Program PWSCF v.5.1.1 starts on 18Jul2015 at 1:27:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Bi2Pt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 144 54 15 7404 1708 261 Max 145 55 16 7407 1731 266 Sum 4615 1735 499 236987 55133 8455 bravais-lattice index = 14 lattice parameter (alat) = 12.4212 a.u. unit-cell volume = 1557.0162 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.421169 celldm(2)= 1.000000 celldm(3)= 0.938156 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 0.938156 ) 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 1.065921 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 Bi 5.00 208.98040 Bi( 1.00) Pt 10.00 195.08400 Pt( 1.00) 6 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 -6 -5 3s_v 5 -4 6 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 239 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0178571 0.0103098 -0.0000000), wk = 0.0041841 k( 3) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0041841 k( 4) = ( 0.0535714 0.0309295 -0.0000000), wk = 0.0041841 k( 5) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0041841 k( 6) = ( 0.0892857 0.0515491 -0.0000000), wk = 0.0041841 k( 7) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0041841 k( 8) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0041841 k( 9) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0041841 k( 10) = ( 0.1607143 0.0927884 -0.0000000), wk = 0.0041841 k( 11) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0041841 k( 12) = ( 0.1964286 0.1134081 -0.0000000), wk = 0.0041841 k( 13) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0041841 k( 14) = ( 0.2321429 0.1340277 -0.0000000), wk = 0.0041841 k( 15) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0041841 k( 16) = ( 0.2678571 0.1546474 -0.0000000), wk = 0.0041841 k( 17) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0041841 k( 18) = ( 0.3035714 0.1752670 -0.0000000), wk = 0.0041841 k( 19) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0041841 k( 20) = ( 0.3392857 0.1958867 -0.0000000), wk = 0.0041841 k( 21) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0041841 k( 22) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0041841 k( 23) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0041841 k( 24) = ( 0.4107143 0.2371260 -0.0000000), wk = 0.0041841 k( 25) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0041841 k( 26) = ( 0.4464286 0.2577457 -0.0000000), wk = 0.0041841 k( 27) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0041841 k( 28) = ( 0.4821429 0.2783653 -0.0000000), wk = 0.0041841 k( 29) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041841 k( 30) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041841 k( 31) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0041841 k( 32) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0041841 k( 33) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0041841 k( 34) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0041841 k( 35) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0041841 k( 36) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0041841 k( 37) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0041841 k( 38) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0041841 k( 39) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0041841 k( 40) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0041841 k( 41) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0041841 k( 42) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0041841 k( 43) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0041841 k( 44) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0041841 k( 45) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0041841 k( 46) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041841 k( 47) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041841 k( 48) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0041841 k( 49) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0041841 k( 50) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0041841 k( 51) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0041841 k( 52) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0041841 k( 53) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0041841 k( 54) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0041841 k( 55) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0041841 k( 56) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0041841 k( 57) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0041841 k( 58) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0041841 k( 59) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0041841 k( 60) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0041841 k( 61) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0041841 k( 62) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0041841 k( 63) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0041841 k( 64) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0041841 k( 65) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0041841 k( 66) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0041841 k( 67) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0041841 k( 68) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0041841 k( 69) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0041841 k( 70) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0041841 k( 71) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0041841 k( 72) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0041841 k( 73) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0041841 k( 74) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0041841 k( 75) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0041841 k( 76) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0041841 k( 77) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0041841 k( 78) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0041841 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 80) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 81) = ( 0.0000000 0.0000000 0.0204985), wk = 0.0041841 k( 82) = ( 0.0000000 0.0000000 0.0409970), wk = 0.0041841 k( 83) = ( 0.0000000 0.0000000 0.0614954), wk = 0.0041841 k( 84) = ( 0.0000000 0.0000000 0.0819939), wk = 0.0041841 k( 85) = ( 0.0000000 0.0000000 0.1024924), wk = 0.0041841 k( 86) = ( 0.0000000 0.0000000 0.1229909), wk = 0.0041841 k( 87) = ( 0.0000000 0.0000000 0.1434893), wk = 0.0041841 k( 88) = ( 0.0000000 0.0000000 0.1639878), wk = 0.0041841 k( 89) = ( 0.0000000 0.0000000 0.1844863), wk = 0.0041841 k( 90) = ( 0.0000000 0.0000000 0.2049847), wk = 0.0041841 k( 91) = ( 0.0000000 0.0000000 0.2254832), wk = 0.0041841 k( 92) = ( 0.0000000 0.0000000 0.2459817), wk = 0.0041841 k( 93) = ( 0.0000000 0.0000000 0.2664802), wk = 0.0041841 k( 94) = ( 0.0000000 0.0000000 0.2869787), wk = 0.0041841 k( 95) = ( 0.0000000 0.0000000 0.3074771), wk = 0.0041841 k( 96) = ( 0.0000000 0.0000000 0.3279756), wk = 0.0041841 k( 97) = ( 0.0000000 0.0000000 0.3484741), wk = 0.0041841 k( 98) = ( 0.0000000 0.0000000 0.3689726), wk = 0.0041841 k( 99) = ( 0.0000000 0.0000000 0.3894710), wk = 0.0041841 k( 100) = ( 0.0000000 0.0000000 0.4099695), wk = 0.0041841 k( 101) = ( 0.0000000 0.0000000 0.4304680), wk = 0.0041841 k( 102) = ( 0.0000000 0.0000000 0.4509664), wk = 0.0041841 k( 103) = ( 0.0000000 0.0000000 0.4714649), wk = 0.0041841 k( 104) = ( 0.0000000 0.0000000 0.4919634), wk = 0.0041841 k( 105) = ( 0.0000000 0.0000000 0.5124619), wk = 0.0041841 k( 106) = ( 0.0000000 0.0000000 0.5329604), wk = 0.0041841 k( 107) = ( 0.0000000 0.0000000 0.5329604), wk = 0.0041841 k( 108) = ( 0.0178571 0.0103098 0.5329604), wk = 0.0041841 k( 109) = ( 0.0357143 0.0206197 0.5329604), wk = 0.0041841 k( 110) = ( 0.0535714 0.0309295 0.5329604), wk = 0.0041841 k( 111) = ( 0.0714286 0.0412393 0.5329604), wk = 0.0041841 k( 112) = ( 0.0892857 0.0515491 0.5329604), wk = 0.0041841 k( 113) = ( 0.1071429 0.0618590 0.5329604), wk = 0.0041841 k( 114) = ( 0.1250000 0.0721688 0.5329604), wk = 0.0041841 k( 115) = ( 0.1428571 0.0824786 0.5329604), wk = 0.0041841 k( 116) = ( 0.1607143 0.0927884 0.5329604), wk = 0.0041841 k( 117) = ( 0.1785714 0.1030983 0.5329604), wk = 0.0041841 k( 118) = ( 0.1964286 0.1134081 0.5329604), wk = 0.0041841 k( 119) = ( 0.2142857 0.1237179 0.5329604), wk = 0.0041841 k( 120) = ( 0.2321429 0.1340277 0.5329604), wk = 0.0041841 k( 121) = ( 0.2500000 0.1443376 0.5329604), wk = 0.0041841 k( 122) = ( 0.2678571 0.1546474 0.5329604), wk = 0.0041841 k( 123) = ( 0.2857143 0.1649572 0.5329604), wk = 0.0041841 k( 124) = ( 0.3035714 0.1752670 0.5329604), wk = 0.0041841 k( 125) = ( 0.3214286 0.1855769 0.5329604), wk = 0.0041841 k( 126) = ( 0.3392857 0.1958867 0.5329604), wk = 0.0041841 k( 127) = ( 0.3571429 0.2061965 0.5329604), wk = 0.0041841 k( 128) = ( 0.3750000 0.2165064 0.5329604), wk = 0.0041841 k( 129) = ( 0.3928571 0.2268162 0.5329604), wk = 0.0041841 k( 130) = ( 0.4107143 0.2371260 0.5329604), wk = 0.0041841 k( 131) = ( 0.4285714 0.2474358 0.5329604), wk = 0.0041841 k( 132) = ( 0.4464286 0.2577457 0.5329604), wk = 0.0041841 k( 133) = ( 0.4642857 0.2680555 0.5329604), wk = 0.0041841 k( 134) = ( 0.4821429 0.2783653 0.5329604), wk = 0.0041841 k( 135) = ( 0.5000000 0.2886751 0.5329604), wk = 0.0041841 k( 136) = ( 0.5000000 0.2886751 0.5329604), wk = 0.0041841 k( 137) = ( 0.4895833 0.3067173 0.5329604), wk = 0.0041841 k( 138) = ( 0.4791667 0.3247595 0.5329604), wk = 0.0041841 k( 139) = ( 0.4687500 0.3428017 0.5329604), wk = 0.0041841 k( 140) = ( 0.4583333 0.3608439 0.5329604), wk = 0.0041841 k( 141) = ( 0.4479167 0.3788861 0.5329604), wk = 0.0041841 k( 142) = ( 0.4375000 0.3969283 0.5329604), wk = 0.0041841 k( 143) = ( 0.4270833 0.4149705 0.5329604), wk = 0.0041841 k( 144) = ( 0.4166667 0.4330127 0.5329604), wk = 0.0041841 k( 145) = ( 0.4062500 0.4510549 0.5329604), wk = 0.0041841 k( 146) = ( 0.3958333 0.4690971 0.5329604), wk = 0.0041841 k( 147) = ( 0.3854167 0.4871393 0.5329604), wk = 0.0041841 k( 148) = ( 0.3750000 0.5051815 0.5329604), wk = 0.0041841 k( 149) = ( 0.3645833 0.5232237 0.5329604), wk = 0.0041841 k( 150) = ( 0.3541667 0.5412659 0.5329604), wk = 0.0041841 k( 151) = ( 0.3437500 0.5593081 0.5329604), wk = 0.0041841 k( 152) = ( 0.3333333 0.5773503 0.5329604), wk = 0.0041841 k( 153) = ( 0.3333333 0.5773503 0.5329604), wk = 0.0041841 k( 154) = ( 0.3229167 0.5593081 0.5329604), wk = 0.0041841 k( 155) = ( 0.3125000 0.5412659 0.5329604), wk = 0.0041841 k( 156) = ( 0.3020833 0.5232237 0.5329604), wk = 0.0041841 k( 157) = ( 0.2916667 0.5051815 0.5329604), wk = 0.0041841 k( 158) = ( 0.2812500 0.4871393 0.5329604), wk = 0.0041841 k( 159) = ( 0.2708333 0.4690971 0.5329604), wk = 0.0041841 k( 160) = ( 0.2604167 0.4510549 0.5329604), wk = 0.0041841 k( 161) = ( 0.2500000 0.4330127 0.5329604), wk = 0.0041841 k( 162) = ( 0.2395833 0.4149705 0.5329604), wk = 0.0041841 k( 163) = ( 0.2291667 0.3969283 0.5329604), wk = 0.0041841 k( 164) = ( 0.2187500 0.3788861 0.5329604), wk = 0.0041841 k( 165) = ( 0.2083333 0.3608439 0.5329604), wk = 0.0041841 k( 166) = ( 0.1979167 0.3428017 0.5329604), wk = 0.0041841 k( 167) = ( 0.1875000 0.3247595 0.5329604), wk = 0.0041841 k( 168) = ( 0.1770833 0.3067173 0.5329604), wk = 0.0041841 k( 169) = ( 0.1666667 0.2886751 0.5329604), wk = 0.0041841 k( 170) = ( 0.1562500 0.2706329 0.5329604), wk = 0.0041841 k( 171) = ( 0.1458333 0.2525907 0.5329604), wk = 0.0041841 k( 172) = ( 0.1354167 0.2345486 0.5329604), wk = 0.0041841 k( 173) = ( 0.1250000 0.2165064 0.5329604), wk = 0.0041841 k( 174) = ( 0.1145833 0.1984641 0.5329604), wk = 0.0041841 k( 175) = ( 0.1041667 0.1804220 0.5329604), wk = 0.0041841 k( 176) = ( 0.0937500 0.1623798 0.5329604), wk = 0.0041841 k( 177) = ( 0.0833333 0.1443376 0.5329604), wk = 0.0041841 k( 178) = ( 0.0729167 0.1262954 0.5329604), wk = 0.0041841 k( 179) = ( 0.0625000 0.1082532 0.5329604), wk = 0.0041841 k( 180) = ( 0.0520833 0.0902110 0.5329604), wk = 0.0041841 k( 181) = ( 0.0416667 0.0721688 0.5329604), wk = 0.0041841 k( 182) = ( 0.0312500 0.0541266 0.5329604), wk = 0.0041841 k( 183) = ( 0.0208333 0.0360844 0.5329604), wk = 0.0041841 k( 184) = ( 0.0104167 0.0180422 0.5329604), wk = 0.0041841 k( 185) = ( 0.0000000 0.0000000 0.5329604), wk = 0.0041841 k( 186) = ( 0.5000000 0.2886751 0.5329604), wk = 0.0041841 k( 187) = ( 0.5000000 0.2886751 0.5124619), wk = 0.0041841 k( 188) = ( 0.5000000 0.2886751 0.4919634), wk = 0.0041841 k( 189) = ( 0.5000000 0.2886751 0.4714649), wk = 0.0041841 k( 190) = ( 0.5000000 0.2886751 0.4509664), wk = 0.0041841 k( 191) = ( 0.5000000 0.2886751 0.4304680), wk = 0.0041841 k( 192) = ( 0.5000000 0.2886751 0.4099695), wk = 0.0041841 k( 193) = ( 0.5000000 0.2886751 0.3894710), wk = 0.0041841 k( 194) = ( 0.5000000 0.2886751 0.3689726), wk = 0.0041841 k( 195) = ( 0.5000000 0.2886751 0.3484741), wk = 0.0041841 k( 196) = ( 0.5000000 0.2886751 0.3279756), wk = 0.0041841 k( 197) = ( 0.5000000 0.2886751 0.3074771), wk = 0.0041841 k( 198) = ( 0.5000000 0.2886751 0.2869787), wk = 0.0041841 k( 199) = ( 0.5000000 0.2886751 0.2664802), wk = 0.0041841 k( 200) = ( 0.5000000 0.2886751 0.2459817), wk = 0.0041841 k( 201) = ( 0.5000000 0.2886751 0.2254832), wk = 0.0041841 k( 202) = ( 0.5000000 0.2886751 0.2049847), wk = 0.0041841 k( 203) = ( 0.5000000 0.2886751 0.1844863), wk = 0.0041841 k( 204) = ( 0.5000000 0.2886751 0.1639878), wk = 0.0041841 k( 205) = ( 0.5000000 0.2886751 0.1434893), wk = 0.0041841 k( 206) = ( 0.5000000 0.2886751 0.1229909), wk = 0.0041841 k( 207) = ( 0.5000000 0.2886751 0.1024924), wk = 0.0041841 k( 208) = ( 0.5000000 0.2886751 0.0819939), wk = 0.0041841 k( 209) = ( 0.5000000 0.2886751 0.0614954), wk = 0.0041841 k( 210) = ( 0.5000000 0.2886751 0.0409970), wk = 0.0041841 k( 211) = ( 0.5000000 0.2886751 0.0204985), wk = 0.0041841 k( 212) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041841 k( 213) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041841 k( 214) = ( 0.3333333 0.5773503 0.0204985), wk = 0.0041841 k( 215) = ( 0.3333333 0.5773503 0.0409970), wk = 0.0041841 k( 216) = ( 0.3333333 0.5773503 0.0614954), wk = 0.0041841 k( 217) = ( 0.3333333 0.5773503 0.0819939), wk = 0.0041841 k( 218) = ( 0.3333333 0.5773503 0.1024924), wk = 0.0041841 k( 219) = ( 0.3333333 0.5773503 0.1229909), wk = 0.0041841 k( 220) = ( 0.3333333 0.5773503 0.1434893), wk = 0.0041841 k( 221) = ( 0.3333333 0.5773503 0.1639878), wk = 0.0041841 k( 222) = ( 0.3333333 0.5773503 0.1844863), wk = 0.0041841 k( 223) = ( 0.3333333 0.5773503 0.2049847), wk = 0.0041841 k( 224) = ( 0.3333333 0.5773503 0.2254832), wk = 0.0041841 k( 225) = ( 0.3333333 0.5773503 0.2459817), wk = 0.0041841 k( 226) = ( 0.3333333 0.5773503 0.2664802), wk = 0.0041841 k( 227) = ( 0.3333333 0.5773503 0.2869787), wk = 0.0041841 k( 228) = ( 0.3333333 0.5773503 0.3074771), wk = 0.0041841 k( 229) = ( 0.3333333 0.5773503 0.3279756), wk = 0.0041841 k( 230) = ( 0.3333333 0.5773503 0.3484741), wk = 0.0041841 k( 231) = ( 0.3333333 0.5773503 0.3689726), wk = 0.0041841 k( 232) = ( 0.3333333 0.5773503 0.3894710), wk = 0.0041841 k( 233) = ( 0.3333333 0.5773503 0.4099695), wk = 0.0041841 k( 234) = ( 0.3333333 0.5773503 0.4304680), wk = 0.0041841 k( 235) = ( 0.3333333 0.5773503 0.4509664), wk = 0.0041841 k( 236) = ( 0.3333333 0.5773503 0.4714649), wk = 0.0041841 k( 237) = ( 0.3333333 0.5773503 0.4919634), wk = 0.0041841 k( 238) = ( 0.3333333 0.5773503 0.5124619), wk = 0.0041841 k( 239) = ( 0.3333333 0.5773503 0.5329604), wk = 0.0041841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0178571 0.0000000 -0.0000000), wk = 0.0041841 k( 3) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0041841 k( 4) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0041841 k( 5) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0041841 k( 6) = ( 0.0892857 0.0000000 -0.0000000), wk = 0.0041841 k( 7) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0041841 k( 8) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0041841 k( 9) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0041841 k( 10) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0041841 k( 11) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0041841 k( 12) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0041841 k( 13) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0041841 k( 14) = ( 0.2321429 0.0000000 -0.0000000), wk = 0.0041841 k( 15) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0041841 k( 16) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0041841 k( 17) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0041841 k( 18) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0041841 k( 19) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0041841 k( 20) = ( 0.3392857 0.0000000 -0.0000000), wk = 0.0041841 k( 21) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0041841 k( 22) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0041841 k( 23) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0041841 k( 24) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0041841 k( 25) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0041841 k( 26) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0041841 k( 27) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0041841 k( 28) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0041841 k( 29) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041841 k( 30) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041841 k( 31) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0041841 k( 32) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0041841 k( 33) = ( 0.4687500 0.0625000 -0.0000000), wk = 0.0041841 k( 34) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0041841 k( 35) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0041841 k( 36) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0041841 k( 37) = ( 0.4270833 0.1458333 0.0000000), wk = 0.0041841 k( 38) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0041841 k( 39) = ( 0.4062500 0.1875000 -0.0000000), wk = 0.0041841 k( 40) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0041841 k( 41) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0041841 k( 42) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0041841 k( 43) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0041841 k( 44) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0041841 k( 45) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0041841 k( 46) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0041841 k( 47) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0041841 k( 48) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0041841 k( 49) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0041841 k( 50) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0041841 k( 51) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0041841 k( 52) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0041841 k( 53) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0041841 k( 54) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0041841 k( 55) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0041841 k( 56) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0041841 k( 57) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0041841 k( 58) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0041841 k( 59) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0041841 k( 60) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0041841 k( 61) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0041841 k( 62) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0041841 k( 63) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0041841 k( 64) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0041841 k( 65) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0041841 k( 66) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0041841 k( 67) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0041841 k( 68) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0041841 k( 69) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0041841 k( 70) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0041841 k( 71) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0041841 k( 72) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0041841 k( 73) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0041841 k( 74) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0041841 k( 75) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0041841 k( 76) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0041841 k( 77) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0041841 k( 78) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0041841 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 80) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 81) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0041841 k( 82) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0041841 k( 83) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0041841 k( 84) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0041841 k( 85) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0041841 k( 86) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0041841 k( 87) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0041841 k( 88) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0041841 k( 89) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0041841 k( 90) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0041841 k( 91) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0041841 k( 92) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0041841 k( 93) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0041841 k( 94) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0041841 k( 95) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0041841 k( 96) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0041841 k( 97) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0041841 k( 98) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0041841 k( 99) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0041841 k( 100) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0041841 k( 101) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0041841 k( 102) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0041841 k( 103) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0041841 k( 104) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0041841 k( 105) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0041841 k( 106) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 107) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 108) = ( 0.0178571 0.0000000 0.5000000), wk = 0.0041841 k( 109) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0041841 k( 110) = ( 0.0535714 0.0000000 0.5000000), wk = 0.0041841 k( 111) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0041841 k( 112) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0041841 k( 113) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0041841 k( 114) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0041841 k( 115) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0041841 k( 116) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0041841 k( 117) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0041841 k( 118) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0041841 k( 119) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0041841 k( 120) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0041841 k( 121) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0041841 k( 122) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0041841 k( 123) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0041841 k( 124) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0041841 k( 125) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0041841 k( 126) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0041841 k( 127) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0041841 k( 128) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0041841 k( 129) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0041841 k( 130) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0041841 k( 131) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0041841 k( 132) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0041841 k( 133) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0041841 k( 134) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0041841 k( 135) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 k( 136) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 k( 137) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0041841 k( 138) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0041841 k( 139) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0041841 k( 140) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0041841 k( 141) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0041841 k( 142) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0041841 k( 143) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0041841 k( 144) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0041841 k( 145) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0041841 k( 146) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0041841 k( 147) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0041841 k( 148) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0041841 k( 149) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0041841 k( 150) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0041841 k( 151) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0041841 k( 152) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041841 k( 153) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041841 k( 154) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0041841 k( 155) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0041841 k( 156) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0041841 k( 157) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0041841 k( 158) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0041841 k( 159) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0041841 k( 160) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0041841 k( 161) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0041841 k( 162) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0041841 k( 163) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0041841 k( 164) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0041841 k( 165) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0041841 k( 166) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0041841 k( 167) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0041841 k( 168) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0041841 k( 169) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0041841 k( 170) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0041841 k( 171) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0041841 k( 172) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0041841 k( 173) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0041841 k( 174) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0041841 k( 175) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0041841 k( 176) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0041841 k( 177) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0041841 k( 178) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0041841 k( 179) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0041841 k( 180) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0041841 k( 181) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0041841 k( 182) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0041841 k( 183) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0041841 k( 184) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0041841 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 k( 187) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0041841 k( 188) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0041841 k( 189) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0041841 k( 190) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0041841 k( 191) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0041841 k( 192) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0041841 k( 193) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0041841 k( 194) = ( 0.5000000 0.0000000 0.3461539), wk = 0.0041841 k( 195) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0041841 k( 196) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0041841 k( 197) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0041841 k( 198) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0041841 k( 199) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0041841 k( 200) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0041841 k( 201) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0041841 k( 202) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0041841 k( 203) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0041841 k( 204) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0041841 k( 205) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0041841 k( 206) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0041841 k( 207) = ( 0.5000000 0.0000000 0.0961539), wk = 0.0041841 k( 208) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0041841 k( 209) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0041841 k( 210) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0041841 k( 211) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0041841 k( 212) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041841 k( 213) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0041841 k( 214) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0041841 k( 215) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0041841 k( 216) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0041841 k( 217) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0041841 k( 218) = ( 0.3333333 0.3333333 0.0961539), wk = 0.0041841 k( 219) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0041841 k( 220) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0041841 k( 221) = ( 0.3333333 0.3333333 0.1538462), wk = 0.0041841 k( 222) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0041841 k( 223) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0041841 k( 224) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0041841 k( 225) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0041841 k( 226) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0041841 k( 227) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0041841 k( 228) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0041841 k( 229) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0041841 k( 230) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0041841 k( 231) = ( 0.3333333 0.3333333 0.3461539), wk = 0.0041841 k( 232) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0041841 k( 233) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0041841 k( 234) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0041841 k( 235) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0041841 k( 236) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0041841 k( 237) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0041841 k( 238) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0041841 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041841 Dense grid: 236987 G-vectors FFT dimensions: ( 90, 90, 80) Smooth grid: 55133 G-vectors FFT dimensions: ( 54, 54, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 452, 72) NL pseudopotentials 0.68 Mb ( 226, 198) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.06 Mb ( 7406) G-vector shells 0.03 Mb ( 3364) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.99 Mb ( 452, 288) Each subspace H/S matrix 1.27 Mb ( 288, 288) Each matrix 0.44 Mb ( 198, 2, 72) The potential is recalculated from file : ./Bi2Pt.save/charge-density.dat Starting wfc are 102 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.6 secs Computing kpt #: 2 total cpu time spent up to now is 12.2 secs Computing kpt #: 3 total cpu time spent up to now is 16.5 secs Computing kpt #: 4 total cpu time spent up to now is 20.1 secs Computing kpt #: 5 total cpu time spent up to now is 23.7 secs Computing kpt #: 6 total cpu time spent up to now is 27.2 secs Computing kpt #: 7 total cpu time spent up to now is 30.7 secs Computing kpt #: 8 total cpu time spent up to now is 34.1 secs Computing kpt #: 9 total cpu time spent up to now is 37.4 secs Computing kpt #: 10 total cpu time spent up to now is 40.6 secs Computing kpt #: 11 total cpu time spent up to now is 43.8 secs Computing kpt #: 12 total cpu time spent up to now is 47.1 secs Computing kpt #: 13 total cpu time spent up to now is 50.4 secs Computing kpt #: 14 total cpu time spent up to now is 53.8 secs Computing kpt #: 15 total cpu time spent up to now is 57.3 secs Computing kpt #: 16 total cpu time spent up to now is 60.9 secs Computing kpt #: 17 total cpu time spent up to now is 64.5 secs Computing kpt #: 18 total cpu time spent up to now is 68.3 secs Computing kpt #: 19 total cpu time spent up to now is 72.0 secs Computing kpt #: 20 total cpu time spent up to now is 76.0 secs Computing kpt #: 21 total cpu time spent up to now is 80.1 secs Computing kpt #: 22 total cpu time spent up to now is 84.1 secs Computing kpt #: 23 total cpu time spent up to now is 87.8 secs Computing kpt #: 24 total cpu time spent up to now is 91.4 secs Computing kpt #: 25 total cpu time spent up to now is 94.9 secs Computing kpt #: 26 total cpu time spent up to now is 98.2 secs Computing kpt #: 27 total cpu time spent up to now is 101.4 secs Computing kpt #: 28 total cpu time spent up to now is 104.4 secs Computing kpt #: 29 total cpu time spent up to now is 107.5 secs Computing kpt #: 30 total cpu time spent up to now is 110.5 secs Computing kpt #: 31 total cpu time spent up to now is 113.6 secs Computing kpt #: 32 total cpu time spent up to now is 116.7 secs Computing kpt #: 33 total cpu time spent up to now is 120.0 secs Computing kpt #: 34 total cpu time spent up to now is 123.2 secs Computing kpt #: 35 total cpu time spent up to now is 126.4 secs Computing kpt #: 36 total cpu time spent up to now is 129.7 secs Computing kpt #: 37 total cpu time spent up to now is 133.2 secs Computing kpt #: 38 total cpu time spent up to now is 136.7 secs Computing kpt #: 39 total cpu time spent up to now is 140.2 secs Computing kpt #: 40 total cpu time spent up to now is 143.7 secs Computing kpt #: 41 total cpu time spent up to now is 147.2 secs Computing kpt #: 42 total cpu time spent up to now is 150.5 secs Computing kpt #: 43 total cpu time spent up to now is 153.7 secs Computing kpt #: 44 total cpu time spent up to now is 156.9 secs Computing kpt #: 45 total cpu time spent up to now is 160.0 secs Computing kpt #: 46 total cpu time spent up to now is 163.2 secs Computing kpt #: 47 total cpu time spent up to now is 166.3 secs Computing kpt #: 48 total cpu time spent up to now is 169.5 secs Computing kpt #: 49 total cpu time spent up to now is 172.7 secs Computing kpt #: 50 total cpu time spent up to now is 175.9 secs Computing kpt #: 51 total cpu time spent up to now is 179.5 secs Computing kpt #: 52 total cpu time spent up to now is 183.0 secs Computing kpt #: 53 total cpu time spent up to now is 186.6 secs Computing kpt #: 54 total cpu time spent up to now is 190.4 secs Computing kpt #: 55 total cpu time spent up to now is 194.1 secs Computing kpt #: 56 total cpu time spent up to now is 197.9 secs Computing kpt #: 57 total cpu time spent up to now is 201.7 secs Computing kpt #: 58 total cpu time spent up to now is 205.2 secs Computing kpt #: 59 total cpu time spent up to now is 208.8 secs Computing kpt #: 60 total cpu time spent up to now is 212.1 secs Computing kpt #: 61 total cpu time spent up to now is 215.6 secs Computing kpt #: 62 total cpu time spent up to now is 219.1 secs Computing kpt #: 63 total cpu time spent up to now is 222.7 secs Computing kpt #: 64 total cpu time spent up to now is 226.6 secs Computing kpt #: 65 total cpu time spent up to now is 232.0 secs Computing kpt #: 66 total cpu time spent up to now is 235.2 secs Computing kpt #: 67 total cpu time spent up to now is 238.5 secs Computing kpt #: 68 total cpu time spent up to now is 241.7 secs Computing kpt #: 69 total cpu time spent up to now is 244.9 secs Computing kpt #: 70 total cpu time spent up to now is 248.1 secs Computing kpt #: 71 total cpu time spent up to now is 251.4 secs Computing kpt #: 72 total cpu time spent up to now is 254.8 secs Computing kpt #: 73 total cpu time spent up to now is 258.4 secs Computing kpt #: 74 total cpu time spent up to now is 261.9 secs Computing kpt #: 75 total cpu time spent up to now is 265.4 secs Computing kpt #: 76 total cpu time spent up to now is 269.1 secs Computing kpt #: 77 total cpu time spent up to now is 272.7 secs Computing kpt #: 78 total cpu time spent up to now is 277.2 secs Computing kpt #: 79 total cpu time spent up to now is 281.6 secs Computing kpt #: 80 total cpu time spent up to now is 285.0 secs Computing kpt #: 81 total cpu time spent up to now is 288.5 secs Computing kpt #: 82 total cpu time spent up to now is 292.0 secs Computing kpt #: 83 total cpu time spent up to now is 295.8 secs Computing kpt #: 84 total cpu time spent up to now is 299.2 secs Computing kpt #: 85 total cpu time spent up to now is 302.6 secs Computing kpt #: 86 total cpu time spent up to now is 306.0 secs Computing kpt #: 87 total cpu time spent up to now is 309.4 secs Computing kpt #: 88 total cpu time spent up to now is 312.7 secs Computing kpt #: 89 total cpu time spent up to now is 316.1 secs Computing kpt #: 90 total cpu time spent up to now is 319.2 secs Computing kpt #: 91 total cpu time spent up to now is 322.4 secs Computing kpt #: 92 total cpu time spent up to now is 325.6 secs Computing kpt #: 93 total cpu time spent up to now is 328.8 secs Computing kpt #: 94 total cpu time spent up to now is 332.1 secs Computing kpt #: 95 total cpu time spent up to now is 335.4 secs Computing kpt #: 96 total cpu time spent up to now is 338.7 secs Computing kpt #: 97 total cpu time spent up to now is 342.3 secs Computing kpt #: 98 total cpu time spent up to now is 345.8 secs Computing kpt #: 99 total cpu time spent up to now is 349.4 secs Computing kpt #: 100 total cpu time spent up to now is 353.0 secs Computing kpt #: 101 total cpu time spent up to now is 356.7 secs Computing kpt #: 102 total cpu time spent up to now is 360.3 secs Computing kpt #: 103 total cpu time spent up to now is 363.9 secs Computing kpt #: 104 total cpu time spent up to now is 367.4 secs Computing kpt #: 105 total cpu time spent up to now is 371.0 secs Computing kpt #: 106 total cpu time spent up to now is 374.3 secs Computing kpt #: 107 total cpu time spent up to now is 377.8 secs Computing kpt #: 108 total cpu time spent up to now is 381.3 secs Computing kpt #: 109 total cpu time spent up to now is 384.8 secs Computing kpt #: 110 total cpu time spent up to now is 388.2 secs Computing kpt #: 111 total cpu time spent up to now is 391.6 secs Computing kpt #: 112 total cpu time spent up to now is 395.0 secs Computing kpt #: 113 total cpu time spent up to now is 398.4 secs Computing kpt #: 114 total cpu time spent up to now is 401.7 secs Computing kpt #: 115 total cpu time spent up to now is 405.1 secs Computing kpt #: 116 total cpu time spent up to now is 408.5 secs Computing kpt #: 117 total cpu time spent up to now is 411.9 secs Computing kpt #: 118 total cpu time spent up to now is 415.5 secs Computing kpt #: 119 total cpu time spent up to now is 419.1 secs Computing kpt #: 120 total cpu time spent up to now is 422.7 secs Computing kpt #: 121 total cpu time spent up to now is 426.3 secs Computing kpt #: 122 total cpu time spent up to now is 429.9 secs Computing kpt #: 123 total cpu time spent up to now is 433.5 secs Computing kpt #: 124 total cpu time spent up to now is 437.1 secs Computing kpt #: 125 total cpu time spent up to now is 440.7 secs Computing kpt #: 126 total cpu time spent up to now is 444.2 secs Computing kpt #: 127 total cpu time spent up to now is 447.9 secs Computing kpt #: 128 total cpu time spent up to now is 451.4 secs Computing kpt #: 129 total cpu time spent up to now is 455.1 secs Computing kpt #: 130 total cpu time spent up to now is 458.7 secs Computing kpt #: 131 total cpu time spent up to now is 462.1 secs Computing kpt #: 132 total cpu time spent up to now is 465.4 secs Computing kpt #: 133 total cpu time spent up to now is 468.6 secs Computing kpt #: 134 total cpu time spent up to now is 471.9 secs Computing kpt #: 135 total cpu time spent up to now is 475.1 secs Computing kpt #: 136 total cpu time spent up to now is 478.3 secs Computing kpt #: 137 total cpu time spent up to now is 481.5 secs Computing kpt #: 138 total cpu time spent up to now is 484.8 secs Computing kpt #: 139 total cpu time spent up to now is 488.1 secs Computing kpt #: 140 total cpu time spent up to now is 491.4 secs Computing kpt #: 141 total cpu time spent up to now is 494.8 secs Computing kpt #: 142 total cpu time spent up to now is 498.4 secs Computing kpt #: 143 total cpu time spent up to now is 502.1 secs Computing kpt #: 144 total cpu time spent up to now is 505.8 secs Computing kpt #: 145 total cpu time spent up to now is 509.5 secs Computing kpt #: 146 total cpu time spent up to now is 513.2 secs Computing kpt #: 147 total cpu time spent up to now is 516.9 secs Computing kpt #: 148 total cpu time spent up to now is 520.4 secs Computing kpt #: 149 total cpu time spent up to now is 523.9 secs Computing kpt #: 150 total cpu time spent up to now is 528.7 secs Computing kpt #: 151 total cpu time spent up to now is 533.1 secs Computing kpt #: 152 total cpu time spent up to now is 536.5 secs Computing kpt #: 153 total cpu time spent up to now is 539.9 secs Computing kpt #: 154 total cpu time spent up to now is 543.4 secs Computing kpt #: 155 total cpu time spent up to now is 546.8 secs Computing kpt #: 156 total cpu time spent up to now is 550.3 secs Computing kpt #: 157 total cpu time spent up to now is 553.8 secs Computing kpt #: 158 total cpu time spent up to now is 557.6 secs Computing kpt #: 159 total cpu time spent up to now is 561.3 secs Computing kpt #: 160 total cpu time spent up to now is 565.0 secs Computing kpt #: 161 total cpu time spent up to now is 568.8 secs Computing kpt #: 162 total cpu time spent up to now is 572.4 secs Computing kpt #: 163 total cpu time spent up to now is 576.1 secs Computing kpt #: 164 total cpu time spent up to now is 579.7 secs Computing kpt #: 165 total cpu time spent up to now is 583.3 secs Computing kpt #: 166 total cpu time spent up to now is 586.8 secs Computing kpt #: 167 total cpu time spent up to now is 590.4 secs Computing kpt #: 168 total cpu time spent up to now is 593.9 secs Computing kpt #: 169 total cpu time spent up to now is 597.3 secs Computing kpt #: 170 total cpu time spent up to now is 600.6 secs Computing kpt #: 171 total cpu time spent up to now is 603.9 secs Computing kpt #: 172 total cpu time spent up to now is 607.2 secs Computing kpt #: 173 total cpu time spent up to now is 610.6 secs Computing kpt #: 174 total cpu time spent up to now is 614.0 secs Computing kpt #: 175 total cpu time spent up to now is 617.3 secs Computing kpt #: 176 total cpu time spent up to now is 620.6 secs Computing kpt #: 177 total cpu time spent up to now is 624.0 secs Computing kpt #: 178 total cpu time spent up to now is 627.4 secs Computing kpt #: 179 total cpu time spent up to now is 630.7 secs Computing kpt #: 180 total cpu time spent up to now is 634.1 secs Computing kpt #: 181 total cpu time spent up to now is 637.6 secs Computing kpt #: 182 total cpu time spent up to now is 641.0 secs Computing kpt #: 183 total cpu time spent up to now is 644.4 secs Computing kpt #: 184 total cpu time spent up to now is 648.0 secs Computing kpt #: 185 total cpu time spent up to now is 651.4 secs Computing kpt #: 186 total cpu time spent up to now is 654.6 secs Computing kpt #: 187 total cpu time spent up to now is 657.9 secs Computing kpt #: 188 total cpu time spent up to now is 661.5 secs Computing kpt #: 189 total cpu time spent up to now is 665.2 secs Computing kpt #: 190 total cpu time spent up to now is 670.0 secs Computing kpt #: 191 total cpu time spent up to now is 673.9 secs Computing kpt #: 192 total cpu time spent up to now is 677.5 secs Computing kpt #: 193 total cpu time spent up to now is 681.1 secs Computing kpt #: 194 total cpu time spent up to now is 684.7 secs Computing kpt #: 195 total cpu time spent up to now is 688.3 secs Computing kpt #: 196 total cpu time spent up to now is 691.8 secs Computing kpt #: 197 total cpu time spent up to now is 695.3 secs Computing kpt #: 198 total cpu time spent up to now is 698.6 secs Computing kpt #: 199 total cpu time spent up to now is 701.9 secs Computing kpt #: 200 total cpu time spent up to now is 705.1 secs Computing kpt #: 201 total cpu time spent up to now is 708.3 secs Computing kpt #: 202 total cpu time spent up to now is 711.6 secs Computing kpt #: 203 total cpu time spent up to now is 714.8 secs Computing kpt #: 204 total cpu time spent up to now is 718.0 secs Computing kpt #: 205 total cpu time spent up to now is 721.2 secs Computing kpt #: 206 total cpu time spent up to now is 724.4 secs Computing kpt #: 207 total cpu time spent up to now is 727.6 secs Computing kpt #: 208 total cpu time spent up to now is 730.8 secs Computing kpt #: 209 total cpu time spent up to now is 734.0 secs Computing kpt #: 210 total cpu time spent up to now is 737.1 secs Computing kpt #: 211 total cpu time spent up to now is 740.2 secs Computing kpt #: 212 total cpu time spent up to now is 743.2 secs Computing kpt #: 213 total cpu time spent up to now is 746.4 secs Computing kpt #: 214 total cpu time spent up to now is 749.5 secs Computing kpt #: 215 total cpu time spent up to now is 752.7 secs Computing kpt #: 216 total cpu time spent up to now is 755.9 secs Computing kpt #: 217 total cpu time spent up to now is 759.0 secs Computing kpt #: 218 total cpu time spent up to now is 762.2 secs Computing kpt #: 219 total cpu time spent up to now is 765.4 secs Computing kpt #: 220 total cpu time spent up to now is 768.7 secs Computing kpt #: 221 total cpu time spent up to now is 771.9 secs Computing kpt #: 222 total cpu time spent up to now is 775.4 secs Computing kpt #: 223 total cpu time spent up to now is 778.9 secs Computing kpt #: 224 total cpu time spent up to now is 782.4 secs Computing kpt #: 225 total cpu time spent up to now is 786.0 secs Computing kpt #: 226 total cpu time spent up to now is 789.7 secs Computing kpt #: 227 total cpu time spent up to now is 793.3 secs Computing kpt #: 228 total cpu time spent up to now is 796.9 secs Computing kpt #: 229 total cpu time spent up to now is 800.4 secs Computing kpt #: 230 total cpu time spent up to now is 803.8 secs Computing kpt #: 231 total cpu time spent up to now is 807.1 secs Computing kpt #: 232 total cpu time spent up to now is 810.5 secs Computing kpt #: 233 total cpu time spent up to now is 813.8 secs Computing kpt #: 234 total cpu time spent up to now is 817.1 secs Computing kpt #: 235 total cpu time spent up to now is 820.4 secs Computing kpt #: 236 total cpu time spent up to now is 823.9 secs Computing kpt #: 237 total cpu time spent up to now is 829.2 secs Computing kpt #: 238 total cpu time spent up to now is 833.2 secs Computing kpt #: 239 total cpu time spent up to now is 836.5 secs ethr = 1.67E-11, avg # of iterations = 42.8 total cpu time spent up to now is 836.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6875 PWs) bands (ev): -4.1519 -4.1519 -1.6923 -1.6923 -1.4814 -1.4814 -1.3577 -1.3577 -1.3131 -1.3131 -1.2792 -1.2792 2.7525 2.7525 3.4760 3.4760 3.5065 3.5065 4.0365 4.0365 4.1303 4.1303 4.2137 4.2137 4.2567 4.2567 4.7182 4.7182 4.7433 4.7433 4.8757 4.8757 5.0825 5.0825 5.6505 5.6505 5.7312 5.7312 6.0193 6.0193 6.1023 6.1023 6.4015 6.4015 6.5429 6.5429 6.6302 6.6302 7.6719 7.6719 7.9547 7.9547 7.9924 7.9924 8.0994 8.0994 8.3647 8.3647 8.6565 8.6565 9.3259 9.3259 9.5485 9.5485 9.7219 9.7219 9.8117 9.8117 10.4740 10.4740 11.1557 11.1557 k = 0.0179 0.0103-0.0000 ( 6883 PWs) bands (ev): -4.1505 -4.1505 -1.6933 -1.6928 -1.4822 -1.4815 -1.3703 -1.3690 -1.3080 -1.3073 -1.2770 -1.2743 2.7518 2.7550 3.4755 3.4760 3.5037 3.5096 4.0290 4.0419 4.1359 4.1368 4.2066 4.2109 4.2649 4.2657 4.7169 4.7173 4.7395 4.7490 4.8717 4.8803 5.0787 5.0855 5.6499 5.6499 5.7268 5.7341 6.0167 6.0171 6.1000 6.1085 6.3943 6.4074 6.5221 6.5612 6.6330 6.6338 7.6435 7.6896 7.9222 7.9364 7.9679 8.0293 8.1070 8.1154 8.3561 8.3783 8.6538 8.6548 9.3135 9.3342 9.5465 9.5499 9.6968 9.7564 9.8159 9.8331 10.4689 10.4827 11.1362 11.1490 k = 0.0357 0.0206-0.0000 ( 6879 PWs) bands (ev): -4.1463 -4.1463 -1.6958 -1.6948 -1.4837 -1.4823 -1.3962 -1.3936 -1.3031 -1.3002 -1.2670 -1.2627 2.7530 2.7592 3.4733 3.4768 3.5009 3.5129 4.0225 4.0449 4.1501 4.1547 4.1977 4.2044 4.2829 4.2866 4.7129 4.7154 4.7377 4.7556 4.8686 4.8850 5.0739 5.0878 5.6476 5.6481 5.7206 5.7355 6.0088 6.0116 6.1023 6.1171 6.3855 6.4119 6.5011 6.5747 6.6400 6.6458 7.6074 7.6935 7.8734 7.8827 7.9571 8.0421 8.1172 8.1604 8.3527 8.3983 8.6441 8.6518 9.3002 9.3356 9.5395 9.5605 9.6841 9.7981 9.8461 9.8723 10.4673 10.4948 11.1133 11.1389 k = 0.0536 0.0309-0.0000 ( 6888 PWs) bands (ev): -4.1393 -4.1393 -1.7002 -1.6984 -1.4866 -1.4838 -1.4279 -1.4226 -1.3024 -1.2971 -1.2525 -1.2476 2.7560 2.7653 3.4686 3.4792 3.4974 3.5173 4.0195 4.0478 4.1616 4.1822 4.1941 4.2054 4.3055 4.3135 4.7068 4.7130 4.7371 4.7630 4.8671 4.8896 5.0682 5.0896 5.6434 5.6450 5.7129 5.7354 5.9965 6.0041 6.1083 6.1266 6.3750 6.4153 6.4817 6.5833 6.6502 6.6659 7.5662 7.6812 7.8195 7.8296 7.9345 8.0369 8.1237 8.2125 8.3518 8.4279 8.6263 8.6501 9.2864 9.3325 9.5332 9.5829 9.6853 9.8476 9.8945 9.9207 10.4688 10.5107 11.0879 11.1282 k = 0.0714 0.0412-0.0000 ( 6890 PWs) bands (ev): -4.1295 -4.1294 -1.7067 -1.7042 -1.4937 -1.4854 -1.4633 -1.4512 -1.3037 -1.2964 -1.2373 -1.2322 2.7610 2.7730 3.4611 3.4802 3.4956 3.5244 4.0211 4.0519 4.1629 4.1922 4.2160 4.2268 4.3308 4.3443 4.6997 4.7108 4.7365 4.7709 4.8674 4.8940 5.0616 5.0909 5.6366 5.6404 5.7043 5.7338 5.9813 5.9956 6.1168 6.1360 6.3622 6.4179 6.4653 6.5896 6.6631 6.6914 7.5221 7.6531 7.7673 7.7778 7.9036 8.0152 8.1296 8.2533 8.3558 8.4643 8.6027 8.6511 9.2723 9.3303 9.5346 9.6107 9.7021 9.9035 9.9538 9.9723 10.4726 10.5306 11.0591 11.1146 k = 0.0893 0.0515-0.0000 ( 6916 PWs) bands (ev): -4.1169 -4.1168 -1.7160 -1.7126 -1.5135 -1.5022 -1.4859 -1.4695 -1.3061 -1.2974 -1.2229 -1.2178 2.7680 2.7826 3.4503 3.4717 3.5036 3.5356 4.0269 4.0574 4.1617 4.1952 4.2477 4.2643 4.3582 4.3783 4.6923 4.7089 4.7356 4.7796 4.8702 4.8981 5.0541 5.0921 5.6260 5.6337 5.6960 5.7305 5.9639 5.9865 6.1270 6.1449 6.3472 6.4200 6.4528 6.5952 6.6782 6.7199 7.4766 7.6127 7.7137 7.7322 7.8649 7.9815 8.1365 8.2630 8.3780 8.4888 8.5881 8.6564 9.2609 9.3319 9.5456 9.6382 9.7356 9.9625 10.0163 10.0271 10.4780 10.5548 11.0267 11.0963 k = 0.1071 0.0619-0.0000 ( 6914 PWs) bands (ev): -4.1015 -4.1014 -1.7291 -1.7246 -1.5461 -1.5414 -1.4866 -1.4758 -1.3095 -1.2997 -1.2097 -1.2046 2.7772 2.7941 3.4361 3.4568 3.5193 3.5518 4.0356 4.0634 4.1634 4.2029 4.2797 4.3083 4.3873 4.4145 4.6851 4.7078 4.7344 4.7890 4.8756 4.9022 5.0458 5.0931 5.6100 5.6250 5.6896 5.7253 5.9453 5.9771 6.1384 6.1532 6.3302 6.4220 6.4447 6.6008 6.6954 6.7501 7.4311 7.5658 7.6592 7.6912 7.8189 7.9410 8.1435 8.2432 8.4119 8.4717 8.6076 8.6697 9.2550 9.3380 9.5629 9.6674 9.7818 10.0206 10.0673 10.0950 10.4857 10.5832 10.9906 11.0720 k = 0.1250 0.0722-0.0000 ( 6906 PWs) bands (ev): -4.0833 -4.0832 -1.7478 -1.7419 -1.5828 -1.5793 -1.4862 -1.4777 -1.3138 -1.3033 -1.1977 -1.1928 2.7887 2.8074 3.4188 3.4382 3.5408 3.5733 4.0455 4.0690 4.1695 4.2156 4.3122 4.3538 4.4185 4.4515 4.6784 4.7080 4.7338 4.7993 4.8837 4.9069 5.0369 5.0940 5.5879 5.6140 5.6854 5.7186 5.9257 5.9678 6.1503 6.1608 6.3127 6.4239 6.4415 6.6061 6.7144 6.7813 7.3868 7.5170 7.6055 7.6521 7.7672 7.8973 8.1492 8.2079 8.4180 8.4491 8.6406 8.6993 9.2559 9.3487 9.5807 9.7035 9.8351 10.0730 10.1112 10.1661 10.4979 10.6152 10.9512 11.0427 k = 0.1429 0.0825-0.0000 ( 6912 PWs) bands (ev): -4.0624 -4.0623 -1.7740 -1.7668 -1.6185 -1.6134 -1.4847 -1.4775 -1.3191 -1.3081 -1.1870 -1.1822 2.8025 2.8229 3.3989 3.4172 3.5678 3.6001 4.0553 4.0736 4.1807 4.2326 4.3444 4.3964 4.4520 4.4881 4.6724 4.7099 4.7359 4.8104 4.8940 4.9130 5.0279 5.0948 5.5598 5.6007 5.6826 5.7111 5.9058 5.9591 6.1620 6.1678 6.2960 6.4248 6.4440 6.6110 6.7347 6.8127 7.3446 7.4688 7.5533 7.6135 7.7127 7.8527 8.1527 8.1629 8.3659 8.4598 8.6732 8.7443 9.2623 9.3639 9.5948 9.7485 9.8915 10.1153 10.1483 10.2340 10.5177 10.6499 10.9091 11.0135 k = 0.1607 0.0928-0.0000 ( 6914 PWs) bands (ev): -4.0388 -4.0387 -1.8094 -1.8015 -1.6491 -1.6425 -1.4822 -1.4759 -1.3253 -1.3141 -1.1774 -1.1729 2.8187 2.8404 3.3774 3.3945 3.6001 3.6320 4.0642 4.0774 4.1962 4.2528 4.3758 4.4319 4.4857 4.5249 4.6669 4.7127 4.7443 4.8221 4.9063 4.9221 5.0192 5.0956 5.5266 5.5846 5.6788 5.7052 5.8860 5.9514 6.1728 6.1740 6.2819 6.4251 6.4517 6.6148 6.7558 6.8437 7.3050 7.4230 7.5030 7.5739 7.6587 7.8088 8.1110 8.1532 8.3067 8.4578 8.7096 8.7946 9.2715 9.3827 9.6048 9.8004 9.9469 10.1426 10.1780 10.2951 10.5457 10.6847 10.8680 10.9949 k = 0.1786 0.1031-0.0000 ( 6896 PWs) bands (ev): -4.0124 -4.0123 -1.8541 -1.8462 -1.6737 -1.6662 -1.4785 -1.4730 -1.3323 -1.3211 -1.1690 -1.1647 2.8375 2.8602 3.3548 3.3708 3.6374 3.6686 4.0720 4.0809 4.2147 4.2748 4.4061 4.4593 4.5124 4.5649 4.6618 4.7157 4.7615 4.8331 4.9211 4.9354 5.0117 5.0965 5.4893 5.5657 5.6718 5.7036 5.8668 5.9453 6.1784 6.1824 6.2722 6.4259 6.4635 6.6172 6.7769 6.8735 7.2682 7.3811 7.4545 7.5312 7.6090 7.7668 8.0540 8.1494 8.2466 8.4443 8.7487 8.8447 9.2798 9.4043 9.6121 9.8551 9.9947 10.1505 10.2054 10.3475 10.5739 10.7084 10.8467 10.9992 k = 0.1964 0.1134-0.0000 ( 6902 PWs) bands (ev): -3.9834 -3.9833 -1.9065 -1.8991 -1.6935 -1.6857 -1.4739 -1.4690 -1.3401 -1.3289 -1.1617 -1.1576 2.8588 2.8822 3.3319 3.3468 3.6793 3.7093 4.0781 4.0855 4.2346 4.2970 4.4351 4.4795 4.5291 4.6051 4.6588 4.7198 4.7852 4.8428 4.9389 4.9535 5.0064 5.0982 5.4492 5.5440 5.6626 5.7061 5.8491 5.9411 6.1802 6.1904 6.2679 6.4280 6.4786 6.6180 6.7967 6.9009 7.2342 7.3450 7.4080 7.4840 7.5662 7.7280 7.9936 8.1373 8.1916 8.4234 8.7869 8.8925 9.2837 9.4269 9.6183 9.9078 10.0241 10.1433 10.2360 10.3896 10.5879 10.7090 10.8761 11.0326 k = 0.2143 0.1237-0.0000 ( 6904 PWs) bands (ev): -3.9518 -3.9516 -1.9648 -1.9581 -1.7102 -1.7024 -1.4683 -1.4640 -1.3484 -1.3373 -1.1557 -1.1517 2.8826 2.9064 3.3093 3.3229 3.7254 3.7532 4.0822 4.0921 4.2543 4.3178 4.4621 4.4934 4.5398 4.6286 4.6690 4.7269 4.8085 4.8537 4.9566 4.9783 5.0047 5.1019 5.4081 5.5203 5.6534 5.7110 5.8334 5.9389 6.1796 6.1972 6.2685 6.4316 6.4966 6.6171 6.8138 6.9245 7.2029 7.3168 7.3630 7.4337 7.5299 7.6934 7.9314 8.1018 8.1583 8.3976 8.8210 8.9371 9.2804 9.4485 9.6244 9.9508 10.0269 10.1291 10.2739 10.4162 10.5856 10.7177 10.9436 11.0928 k = 0.2321 0.1340-0.0000 ( 6912 PWs) bands (ev): -3.9176 -3.9174 -2.0274 -2.0214 -1.7249 -1.7172 -1.4621 -1.4581 -1.3570 -1.3461 -1.1507 -1.1469 2.9089 2.9329 3.2876 3.2996 3.7749 3.7994 4.0852 4.1004 4.2726 4.3358 4.4862 4.5020 4.5485 4.6283 4.6922 4.7397 4.8237 4.8721 4.9703 4.9990 5.0178 5.1091 5.3685 5.4960 5.6455 5.7174 5.8204 5.9388 6.1779 6.2027 6.2723 6.4369 6.5165 6.6153 6.8260 6.9422 7.1753 7.2973 7.3191 7.3836 7.4978 7.6638 7.8689 8.0487 8.1425 8.3685 8.8489 8.9776 9.2683 9.4664 9.6299 9.9624 10.0210 10.1126 10.3144 10.4234 10.5969 10.7485 11.0265 11.1725 k = 0.2500 0.1443-0.0000 ( 6912 PWs) bands (ev): -3.8808 -3.8806 -2.0933 -2.0878 -1.7384 -1.7309 -1.4553 -1.4516 -1.3656 -1.3548 -1.1468 -1.1431 2.9375 2.9612 3.2676 3.2774 3.8271 3.8466 4.0877 4.1104 4.2887 4.3495 4.5001 4.5126 4.5566 4.6226 4.7051 4.7586 4.8345 4.8967 4.9777 5.0064 5.0516 5.1216 5.3338 5.4730 5.6398 5.7245 5.8107 5.9407 6.1770 6.2067 6.2773 6.4437 6.5366 6.6140 6.8311 6.9519 7.1539 7.2685 7.2933 7.3366 7.4688 7.6391 7.8076 7.9947 8.1293 8.3370 8.8696 9.0128 9.2481 9.4773 9.6322 9.9262 10.0268 10.0982 10.3453 10.4319 10.6364 10.7939 11.1139 11.2650 k = 0.2679 0.1546-0.0000 ( 6900 PWs) bands (ev): -3.8415 -3.8412 -2.1615 -2.1566 -1.7508 -1.7436 -1.4485 -1.4450 -1.3739 -1.3632 -1.1441 -1.1404 2.9678 2.9911 3.2499 3.2568 3.8809 3.8931 4.0900 4.1226 4.3024 4.3580 4.4998 4.5302 4.5631 4.6170 4.7061 4.7764 4.8486 4.9223 4.9792 5.0160 5.0849 5.1397 5.3088 5.4533 5.6369 5.7321 5.8045 5.9448 6.1779 6.2093 6.2822 6.4516 6.5534 6.6170 6.8273 6.9529 7.1399 7.2218 7.2911 7.2944 7.4436 7.6187 7.7490 7.9447 8.1157 8.3041 8.8824 9.0402 9.2230 9.4776 9.6270 9.8708 10.0249 10.0905 10.3685 10.4594 10.6954 10.8463 11.1993 11.3648 k = 0.2857 0.1650-0.0000 ( 6902 PWs) bands (ev): -3.7998 -3.7995 -2.2316 -2.2272 -1.7624 -1.7555 -1.4420 -1.4387 -1.3811 -1.3706 -1.1424 -1.1388 2.9991 3.0218 3.2353 3.2390 3.9336 3.9381 4.0921 4.1378 4.3136 4.3610 4.4949 4.5441 4.5672 4.6132 4.6983 4.7916 4.8632 4.9445 4.9819 5.0275 5.1102 5.1626 5.2985 5.4386 5.6369 5.7396 5.8019 5.9509 6.1811 6.2104 6.2863 6.4597 6.5623 6.6286 6.8140 6.9472 7.1275 7.1766 7.2553 7.2947 7.4252 7.6005 7.6953 7.9008 8.1013 8.2709 8.8862 9.0553 9.1999 9.4628 9.6101 9.8110 10.0183 10.0926 10.3989 10.4962 10.7652 10.8983 11.2781 11.4671 k = 0.3036 0.1753-0.0000 ( 6902 PWs) bands (ev): -3.7557 -3.7553 -2.3031 -2.2991 -1.7732 -1.7667 -1.4369 -1.4339 -1.3862 -1.3761 -1.1417 -1.1381 3.0296 3.0518 3.2226 3.2286 3.9730 3.9885 4.0950 4.1568 4.3228 4.3595 4.4867 4.5485 4.5705 4.6132 4.6850 4.8057 4.8716 4.9540 4.9981 5.0420 5.1270 5.1868 5.3051 5.4298 5.6401 5.7473 5.8026 5.9589 6.1866 6.2105 6.2889 6.4664 6.5650 6.6467 6.7946 6.9383 7.0959 7.1495 7.2187 7.2978 7.4175 7.5808 7.6502 7.8644 8.0863 8.2391 8.8791 9.0535 9.1884 9.4290 9.5808 9.7549 10.0168 10.1069 10.4388 10.5361 10.8380 10.9447 11.3459 11.5658 k = 0.3214 0.1856-0.0000 ( 6902 PWs) bands (ev): -3.7094 -3.7089 -2.3754 -2.3718 -1.7831 -1.7771 -1.4342 -1.4321 -1.3878 -1.3785 -1.1419 -1.1384 3.0559 3.0786 3.2145 3.2287 4.0026 4.0324 4.1028 4.1794 4.3293 4.3563 4.4753 4.5444 4.5686 4.6196 4.6700 4.8176 4.8710 4.9567 5.0200 5.0645 5.1413 5.2075 5.3248 5.4276 5.6461 5.7555 5.8060 5.9687 6.1929 6.2114 6.2894 6.4700 6.5662 6.6632 6.7769 6.9277 7.0453 7.1355 7.1825 7.2988 7.4210 7.5555 7.6191 7.8358 8.0708 8.2111 8.8572 9.0400 9.1906 9.3742 9.5434 9.7071 10.0253 10.1323 10.4840 10.5777 10.9048 10.9854 11.3948 11.6355 k = 0.3393 0.1959-0.0000 ( 6904 PWs) bands (ev): -3.6608 -3.6603 -2.4483 -2.4450 -1.7923 -1.7867 -1.4346 -1.4337 -1.3852 -1.3773 -1.1430 -1.1395 3.0736 3.0980 3.2178 3.2413 4.0226 4.0552 4.1255 4.2038 4.3288 4.3587 4.4606 4.5371 4.5611 4.6249 4.6596 4.8265 4.8624 4.9614 5.0370 5.0979 5.1586 5.2226 5.3501 5.4333 5.6539 5.7644 5.8117 5.9801 6.1954 6.2176 6.2877 6.4694 6.5669 6.6691 6.7728 6.9148 6.9905 7.1175 7.1468 7.2979 7.4298 7.5297 7.6008 7.8140 8.0555 8.1896 8.8184 9.0276 9.1996 9.3014 9.5037 9.6676 10.0435 10.1658 10.5308 10.6199 10.9524 11.0284 11.4157 11.6803 k = 0.3571 0.2062-0.0000 ( 6906 PWs) bands (ev): -3.6101 -3.6096 -2.5213 -2.5183 -1.8006 -1.7956 -1.4380 -1.4376 -1.3795 -1.3729 -1.1448 -1.1414 3.0812 3.1057 3.2372 3.2666 4.0313 4.0594 4.1564 4.2272 4.3230 4.3690 4.4433 4.5298 4.5536 4.6166 4.6623 4.8325 4.8490 4.9695 5.0516 5.1370 5.1802 5.2321 5.3722 5.4501 5.6615 5.7742 5.8200 5.9927 6.1919 6.2306 6.2840 6.4647 6.5629 6.6663 6.7857 6.8962 6.9389 7.0898 7.1156 7.2925 7.4353 7.5154 7.5900 7.7973 8.0420 8.1769 8.7654 9.0227 9.2020 9.2261 9.4653 9.6342 10.0689 10.2037 10.5762 10.6616 10.9776 11.0765 11.4124 11.7407 k = 0.3750 0.2165-0.0000 ( 6900 PWs) bands (ev): -3.5576 -3.5569 -2.5940 -2.5913 -1.8080 -1.8035 -1.4431 -1.4422 -1.3721 -1.3665 -1.1472 -1.1439 3.0818 3.1039 3.2704 3.3015 4.0266 4.0581 4.1767 4.2470 4.3220 4.3816 4.4271 4.5250 4.5494 4.6010 4.6699 4.8261 4.8446 4.9811 5.0642 5.1774 5.2053 5.2379 5.3861 5.4796 5.6669 5.7845 5.8319 6.0061 6.1847 6.2469 6.2796 6.4566 6.5497 6.6680 6.8039 6.8623 6.9043 7.0536 7.0904 7.2789 7.4357 7.5143 7.5857 7.7831 8.0327 8.1738 8.7042 9.0251 9.1214 9.2288 9.4295 9.6048 10.0986 10.2426 10.6169 10.7013 10.9929 11.1192 11.3979 11.7905 k = 0.3929 0.2268-0.0000 ( 6900 PWs) bands (ev): -3.5033 -3.5026 -2.6661 -2.6637 -1.8144 -1.8105 -1.4485 -1.4472 -1.3642 -1.3594 -1.1500 -1.1469 3.0789 3.0977 3.3113 3.3423 4.0106 4.0511 4.1817 4.2594 4.3280 4.3927 4.4196 4.5235 4.5512 4.5855 4.6747 4.8059 4.8537 4.9971 5.0721 5.2132 5.2321 5.2460 5.3937 5.5170 5.6680 5.7945 5.8488 6.0196 6.1744 6.2602 6.2797 6.4446 6.5310 6.6764 6.7943 6.8411 6.8876 7.0153 7.0683 7.2574 7.4366 7.5145 7.5904 7.7698 8.0304 8.1797 8.6405 9.0261 9.0364 9.2424 9.3971 9.5775 10.1303 10.2790 10.6504 10.7377 11.0078 11.1505 11.3821 11.7893 k = 0.4107 0.2371-0.0000 ( 6904 PWs) bands (ev): -3.4477 -3.4470 -2.7370 -2.7348 -1.8199 -1.8166 -1.4534 -1.4522 -1.3564 -1.3523 -1.1530 -1.1501 3.0748 3.0903 3.3559 3.3859 3.9870 4.0339 4.1798 4.2637 4.3296 4.3987 4.4318 4.5230 4.5589 4.5744 4.6749 4.7829 4.8670 5.0178 5.0727 5.2293 5.2543 5.2759 5.3984 5.5560 5.6653 5.8036 5.8707 6.0321 6.1616 6.2613 6.2933 6.4281 6.5139 6.6818 6.7562 6.8366 6.8895 6.9784 7.0493 7.2316 7.4393 7.5092 7.6038 7.7565 8.0365 8.1925 8.5795 8.9357 9.0487 9.2555 9.3697 9.5514 10.1625 10.3091 10.6759 10.7696 11.0259 11.1708 11.3705 11.7518 k = 0.4286 0.2474-0.0000 ( 6906 PWs) bands (ev): -3.3914 -3.3906 -2.8061 -2.8041 -1.8243 -1.8217 -1.4577 -1.4566 -1.3492 -1.3458 -1.1559 -1.1534 3.0708 3.0830 3.4016 3.4299 3.9587 4.0057 4.1795 4.2604 4.3280 4.3956 4.4626 4.5225 4.5551 4.5837 4.6705 4.7587 4.8840 5.0418 5.0661 5.2287 5.2795 5.3128 5.4038 5.5864 5.6656 5.8109 5.8959 6.0411 6.1493 6.2592 6.3088 6.4088 6.5021 6.6631 6.7426 6.8196 6.9031 6.9448 7.0366 7.2046 7.4426 7.5000 7.6216 7.7434 8.0510 8.2081 8.5270 8.8461 9.0678 9.2623 9.3522 9.5255 10.1940 10.3295 10.6964 10.7947 11.0466 11.1823 11.3670 11.7020 k = 0.4464 0.2577-0.0000 ( 6900 PWs) bands (ev): -3.3356 -3.3347 -2.8719 -2.8702 -1.8277 -1.8257 -1.4611 -1.4602 -1.3429 -1.3402 -1.1585 -1.1565 3.0676 3.0766 3.4460 3.4713 3.9290 3.9704 4.1832 4.2506 4.3303 4.3880 4.4986 4.5229 4.5460 4.6032 4.6617 4.7339 4.9042 5.0464 5.0751 5.2213 5.3033 5.3428 5.4155 5.5906 5.6852 5.8150 5.9219 6.0418 6.1446 6.2568 6.3178 6.3916 6.4966 6.6264 6.7513 6.8008 6.9094 6.9182 7.0354 7.1774 7.4458 7.4895 7.6407 7.7307 8.0727 8.2193 8.4914 8.7610 9.0910 9.2544 9.3523 9.4994 10.2242 10.3380 10.7164 10.8096 11.0687 11.1857 11.3762 11.6480 k = 0.4643 0.2681-0.0000 ( 6894 PWs) bands (ev): -3.2826 -3.2818 -2.9319 -2.9305 -1.8301 -1.8287 -1.4635 -1.4629 -1.3379 -1.3361 -1.1605 -1.1590 3.0655 3.0715 3.4858 3.5060 3.9026 3.9341 4.1903 4.2375 4.3369 4.3782 4.5210 4.5343 4.5416 4.6226 4.6490 4.7096 4.9272 5.0272 5.1042 5.2074 5.3241 5.3577 5.4399 5.5718 5.7195 5.8133 5.9465 6.0306 6.1540 6.2490 6.3213 6.3778 6.4992 6.5908 6.7623 6.7860 6.8949 6.9093 7.0478 7.1502 7.4494 7.4789 7.6591 7.7182 8.1002 8.2163 8.4828 8.6819 9.1174 9.2330 9.3682 9.4726 10.2527 10.3349 10.7386 10.8120 11.0924 11.1795 11.4006 11.5927 k = 0.4821 0.2784-0.0000 ( 6886 PWs) bands (ev): -3.2392 -3.2386 -2.9793 -2.9784 -1.8313 -1.8307 -1.4649 -1.4646 -1.3346 -1.3337 -1.1616 -1.1608 3.0648 3.0678 3.5166 3.5282 3.8862 3.9036 4.1998 4.2240 4.3459 4.3674 4.5238 4.5313 4.5716 4.6248 4.6476 4.6869 4.9522 5.0035 5.1343 5.1875 5.3409 5.3593 5.4736 5.5430 5.7544 5.8033 5.9691 6.0117 6.1757 6.2301 6.3292 6.3622 6.5121 6.5599 6.7693 6.7773 6.8865 6.8991 7.0695 7.1228 7.4543 7.4692 7.6762 7.7054 8.1319 8.1961 8.5046 8.6106 9.1461 9.2055 9.3915 9.4453 10.2792 10.3222 10.7623 10.8027 11.1175 11.1641 11.4385 11.5379 k = 0.5000 0.2887-0.0000 ( 6882 PWs) bands (ev): -3.2203 -3.2203 -2.9988 -2.9988 -1.8315 -1.8315 -1.4653 -1.4653 -1.3332 -1.3332 -1.1617 -1.1617 3.0656 3.0656 3.5322 3.5322 3.8860 3.8860 4.2112 4.2112 4.3564 4.3564 4.5269 4.5269 4.6013 4.6013 4.6660 4.6660 4.9780 4.9780 5.1627 5.1627 5.3529 5.3529 5.5093 5.5093 5.7835 5.7835 5.9905 5.9905 6.2033 6.2033 6.3444 6.3444 6.5333 6.5333 6.7729 6.7729 6.8894 6.8894 7.0955 7.0955 7.4609 7.4609 7.6916 7.6916 8.1654 8.1654 8.5499 8.5499 9.1759 9.1759 9.4179 9.4179 10.3028 10.3028 10.7849 10.7849 11.1423 11.1423 11.4856 11.4856 k = 0.5000 0.2887-0.0000 ( 6882 PWs) bands (ev): -3.2203 -3.2203 -2.9988 -2.9988 -1.8315 -1.8315 -1.4653 -1.4653 -1.3332 -1.3332 -1.1617 -1.1617 3.0656 3.0656 3.5322 3.5322 3.8860 3.8860 4.2112 4.2112 4.3564 4.3564 4.5269 4.5269 4.6013 4.6013 4.6660 4.6660 4.9780 4.9780 5.1627 5.1627 5.3529 5.3529 5.5093 5.5093 5.7835 5.7835 5.9905 5.9905 6.2033 6.2033 6.3444 6.3444 6.5333 6.5333 6.7729 6.7729 6.8894 6.8894 7.0955 7.0955 7.4609 7.4609 7.6916 7.6916 8.1654 8.1654 8.5499 8.5499 9.1759 9.1759 9.4179 9.4179 10.3028 10.3028 10.7849 10.7849 11.1423 11.1423 11.4856 11.4856 k = 0.4896 0.3067-0.0000 ( 6886 PWs) bands (ev): -3.2191 -3.2190 -2.9979 -2.9976 -1.8415 -1.8400 -1.4599 -1.4588 -1.3331 -1.3327 -1.1620 -1.1620 3.0685 3.0701 3.5299 3.5359 3.8837 3.8895 4.2102 4.2132 4.3529 4.3568 4.5216 4.5260 4.5986 4.6061 4.6618 4.6720 4.9649 4.9821 5.1640 5.1655 5.3415 5.3602 5.5032 5.5217 5.7808 5.7873 5.9647 6.0108 6.1909 6.2156 6.3328 6.3569 6.5196 6.5464 6.7588 6.7771 6.8857 6.8950 7.0925 7.1084 7.4599 7.4608 7.6796 7.7019 8.1570 8.1744 8.5391 8.5647 9.1774 9.1851 9.4103 9.4317 10.2806 10.3175 10.7164 10.8358 11.0767 11.2195 11.4594 11.5223 k = 0.4792 0.3248-0.0000 ( 6886 PWs) bands (ev): -3.2153 -3.2151 -2.9949 -2.9943 -1.8680 -1.8652 -1.4441 -1.4422 -1.3323 -1.3316 -1.1628 -1.1628 3.0789 3.0819 3.5290 3.5411 3.8824 3.8942 4.2102 4.2161 4.3470 4.3536 4.5126 4.5181 4.5948 4.6141 4.6596 4.6790 4.9449 4.9774 5.1671 5.1711 5.3278 5.3638 5.5057 5.5363 5.7784 5.7935 5.9363 6.0228 6.1791 6.2263 6.3248 6.3686 6.5063 6.5577 6.7381 6.7721 6.8820 6.9027 7.0981 7.1298 7.4576 7.4603 7.6666 7.7105 8.1499 8.1832 8.5324 8.5829 9.1880 9.2051 9.4082 9.4525 10.2530 10.3239 10.6413 10.8409 11.0516 11.2971 11.4436 11.5671 k = 0.4688 0.3428-0.0000 ( 6902 PWs) bands (ev): -3.2090 -3.2086 -2.9898 -2.9889 -1.9072 -1.9036 -1.4216 -1.4193 -1.3311 -1.3300 -1.1642 -1.1641 3.0966 3.1008 3.5295 3.5479 3.8819 3.9002 4.2111 4.2195 4.3393 4.3466 4.5019 4.5050 4.5887 4.6232 4.6586 4.6870 4.9218 4.9671 5.1661 5.1767 5.3169 5.3651 5.5166 5.5485 5.7750 5.8027 5.9085 6.0252 6.1685 6.2343 6.3221 6.3784 6.4947 6.5661 6.7143 6.7628 6.8777 6.9102 7.1093 7.1564 7.4541 7.4594 7.6545 7.7179 8.1451 8.1914 8.5295 8.6036 9.2054 9.2344 9.4120 9.4815 10.2227 10.3232 10.5636 10.7888 11.0788 11.3708 11.4367 11.6163 k = 0.4583 0.3608-0.0000 ( 6896 PWs) bands (ev): -3.2001 -3.1996 -2.9827 -2.9814 -1.9554 -1.9512 -1.3958 -1.3936 -1.3291 -1.3277 -1.1661 -1.1659 3.1212 3.1262 3.5313 3.5567 3.8820 3.9075 4.2126 4.2229 4.3305 4.3362 4.4892 4.4897 4.5811 4.6295 4.6567 4.6969 4.8987 4.9544 5.1562 5.1800 5.3134 5.3642 5.5350 5.5555 5.7689 5.8149 5.8845 6.0193 6.1597 6.2392 6.3232 6.3857 6.4864 6.5702 6.6896 6.7546 6.8735 6.9155 7.1229 7.1841 7.4502 7.4571 7.6465 7.7249 8.1429 8.1984 8.5295 8.6252 9.2270 9.2700 9.4226 9.5189 10.1933 10.3179 10.4855 10.7120 11.1259 11.4353 11.4377 11.6653 k = 0.4479 0.3789-0.0000 ( 6904 PWs) bands (ev): -3.1886 -3.1880 -2.9735 -2.9719 -2.0099 -2.0055 -1.3694 -1.3676 -1.3266 -1.3249 -1.1684 -1.1682 3.1522 3.1572 3.5345 3.5677 3.8824 3.9160 4.2138 4.2256 4.3212 4.3234 4.4727 4.4755 4.5731 4.6296 4.6523 4.7100 4.8786 4.9417 5.1375 5.1799 5.3173 5.3596 5.5564 5.5598 5.7579 5.8244 5.8719 6.0088 6.1529 6.2421 6.3233 6.3903 6.4833 6.5693 6.6654 6.7508 6.8706 6.9179 7.1358 7.2085 7.4477 7.4510 7.6468 7.7325 8.1437 8.2039 8.5308 8.6460 9.2514 9.3076 9.4415 9.5635 10.1687 10.3120 10.4088 10.6292 11.1739 11.4360 11.4949 11.7091 k = 0.4375 0.3969-0.0000 ( 6900 PWs) bands (ev): -3.1746 -3.1739 -2.9625 -2.9605 -2.0690 -2.0645 -1.3439 -1.3428 -1.3233 -1.3215 -1.1711 -1.1707 3.1888 3.1930 3.5393 3.5813 3.8829 3.9256 4.2138 4.2266 4.3097 4.3116 4.4572 4.4591 4.5648 4.6220 4.6453 4.7260 4.8632 4.9301 5.1142 5.1761 5.3254 5.3494 5.5528 5.5897 5.7400 5.8202 5.8818 5.9986 6.1484 6.2437 6.3185 6.3923 6.4858 6.5638 6.6423 6.7524 6.8702 6.9177 7.1463 7.2262 7.4387 7.4483 7.6591 7.7418 8.1475 8.2075 8.5320 8.6639 9.2780 9.3427 9.4695 9.6124 10.1532 10.3107 10.3347 10.5464 11.2159 11.4352 11.5387 11.7437 k = 0.4271 0.4150-0.0000 ( 6896 PWs) bands (ev): -3.1581 -3.1573 -2.9497 -2.9474 -2.1314 -2.1267 -1.3228 -1.3208 -1.3171 -1.3169 -1.1741 -1.1734 3.2298 3.2322 3.5459 3.5981 3.8830 3.9363 4.2108 4.2253 4.2968 4.3020 4.4404 4.4441 4.5556 4.6075 4.6364 4.7438 4.8536 4.9198 5.0904 5.1690 5.3323 5.3352 5.5465 5.6233 5.7146 5.8104 5.9061 5.9922 6.1460 6.2436 6.3085 6.3917 6.4920 6.5551 6.6208 6.7581 6.8731 6.9161 7.1536 7.2350 7.4200 7.4529 7.6838 7.7541 8.1543 8.2086 8.5313 8.6766 9.3075 9.3741 9.5034 9.6609 10.1513 10.2644 10.3192 10.4659 11.2478 11.4306 11.5656 11.7656 k = 0.4167 0.4330-0.0000 ( 6888 PWs) bands (ev): -3.1391 -3.1381 -2.9354 -2.9327 -2.1958 -2.1912 -1.3166 -1.3134 -1.2991 -1.2990 -1.1772 -1.1762 3.2731 3.2741 3.5547 3.6188 3.8823 3.9476 4.2034 4.2212 4.2861 4.2921 4.4199 4.4341 4.5443 4.5884 4.6276 4.7617 4.8499 4.9098 5.0692 5.1586 5.3088 5.3453 5.5381 5.6541 5.6882 5.8038 5.9351 5.9909 6.1454 6.2399 6.2964 6.3885 6.4987 6.5449 6.6012 6.7662 6.8793 6.9141 7.1582 7.2353 7.3965 7.4607 7.7190 7.7705 8.1637 8.2066 8.5275 8.6818 9.3407 9.4034 9.5369 9.7041 10.1670 10.1988 10.3411 10.3904 11.2666 11.4212 11.5737 11.7721 k = 0.4062 0.4511-0.0000 ( 6888 PWs) bands (ev): -3.1176 -3.1165 -2.9198 -2.9168 -2.2615 -2.2570 -1.3119 -1.3085 -1.2825 -1.2814 -1.1801 -1.1787 3.3137 3.3196 3.5664 3.6442 3.8803 3.9592 4.1913 4.2146 4.2775 4.2820 4.3983 4.4266 4.5309 4.5679 4.6205 4.7783 4.8517 4.8987 5.0524 5.1449 5.2818 5.3555 5.5275 5.6367 5.7072 5.8027 5.9657 5.9939 6.1460 6.2298 6.2867 6.3828 6.5034 6.5342 6.5836 6.7748 6.8885 6.9129 7.1604 7.2294 7.3702 7.4696 7.7622 7.7916 8.1752 8.2009 8.5196 8.6780 9.3784 9.4329 9.5649 9.7382 10.1379 10.2031 10.3111 10.3884 11.2700 11.4076 11.5639 11.7614 k = 0.3958 0.4691-0.0000 ( 6894 PWs) bands (ev): -3.0937 -3.0925 -2.9035 -2.9002 -2.3275 -2.3231 -1.3068 -1.3032 -1.2698 -1.2674 -1.1825 -1.1807 3.3521 3.3637 3.5821 3.6747 3.8765 3.9703 4.1763 4.2061 4.2691 4.2722 4.3755 4.4192 4.5177 4.5496 4.6153 4.7918 4.8588 4.8857 5.0411 5.1275 5.2548 5.3657 5.5142 5.5985 5.7460 5.8077 5.9963 5.9992 6.1470 6.2128 6.2819 6.3750 6.5049 6.5238 6.5682 6.7829 6.8996 6.9135 7.1612 7.2204 7.3426 7.4775 7.8108 7.8177 8.1884 8.1910 8.5075 8.6642 9.4205 9.4630 9.5856 9.7627 10.0827 10.2417 10.2580 10.4464 11.2580 11.3917 11.5398 11.7338 k = 0.3854 0.4871-0.0000 ( 6884 PWs) bands (ev): -3.0673 -3.0660 -2.8873 -2.8836 -2.3925 -2.3882 -1.3013 -1.2975 -1.2610 -1.2574 -1.1840 -1.1818 3.3865 3.4031 3.6034 3.7102 3.8706 3.9797 4.1614 4.1967 4.2589 4.2633 4.3511 4.4085 4.5083 4.5373 4.6112 4.8014 4.8700 4.8706 5.0348 5.1064 5.2316 5.3761 5.4986 5.5597 5.7862 5.8178 6.0046 6.0258 6.1478 6.1919 6.2808 6.3652 6.5030 6.5142 6.5545 6.7901 6.9108 6.9159 7.1610 7.2110 7.3148 7.4834 7.8482 7.8629 8.1767 8.2031 8.4915 8.6406 9.4663 9.4927 9.6014 9.7795 10.0330 10.1744 10.3279 10.5171 11.2344 11.3744 11.5065 11.6918 k = 0.3750 0.5052-0.0000 ( 6874 PWs) bands (ev): -3.0386 -3.0372 -2.8725 -2.8685 -2.4547 -2.4506 -1.2954 -1.2914 -1.2564 -1.2518 -1.1841 -1.1818 3.4156 3.4347 3.6312 3.7490 3.8624 3.9854 4.1503 4.1875 4.2465 4.2560 4.3245 4.3930 4.5054 4.5325 4.6069 4.8075 4.8546 4.8833 5.0324 5.0831 5.2142 5.3867 5.4819 5.5235 5.8252 5.8318 6.0076 6.0533 6.1478 6.1711 6.2820 6.3537 6.4987 6.5059 6.5421 6.7966 6.9197 6.9206 7.1603 7.2034 7.2879 7.4873 7.8820 7.9161 8.1585 8.2190 8.4728 8.6080 9.5145 9.5191 9.6167 9.7916 9.9888 10.1098 10.4070 10.5910 11.2072 11.3560 11.4688 11.6391 k = 0.3646 0.5232-0.0000 ( 6880 PWs) bands (ev): -3.0076 -3.0061 -2.8617 -2.8576 -2.5112 -2.5075 -1.2893 -1.2851 -1.2556 -1.2504 -1.1831 -1.1810 3.4391 3.4570 3.6643 3.7878 3.8522 3.9861 4.1465 4.1798 4.2329 4.2499 4.2961 4.3744 4.5094 4.5336 4.6013 4.8107 4.8392 4.8960 5.0324 5.0610 5.2025 5.3977 5.4655 5.4917 5.8484 5.8611 6.0062 6.0779 6.1464 6.1534 6.2850 6.3410 6.4932 6.4995 6.5305 6.8028 6.9238 6.9276 7.1597 7.1990 7.2626 7.4895 7.9176 7.9671 8.1375 8.2360 8.4536 8.5680 9.5392 9.5631 9.6348 9.8017 9.9510 10.0477 10.4887 10.6556 11.1885 11.3365 11.4316 11.5799 k = 0.3542 0.5413-0.0000 ( 6876 PWs) bands (ev): -2.9743 -2.9727 -2.8593 -2.8555 -2.5571 -2.5542 -1.2828 -1.2785 -1.2579 -1.2524 -1.1814 -1.1799 3.4568 3.4704 3.6981 3.8204 3.8416 3.9825 4.1518 4.1749 4.2208 4.2441 4.2677 4.3566 4.5188 4.5368 4.5937 4.8119 4.8263 4.9059 5.0332 5.0440 5.1957 5.4091 5.4506 5.4659 5.8662 5.8901 6.0004 6.0985 6.1408 6.1433 6.2899 6.3278 6.4878 6.4960 6.5194 6.8087 6.9271 6.9312 7.1591 7.1988 7.2403 7.4904 7.9529 8.0087 8.1177 8.2542 8.4378 8.5232 9.5521 9.6090 9.6541 9.8114 9.9219 9.9894 10.5659 10.6957 11.1923 11.3169 11.3978 11.5198 k = 0.3438 0.5593-0.0000 ( 6884 PWs) bands (ev): -2.9388 -2.9371 -2.8712 -2.8681 -2.5863 -2.5846 -1.2762 -1.2720 -1.2625 -1.2566 -1.1799 -1.1791 3.4690 3.4762 3.7249 3.8347 3.8389 3.9791 4.1641 4.1732 4.2137 4.2369 4.2422 4.3441 4.5307 4.5392 4.5847 4.8122 4.8172 4.9116 5.0337 5.0347 5.1926 5.4209 5.4390 5.4469 5.8838 5.9052 5.9949 6.1140 6.1337 6.1381 6.2969 6.3152 6.4836 6.4963 6.5093 6.8136 6.9293 6.9319 7.1588 7.2026 7.2222 7.4907 7.9854 8.0260 8.1088 8.2717 8.4318 8.4781 9.5595 9.6468 9.6672 9.8212 9.9062 9.9389 10.6311 10.7014 11.2236 11.3018 11.3650 11.4700 k = 0.3333 0.5774-0.0000 ( 6888 PWs) bands (ev): -2.9023 -2.9023 -2.8998 -2.8961 -2.5951 -2.5951 -1.2705 -1.2676 -1.2676 -1.2604 -1.1791 -1.1791 3.4755 3.4755 3.7350 3.8382 3.8382 3.9787 4.1728 4.1728 4.2154 4.2296 4.2296 4.3398 4.5387 4.5387 4.5793 4.8130 4.8130 4.9132 5.0330 5.0330 5.1919 5.4318 5.4318 5.4367 5.8998 5.8998 5.9941 6.1211 6.1329 6.1329 6.3051 6.3051 6.4818 6.5010 6.5010 6.8158 6.9307 6.9307 7.1585 7.2100 7.2100 7.4907 8.0123 8.0123 8.1107 8.2812 8.4436 8.4436 9.5622 9.6672 9.6672 9.8266 9.9090 9.9090 10.6773 10.6773 11.2475 11.3209 11.3209 11.4506 k = 0.3333 0.5774-0.0000 ( 6888 PWs) bands (ev): -2.9023 -2.9023 -2.8998 -2.8961 -2.5951 -2.5951 -1.2705 -1.2676 -1.2676 -1.2604 -1.1791 -1.1791 3.4755 3.4755 3.7350 3.8382 3.8382 3.9787 4.1728 4.1728 4.2154 4.2296 4.2296 4.3398 4.5387 4.5387 4.5793 4.8130 4.8130 4.9132 5.0330 5.0330 5.1919 5.4318 5.4318 5.4367 5.8998 5.8998 5.9941 6.1211 6.1329 6.1329 6.3051 6.3051 6.4818 6.5010 6.5010 6.8158 6.9307 6.9307 7.1585 7.2100 7.2100 7.4907 8.0123 8.0123 8.1107 8.2812 8.4436 8.4436 9.5622 9.6672 9.6672 9.8266 9.9090 9.9090 10.6773 10.6773 11.2475 11.3209 11.3209 11.4506 k = 0.3229 0.5593-0.0000 ( 6883 PWs) bands (ev): -2.9460 -2.9453 -2.8612 -2.8591 -2.5880 -2.5865 -1.2769 -1.2725 -1.2618 -1.2559 -1.1800 -1.1792 3.4690 3.4763 3.7269 3.8217 3.8519 3.9771 4.1669 4.1676 4.2143 4.2289 4.2526 4.3435 4.5336 4.5350 4.5864 4.8139 4.8159 4.9121 5.0306 5.0367 5.1922 5.4294 5.4300 5.4474 5.8788 5.9126 5.9912 6.1140 6.1330 6.1392 6.2995 6.3124 6.4830 6.4969 6.5103 6.8127 6.9294 6.9330 7.1592 7.2043 7.2203 7.4908 7.9845 8.0316 8.1037 8.2660 8.4390 8.4776 9.5581 9.6552 9.6583 9.8222 9.9159 9.9296 10.6353 10.7004 11.2360 11.2641 11.3892 11.4674 k = 0.3125 0.5413-0.0000 ( 6875 PWs) bands (ev): -3.0006 -3.0004 -2.8193 -2.8172 -2.5689 -2.5663 -1.2854 -1.2808 -1.2546 -1.2489 -1.1819 -1.1804 3.4568 3.4710 3.7087 3.7964 3.8670 3.9699 4.1535 4.1538 4.2220 4.2399 4.2894 4.3530 4.5208 4.5297 4.6016 4.8196 4.8215 4.9096 5.0263 5.0433 5.1925 5.4302 5.4339 5.4621 5.8502 5.9196 5.9784 6.1002 6.1326 6.1517 6.2999 6.3172 6.4808 6.5060 6.5234 6.8021 6.9294 6.9380 7.1624 7.2045 7.2327 7.4914 7.9526 8.0416 8.0823 8.2242 8.4677 8.5303 9.5420 9.6206 9.6417 9.8183 9.9482 9.9622 10.5851 10.7012 11.2046 11.2178 11.4675 11.5099 k = 0.3021 0.5232-0.0000 ( 6883 PWs) bands (ev): -3.0605 -3.0603 -2.7755 -2.7733 -2.5422 -2.5387 -1.2948 -1.2901 -1.2474 -1.2417 -1.1849 -1.1826 3.4394 3.4595 3.6862 3.7673 3.8780 3.9565 4.1360 4.1405 4.2364 4.2586 4.3277 4.3650 4.5094 4.5260 4.6186 4.8293 4.8295 4.9066 5.0203 5.0507 5.1928 5.4348 5.4425 5.4786 5.8181 5.9181 5.9555 6.0838 6.1316 6.1655 6.3059 6.3197 6.4749 6.5294 6.5395 6.7840 6.9321 6.9461 7.1701 7.2093 7.2470 7.4929 7.9196 8.0413 8.0507 8.1718 8.5151 8.5953 9.5109 9.5672 9.6349 9.8173 9.9908 10.0009 10.5326 10.6838 11.1480 11.1998 11.5420 11.5676 k = 0.2917 0.5052-0.0000 ( 6889 PWs) bands (ev): -3.1227 -3.1223 -2.7298 -2.7275 -2.5107 -2.5065 -1.3049 -1.3002 -1.2402 -1.2345 -1.1888 -1.1859 3.4171 3.4418 3.6622 3.7369 3.8828 3.9382 4.1185 4.1301 4.2543 4.2806 4.3600 4.3761 4.5067 4.5279 4.6355 4.8388 4.8421 4.9038 5.0127 5.0571 5.1940 5.4409 5.4537 5.4973 5.7848 5.9056 5.9250 6.0665 6.1332 6.1747 6.3164 6.3233 6.4680 6.5570 6.5632 6.7609 6.9382 6.9563 7.1826 7.2186 7.2627 7.4957 7.8873 8.0138 8.0269 8.1220 8.5716 8.6669 9.4692 9.5082 9.6342 9.8164 10.0369 10.0421 10.4813 10.6536 11.0970 11.1834 11.6073 11.6320 k = 0.2812 0.4871-0.0000 ( 6881 PWs) bands (ev): -3.1857 -3.1851 -2.6823 -2.6799 -2.4756 -2.4709 -1.3154 -1.3107 -1.2330 -1.2273 -1.1935 -1.1899 3.3903 3.4184 3.6380 3.7069 3.8804 3.9165 4.1040 4.1225 4.2734 4.3030 4.3796 4.3837 4.5188 4.5384 4.6524 4.8475 4.8566 4.9027 5.0039 5.0608 5.1973 5.4462 5.4650 5.5169 5.7515 5.8820 5.8902 6.0485 6.1395 6.1754 6.3298 6.3316 6.4608 6.5737 6.6047 6.7362 6.9483 6.9675 7.1976 7.2346 7.2796 7.5001 7.8566 7.9751 7.9918 8.0864 8.6317 8.7407 9.4232 9.4495 9.6366 9.8146 10.0829 10.0837 10.4333 10.6148 11.0526 11.1695 11.6581 11.6970 k = 0.2708 0.4691-0.0000 ( 6887 PWs) bands (ev): -3.2485 -3.2479 -2.6332 -2.6307 -2.4382 -2.4329 -1.3264 -1.3217 -1.2260 -1.2205 -1.1989 -1.1947 3.3597 3.3899 3.6143 3.6782 3.8710 3.8922 4.0935 4.1172 4.2920 4.3244 4.3878 4.3883 4.5437 4.5571 4.6704 4.8537 4.8718 4.9051 4.9941 5.0610 5.2037 5.4491 5.4737 5.5346 5.7196 5.8496 5.8548 6.0295 6.1508 6.1673 6.3444 6.3448 6.4544 6.5867 6.6512 6.7149 6.9622 6.9789 7.2114 7.2602 7.2972 7.5064 7.8286 7.9375 7.9401 8.0648 8.6914 8.8124 9.3785 9.3954 9.6406 9.8121 10.1238 10.1258 10.3908 10.5710 11.0151 11.1584 11.6801 11.7579 k = 0.2604 0.4511-0.0000 ( 6887 PWs) bands (ev): -3.3105 -3.3099 -2.5824 -2.5798 -2.3988 -2.3931 -1.3378 -1.3331 -1.2192 -1.2141 -1.2047 -1.1996 3.3261 3.3572 3.5918 3.6511 3.8553 3.8660 4.0869 4.1136 4.3085 4.3435 4.3913 4.3942 4.5725 4.5809 4.6915 4.8561 4.8864 4.9121 4.9837 5.0577 5.2132 5.4482 5.4778 5.5447 5.6899 5.8116 5.8247 6.0093 6.1530 6.1658 6.3586 6.3594 6.4512 6.5921 6.7005 6.7028 6.9797 6.9901 7.2232 7.2944 7.3147 7.5151 7.8048 7.8825 7.9033 8.0498 8.7463 8.8765 9.3409 9.3497 9.6458 9.8100 10.1611 10.1617 10.3571 10.5249 10.9841 11.1503 11.6415 11.8103 k = 0.2500 0.4330-0.0000 ( 6885 PWs) bands (ev): -3.3714 -3.3708 -2.5302 -2.5275 -2.3580 -2.3519 -1.3494 -1.3447 -1.2143 -1.2109 -1.2095 -1.2023 3.2903 3.3216 3.5705 3.6259 3.8347 3.8384 4.0832 4.1108 4.3218 4.3585 4.3976 4.4034 4.5976 4.6060 4.7180 4.8559 4.8995 4.9224 4.9729 5.0522 5.2248 5.4419 5.4759 5.5413 5.6622 5.7709 5.8074 5.9878 6.1355 6.1828 6.3698 6.3703 6.4551 6.5892 6.7029 6.7505 7.0004 7.0009 7.2339 7.3307 7.3332 7.5259 7.7875 7.8251 7.8744 8.0394 8.7914 8.9248 9.3170 9.3187 9.6523 9.8093 10.1831 10.1936 10.3384 10.4786 10.9591 11.1441 11.5537 11.8446 k = 0.2396 0.4150-0.0000 ( 6885 PWs) bands (ev): -3.4308 -3.4302 -2.4767 -2.4739 -2.3161 -2.3097 -1.3611 -1.3565 -1.2190 -1.2148 -1.2053 -1.1985 3.2529 3.2839 3.5507 3.6025 3.8098 3.8108 4.0814 4.1083 4.3324 4.3689 4.4086 4.4174 4.6159 4.6292 4.7500 4.8549 4.9101 4.9337 4.9623 5.0462 5.2366 5.4286 5.4676 5.5217 5.6361 5.7300 5.8074 5.9655 6.1173 6.1999 6.3719 6.3778 6.4693 6.5833 6.7123 6.7993 7.0111 7.0238 7.2442 7.3438 7.3719 7.5384 7.7708 7.7798 7.8536 8.0351 8.8219 8.9483 9.3015 9.3208 9.6608 9.8115 10.1831 10.2189 10.3410 10.4348 10.9389 11.1363 11.4529 11.8284 k = 0.2292 0.3969-0.0000 ( 6881 PWs) bands (ev): -3.4886 -3.4881 -2.4219 -2.4191 -2.2735 -2.2667 -1.3730 -1.3684 -1.2258 -1.2211 -1.1994 -1.1930 3.2148 3.2452 3.5325 3.5810 3.7806 3.7849 4.0804 4.1056 4.3422 4.3763 4.4226 4.4346 4.6279 4.6482 4.7850 4.8542 4.9162 4.9428 4.9537 5.0423 5.2467 5.4072 5.4542 5.4885 5.6142 5.6911 5.8208 5.9428 6.1006 6.2152 6.3671 6.3801 6.4915 6.5803 6.7263 6.8449 7.0206 7.0498 7.2538 7.3519 7.4057 7.5514 7.7218 7.7824 7.8453 8.0399 8.8350 8.9444 9.3053 9.3490 9.6722 9.8179 10.1664 10.2333 10.3592 10.3970 10.9219 11.1159 11.3623 11.7503 k = 0.2188 0.3789-0.0000 ( 6899 PWs) bands (ev): -3.5446 -3.5441 -2.3662 -2.3633 -2.2304 -2.2233 -1.3848 -1.3803 -1.2330 -1.2278 -1.1939 -1.1877 3.1763 3.2060 3.5160 3.5616 3.7513 3.7582 4.0796 4.1026 4.3527 4.3826 4.4373 4.4531 4.6354 4.6618 4.8189 4.8540 4.9149 4.9466 4.9506 5.0429 5.2521 5.3782 5.4388 5.4468 5.5991 5.6560 5.8404 5.9204 6.0873 6.2266 6.3587 6.3784 6.5182 6.5821 6.7423 6.8855 7.0293 7.0781 7.2626 7.3534 7.4317 7.5636 7.6804 7.7890 7.8594 8.0563 8.8324 8.9211 9.3257 9.3945 9.6875 9.8292 10.1434 10.2318 10.3695 10.3823 10.9060 11.0609 11.3082 11.6552 k = 0.2083 0.3608-0.0000 ( 6915 PWs) bands (ev): -3.5986 -3.5981 -2.3097 -2.3066 -2.1870 -2.1796 -1.3966 -1.3922 -1.2402 -1.2347 -1.1889 -1.1828 3.1382 3.1672 3.5014 3.5441 3.7223 3.7313 4.0789 4.0995 4.3643 4.3882 4.4514 4.4711 4.6396 4.6696 4.8460 4.8535 4.9078 4.9435 4.9528 5.0482 5.2499 5.3432 5.4027 5.4261 5.5903 5.6259 5.8607 5.8990 6.0792 6.2327 6.3485 6.3755 6.5466 6.5870 6.7586 6.9199 7.0380 7.1086 7.2704 7.3473 7.4510 7.5714 7.6521 7.7948 7.8999 8.0850 8.8189 8.8877 9.3567 9.4461 9.7083 9.8455 10.1206 10.2135 10.3530 10.4040 10.8883 10.9669 11.2972 11.5627 k = 0.1979 0.3428-0.0000 ( 6907 PWs) bands (ev): -3.6504 -3.6500 -2.2524 -2.2492 -2.1437 -2.1361 -1.4081 -1.4039 -1.2473 -1.2416 -1.1843 -1.1784 3.1007 3.1290 3.4887 3.5287 3.6938 3.7051 4.0781 4.0962 4.3771 4.3923 4.4642 4.4872 4.6417 4.6720 4.8513 4.8576 4.9034 4.9346 4.9563 5.0552 5.2384 5.3043 5.3629 5.4207 5.5865 5.6023 5.8780 5.8796 6.0778 6.2328 6.3374 6.3735 6.5751 6.5923 6.7740 6.9474 7.0481 7.1406 7.2776 7.3343 7.4667 7.5661 7.6477 7.8038 7.9583 8.1246 8.7997 8.8507 9.3923 9.4955 9.7356 9.8655 10.1022 10.1849 10.3407 10.4213 10.8543 10.8661 11.3092 11.4786 k = 0.1875 0.3248-0.0000 ( 6923 PWs) bands (ev): -3.7001 -3.6997 -2.1947 -2.1914 -2.1008 -2.0930 -1.4193 -1.4153 -1.2543 -1.2483 -1.1804 -1.1746 3.0642 3.0920 3.4780 3.5153 3.6663 3.6797 4.0773 4.0930 4.3904 4.3939 4.4755 4.5000 4.6422 4.6698 4.8463 4.8501 4.9033 4.9216 4.9584 5.0599 5.2191 5.2625 5.3348 5.4238 5.5861 5.5862 5.8630 5.8907 6.0839 6.2277 6.3257 6.3732 6.5955 6.6023 6.7865 6.9681 7.0620 7.1729 7.2851 7.3161 7.4819 7.5504 7.6670 7.8194 8.0255 8.1717 8.7785 8.8133 9.4283 9.5376 9.7696 9.8852 10.0925 10.1538 10.3253 10.4321 10.7384 10.8382 11.3282 11.4033 k = 0.1771 0.3067-0.0000 ( 6921 PWs) bands (ev): -3.7475 -3.7472 -2.1366 -2.1333 -2.0584 -2.0505 -1.4301 -1.4263 -1.2610 -1.2548 -1.1772 -1.1715 3.0291 3.0565 3.4693 3.5040 3.6400 3.6558 4.0765 4.0901 4.3917 4.4035 4.4852 4.5080 4.6418 4.6633 4.8332 4.8377 4.8943 4.9057 4.9593 5.0599 5.1956 5.2182 5.3244 5.4344 5.5784 5.5885 5.8498 5.8989 6.0967 6.2189 6.3136 6.3743 6.5949 6.6264 6.7944 6.9824 7.0824 7.2044 7.2938 7.2956 7.4983 7.5366 7.6998 7.8424 8.0955 8.2222 8.7575 8.7776 9.4617 9.5696 9.8080 9.8988 10.0962 10.1261 10.3027 10.4322 10.6307 10.8059 11.3336 11.3410 k = 0.1667 0.2887-0.0000 ( 6921 PWs) bands (ev): -3.7926 -3.7922 -2.0786 -2.0751 -2.0170 -2.0091 -1.4403 -1.4368 -1.2675 -1.2611 -1.1746 -1.1691 2.9956 3.0225 3.4626 3.4948 3.6152 3.6333 4.0757 4.0873 4.3846 4.4152 4.4931 4.5101 4.6411 4.6522 4.8130 4.8256 4.8700 4.8880 4.9612 5.0546 5.1710 5.1725 5.3323 5.4506 5.5788 5.5930 5.8407 5.9042 6.1144 6.2081 6.3010 6.3760 6.5898 6.6462 6.7970 6.9908 7.1108 7.2319 7.2779 7.3050 7.5166 7.5314 7.7413 7.8728 8.1636 8.2725 8.7380 8.7447 9.4908 9.5900 9.8450 9.9014 10.1077 10.1128 10.2719 10.4117 10.5486 10.7725 11.2646 11.3320 k = 0.1562 0.2706-0.0000 ( 6921 PWs) bands (ev): -3.8351 -3.8349 -2.0209 -2.0171 -1.9767 -1.9689 -1.4499 -1.4467 -1.2735 -1.2669 -1.1730 -1.1677 2.9639 2.9905 3.4578 3.4876 3.5921 3.6127 4.0750 4.0849 4.3719 4.4237 4.4986 4.5059 4.6360 4.6397 4.7919 4.8106 4.8339 4.8703 4.9647 5.0439 5.1271 5.1480 5.3538 5.4707 5.5864 5.5992 5.8360 5.9084 6.1351 6.1966 6.2880 6.3775 6.5801 6.6603 6.7945 6.9934 7.1471 7.2386 7.2827 7.3194 7.5369 7.5373 7.7894 7.9094 8.2264 8.3194 8.7155 8.7202 9.5144 9.5980 9.8713 9.8926 10.1056 10.1284 10.2352 10.3706 10.5072 10.7408 11.1932 11.2902 k = 0.1458 0.2526-0.0000 ( 6905 PWs) bands (ev): -3.8752 -3.8750 -1.9639 -1.9595 -1.9375 -1.9304 -1.4586 -1.4558 -1.2790 -1.2723 -1.1722 -1.1670 2.9342 2.9604 3.4549 3.4823 3.5709 3.5940 4.0743 4.0828 4.3534 4.4255 4.4978 4.5008 4.6146 4.6359 4.7711 4.7932 4.7935 4.8546 4.9689 5.0276 5.0838 5.1292 5.3837 5.4926 5.5996 5.6068 5.8359 5.9126 6.1571 6.1853 6.2750 6.3788 6.5665 6.6681 6.7884 6.9894 7.1899 7.2283 7.3109 7.3380 7.5532 7.5607 7.8424 7.9507 8.2817 8.3609 8.6906 8.7040 9.5316 9.5923 9.8720 9.8784 10.1155 10.1221 10.1999 10.3552 10.4870 10.7113 11.1196 11.2234 k = 0.1354 0.2345-0.0000 ( 6909 PWs) bands (ev): -3.9128 -3.9125 -1.9101 -1.9027 -1.8979 -1.8940 -1.4664 -1.4640 -1.2840 -1.2772 -1.1725 -1.1675 2.9066 2.9323 3.4538 3.4788 3.5519 3.5773 4.0737 4.0810 4.3297 4.4158 4.4898 4.4981 4.5891 4.6261 4.7500 4.7573 4.7755 4.8421 4.9727 5.0064 5.0452 5.1161 5.4176 5.5147 5.6153 5.6167 5.8402 5.9177 6.1749 6.1788 6.2625 6.3797 6.5500 6.6697 6.7796 6.9773 7.2236 7.2370 7.3444 7.3615 7.5793 7.5872 7.8987 7.9950 8.3279 8.3961 8.6704 8.6886 9.5421 9.5726 9.8353 9.8660 10.0744 10.1310 10.1937 10.3828 10.4713 10.6814 11.0484 11.1482 k = 0.1250 0.2165-0.0000 ( 6901 PWs) bands (ev): -3.9477 -3.9475 -1.8699 -1.8601 -1.8479 -1.8466 -1.4730 -1.4712 -1.2885 -1.2816 -1.1738 -1.1690 2.8813 2.9064 3.4541 3.4769 3.5350 3.5628 4.0729 4.0794 4.3016 4.3934 4.4826 4.4881 4.5619 4.6068 4.7206 4.7413 4.7576 4.8328 4.9714 4.9831 5.0167 5.1078 5.4527 5.5357 5.6244 5.6360 5.8485 5.9241 6.1657 6.1980 6.2523 6.3805 6.5321 6.6660 6.7691 6.9567 7.2298 7.2861 7.3810 7.3908 7.6135 7.6168 7.9564 8.0398 8.3648 8.4253 8.6551 8.6728 9.5399 9.5465 9.7787 9.8390 10.0350 10.1098 10.2322 10.4089 10.4732 10.6466 10.9868 11.0779 k = 0.1146 0.1985-0.0000 ( 6901 PWs) bands (ev): -3.9800 -3.9798 -1.8375 -1.8289 -1.7940 -1.7919 -1.4785 -1.4773 -1.2923 -1.2854 -1.1764 -1.1717 2.8582 2.8825 3.4557 3.4763 3.5205 3.5505 4.0717 4.0779 4.2710 4.3625 4.4686 4.4711 4.5357 4.5788 4.6974 4.7337 4.7413 4.8254 4.9560 4.9608 5.0080 5.1027 5.4872 5.5550 5.6339 5.6557 5.8603 5.9317 6.1580 6.2081 6.2508 6.3813 6.5142 6.6585 6.7573 6.9289 7.2468 7.3350 7.4205 7.4269 7.6498 7.6545 8.0136 8.0825 8.3935 8.4500 8.6441 8.6548 9.4972 9.5455 9.7075 9.8030 10.0065 10.0868 10.2760 10.3863 10.5170 10.6036 10.9428 11.0224 k = 0.1042 0.1804-0.0000 ( 6901 PWs) bands (ev): -4.0095 -4.0094 -1.8086 -1.8008 -1.7410 -1.7386 -1.4826 -1.4820 -1.2954 -1.2886 -1.1803 -1.1758 2.8374 2.8608 3.4581 3.4768 3.5086 3.5404 4.0697 4.0763 4.2400 4.3278 4.4399 4.4504 4.5106 4.5469 4.6823 4.7279 4.7311 4.8188 4.9339 4.9418 5.0120 5.0995 5.5198 5.5725 5.6434 5.6744 5.8748 5.9403 6.1516 6.2042 6.2628 6.3827 6.4975 6.6485 6.7445 6.8966 7.2726 7.3824 7.4627 7.4696 7.6859 7.7007 8.0681 8.1200 8.4164 8.4719 8.6331 8.6363 9.4486 9.5381 9.6343 9.7624 9.9835 10.0663 10.3050 10.3413 10.5565 10.5622 10.9209 10.9899 k = 0.0938 0.1624-0.0000 ( 6901 PWs) bands (ev): -4.0364 -4.0363 -1.7831 -1.7761 -1.6896 -1.6871 -1.4854 -1.4853 -1.2977 -1.2912 -1.1856 -1.1812 2.8190 2.8413 3.4610 3.4777 3.4994 3.5326 4.0660 4.0744 4.2113 4.2928 4.4053 4.4196 4.4843 4.5139 4.6750 4.7181 4.7311 4.8119 4.9138 4.9272 5.0196 5.0972 5.5495 5.5881 5.6530 5.6911 5.8911 5.9497 6.1463 6.1939 6.2807 6.3852 6.4829 6.6375 6.7308 6.8618 7.3052 7.4287 7.5076 7.5175 7.7248 7.7507 8.1173 8.1496 8.4360 8.4930 8.6064 8.6301 9.3989 9.5140 9.5795 9.7207 9.9588 10.0459 10.2850 10.3014 10.5198 10.5895 10.9202 10.9846 k = 0.0833 0.1443-0.0000 ( 6911 PWs) bands (ev): -4.0605 -4.0604 -1.7611 -1.7550 -1.6402 -1.6378 -1.4873 -1.4865 -1.2994 -1.2932 -1.1924 -1.1882 2.8029 2.8237 3.4641 3.4782 3.4936 3.5269 4.0597 4.0718 4.1878 4.2605 4.3678 4.3817 4.4557 4.4799 4.6741 4.7119 4.7324 4.8042 4.8975 4.9165 5.0282 5.0955 5.5757 5.6019 5.6625 5.7051 5.9085 5.9594 6.1414 6.1822 6.2992 6.3895 6.4710 6.6263 6.7167 6.8263 7.3430 7.4748 7.5551 7.5681 7.7655 7.8031 8.1587 8.1694 8.4535 8.5138 8.5751 8.6244 9.3532 9.4635 9.5595 9.6799 9.9277 10.0229 10.2225 10.2582 10.5025 10.5957 10.9362 11.0024 k = 0.0729 0.1263-0.0000 ( 6915 PWs) bands (ev): -4.0819 -4.0818 -1.7426 -1.7375 -1.5932 -1.5908 -1.4878 -1.4864 -1.3003 -1.2946 -1.2009 -1.1968 2.7892 2.8083 3.4668 3.4771 3.4917 3.5231 4.0504 4.0681 4.1718 4.2334 4.3294 4.3405 4.4253 4.4450 4.6777 4.7089 4.7341 4.7959 4.8850 4.9090 5.0370 5.0942 5.5979 5.6139 5.6722 5.7162 5.9265 5.9691 6.1361 6.1706 6.3172 6.3958 6.4624 6.6157 6.7023 6.7911 7.3845 7.5215 7.6051 7.6193 7.8066 7.8560 8.1793 8.1902 8.4668 8.5190 8.5553 8.6194 9.3164 9.4117 9.5541 9.6415 9.8877 9.9956 10.1584 10.1904 10.4951 10.5865 10.9634 11.0319 k = 0.0625 0.1083-0.0000 ( 6911 PWs) bands (ev): -4.1004 -4.1004 -1.7276 -1.7234 -1.5491 -1.5468 -1.4866 -1.4848 -1.3007 -1.2956 -1.2111 -1.2071 2.7777 2.7947 3.4692 3.4754 3.4927 3.5206 4.0393 4.0632 4.1635 4.2132 4.2915 4.2985 4.3942 4.4099 4.6839 4.7081 4.7355 4.7875 4.8760 4.9033 5.0457 5.0931 5.6155 5.6241 5.6823 5.7245 5.9448 5.9786 6.1299 6.1593 6.3339 6.4038 6.4575 6.6062 6.6881 6.7569 7.4287 7.5684 7.6573 7.6697 7.8464 7.9073 8.1810 8.2106 8.4711 8.4823 8.5736 8.6176 9.2917 9.3712 9.5537 9.6071 9.8392 9.9630 10.0958 10.1139 10.4885 10.5692 10.9957 11.0625 k = 0.0521 0.0902-0.0000 ( 6907 PWs) bands (ev): -4.1161 -4.1161 -1.7158 -1.7125 -1.5101 -1.5080 -1.4822 -1.4801 -1.3005 -1.2964 -1.2231 -1.2191 2.7684 2.7831 3.4711 3.4741 3.4946 3.5189 4.0290 4.0575 4.1614 4.2004 4.2554 4.2577 4.3635 4.3756 4.6914 4.7088 4.7366 4.7790 4.8703 4.8987 5.0539 5.0920 5.6286 5.6326 5.6928 5.7302 5.9628 5.9877 6.1228 6.1483 6.3492 6.4112 6.4581 6.5980 6.6742 6.7243 7.4743 7.6135 7.7113 7.7194 7.8830 7.9543 8.1763 8.2189 8.4372 8.4627 8.5975 8.6213 9.2803 9.3452 9.5560 9.5784 9.7861 9.9252 10.0359 10.0371 10.4811 10.5490 11.0289 11.0888 k = 0.0417 0.0722-0.0000 ( 6895 PWs) bands (ev): -4.1290 -4.1290 -1.7068 -1.7043 -1.4905 -1.4886 -1.4610 -1.4587 -1.3002 -1.2971 -1.2368 -1.2328 2.7612 2.7734 3.4726 3.4738 3.4968 3.5172 4.0220 4.0520 4.1631 4.1940 4.2204 4.2234 4.3344 4.3431 4.6992 4.7106 4.7371 4.7709 4.8674 4.8943 5.0614 5.0909 5.6378 5.6393 5.7031 5.7337 5.9801 5.9964 6.1152 6.1376 6.3629 6.4151 6.4663 6.5908 6.6612 6.6941 7.5202 7.6528 7.7666 7.7693 7.9146 7.9938 8.1663 8.2131 8.3958 8.4435 8.6188 8.6295 9.2805 9.3336 9.5576 9.5590 9.7360 9.8834 9.9645 9.9782 10.4743 10.5289 11.0601 11.1096 k = 0.0312 0.0541-0.0000 ( 6889 PWs) bands (ev): -4.1390 -4.1390 -1.7003 -1.6986 -1.4860 -1.4843 -1.4277 -1.4256 -1.3002 -1.2984 -1.2518 -1.2477 2.7561 2.7655 3.4740 3.4743 3.4989 3.5151 4.0197 4.0478 4.1627 4.1803 4.2006 4.2011 4.3075 4.3131 4.7066 4.7129 4.7373 4.7631 4.8670 4.8898 5.0681 5.0896 5.6439 5.6444 5.7125 5.7354 5.9957 6.0045 6.1079 6.1273 6.3750 6.4148 6.4814 6.5838 6.6496 6.6674 7.5649 7.6809 7.8218 7.8218 7.9406 8.0223 8.1510 8.1897 8.3672 8.4197 8.6356 8.6394 9.2885 9.3327 9.5465 9.5591 9.6996 9.8398 9.8999 9.9233 10.4694 10.5106 11.0881 11.1254 k = 0.0208 0.0361-0.0000 ( 6883 PWs) bands (ev): -4.1462 -4.1462 -1.6959 -1.6948 -1.4837 -1.4824 -1.3964 -1.3946 -1.3017 -1.3013 -1.2666 -1.2626 2.7530 2.7594 3.4750 3.4751 3.5012 3.5126 4.0224 4.0450 4.1512 4.1543 4.1981 4.2038 4.2838 4.2867 4.7128 4.7153 4.7377 4.7558 4.8686 4.8851 5.0738 5.0879 5.6478 5.6479 5.7204 5.7355 6.0084 6.0116 6.1023 6.1174 6.3854 6.4119 6.5007 6.5749 6.6399 6.6464 7.6066 7.6934 7.8750 7.8778 7.9598 8.0363 8.1306 8.1513 8.3552 8.3970 8.6473 8.6482 9.3003 9.3355 9.5446 9.5539 9.6867 9.7969 9.8478 9.8734 10.4674 10.4950 11.1132 11.1378 k = 0.0104 0.0180-0.0000 ( 6883 PWs) bands (ev): -4.1505 -4.1505 -1.6933 -1.6928 -1.4822 -1.4815 -1.3705 -1.3692 -1.3076 -1.3075 -1.2769 -1.2742 2.7518 2.7550 3.4757 3.4757 3.5037 3.5096 4.0289 4.0420 4.1361 4.1369 4.2065 4.2108 4.2651 4.2658 4.7169 4.7173 4.7394 4.7490 4.8717 4.8803 5.0786 5.0855 5.6499 5.6499 5.7267 5.7341 6.0166 6.0171 6.1000 6.1086 6.3942 6.4074 6.5219 6.5614 6.6330 6.6339 7.6431 7.6897 7.9220 7.9354 7.9684 8.0291 8.1096 8.1135 8.3561 8.3784 8.6542 8.6543 9.3134 9.3343 9.5473 9.5491 9.6967 9.7567 9.8162 9.8335 10.4689 10.4828 11.1361 11.1488 k = 0.0000 0.0000 0.0000 ( 6875 PWs) bands (ev): -4.1519 -4.1519 -1.6923 -1.6923 -1.4814 -1.4814 -1.3577 -1.3577 -1.3131 -1.3131 -1.2792 -1.2792 2.7525 2.7525 3.4760 3.4760 3.5065 3.5065 4.0365 4.0365 4.1303 4.1303 4.2137 4.2137 4.2567 4.2567 4.7182 4.7182 4.7433 4.7433 4.8757 4.8757 5.0825 5.0825 5.6505 5.6505 5.7312 5.7312 6.0193 6.0193 6.1023 6.1023 6.4015 6.4015 6.5429 6.5429 6.6302 6.6302 7.6719 7.6719 7.9547 7.9547 7.9924 7.9924 8.0994 8.0994 8.3647 8.3647 8.6565 8.6565 9.3259 9.3259 9.5485 9.5485 9.7219 9.7219 9.8117 9.8117 10.4740 10.4740 11.1557 11.1557 k = 0.0000 0.0000 0.0000 ( 6875 PWs) bands (ev): -4.1519 -4.1519 -1.6923 -1.6923 -1.4814 -1.4814 -1.3577 -1.3577 -1.3131 -1.3131 -1.2792 -1.2792 2.7525 2.7525 3.4760 3.4760 3.5065 3.5065 4.0365 4.0365 4.1303 4.1303 4.2137 4.2137 4.2567 4.2567 4.7182 4.7182 4.7433 4.7433 4.8757 4.8757 5.0825 5.0825 5.6505 5.6505 5.7312 5.7312 6.0193 6.0193 6.1023 6.1023 6.4015 6.4015 6.5429 6.5429 6.6302 6.6302 7.6719 7.6719 7.9547 7.9547 7.9924 7.9924 8.0994 8.0994 8.3647 8.3647 8.6565 8.6565 9.3259 9.3259 9.5485 9.5485 9.7219 9.7219 9.8117 9.8117 10.4740 10.4740 11.1557 11.1557 k = 0.0000 0.0000 0.0205 ( 6875 PWs) bands (ev): -4.1506 -4.1506 -1.6972 -1.6972 -1.4804 -1.4804 -1.3574 -1.3574 -1.3131 -1.3130 -1.2791 -1.2791 2.7577 2.7577 3.4761 3.4781 3.5077 3.5077 4.0354 4.0354 4.1298 4.1298 4.2140 4.2140 4.2554 4.2580 4.7174 4.7195 4.7437 4.7437 4.8758 4.8758 5.0823 5.0823 5.6332 5.6672 5.7316 5.7316 6.0150 6.0220 6.1013 6.1013 6.4010 6.4010 6.5440 6.5440 6.6097 6.6496 7.6667 7.6667 7.9490 7.9490 7.9915 7.9915 8.0921 8.0944 8.3554 8.3554 8.6245 8.6700 9.3368 9.3368 9.5399 9.5847 9.7278 9.7278 9.8167 9.8167 10.4801 10.4801 11.1564 11.1564 k = 0.0000 0.0000 0.0410 ( 6875 PWs) bands (ev): -4.1467 -4.1467 -1.7117 -1.7117 -1.4775 -1.4775 -1.3568 -1.3568 -1.3129 -1.3128 -1.2789 -1.2789 2.7731 2.7731 3.4784 3.4825 3.5113 3.5113 4.0321 4.0321 4.1282 4.1282 4.2152 4.2152 4.2541 4.2593 4.7170 4.7212 4.7449 4.7449 4.8759 4.8759 5.0817 5.0817 5.6152 5.6830 5.7326 5.7326 6.0090 6.0230 6.0982 6.0982 6.3994 6.3994 6.5473 6.5473 6.5881 6.6675 7.6514 7.6514 7.9328 7.9328 7.9879 7.9879 8.0732 8.0767 8.3295 8.3295 8.5794 8.6628 9.3680 9.3680 9.5608 9.6437 9.7454 9.7454 9.8316 9.8316 10.4978 10.4978 11.1588 11.1588 k = 0.0000 0.0000 0.0615 ( 6893 PWs) bands (ev): -4.1402 -4.1402 -1.7348 -1.7348 -1.4735 -1.4735 -1.3557 -1.3557 -1.3126 -1.3125 -1.2786 -1.2786 2.7986 2.7986 3.4830 3.4891 3.5173 3.5173 4.0263 4.0263 4.1258 4.1258 4.2175 4.2175 4.2530 4.2607 4.7171 4.7234 4.7468 4.7468 4.8763 4.8763 5.0806 5.0806 5.5969 5.6978 5.7342 5.7342 6.0013 6.0224 6.0930 6.0930 6.3967 6.3967 6.5527 6.5527 6.5656 6.6839 7.6272 7.6272 7.9067 7.9067 7.9801 7.9801 8.0437 8.0466 8.2922 8.2922 8.5267 8.6370 9.4149 9.4149 9.6090 9.7202 9.7741 9.7741 9.8563 9.8563 10.5258 10.5258 11.1639 11.1639 k = 0.0000 0.0000 0.0820 ( 6911 PWs) bands (ev): -4.1311 -4.1311 -1.7655 -1.7655 -1.4691 -1.4691 -1.3542 -1.3542 -1.3122 -1.3120 -1.2782 -1.2782 2.8335 2.8335 3.4897 3.4978 3.5255 3.5255 4.0177 4.0177 4.1224 4.1224 4.2213 4.2213 4.2519 4.2620 4.7177 4.7261 4.7494 4.7494 4.8769 4.8769 5.0792 5.0792 5.5781 5.7114 5.7364 5.7364 5.9919 6.0203 6.0858 6.0858 6.3929 6.3929 6.5427 6.5599 6.5599 6.6986 7.5955 7.5955 7.8710 7.8710 7.9666 7.9666 8.0046 8.0048 8.2499 8.2499 8.4710 8.5977 9.4715 9.4715 9.6793 9.8100 9.8129 9.8129 9.8906 9.8906 10.5619 10.5619 11.1731 11.1731 k = 0.0000 0.0000 0.1025 ( 6911 PWs) bands (ev): -4.1194 -4.1194 -1.8029 -1.8029 -1.4646 -1.4646 -1.3523 -1.3523 -1.3116 -1.3114 -1.2776 -1.2776 2.8774 2.8774 3.4985 3.5086 3.5360 3.5360 4.0064 4.0064 4.1183 4.1183 4.2271 4.2271 4.2509 4.2634 4.7187 4.7292 4.7528 4.7528 4.8778 4.8778 5.0774 5.0774 5.5591 5.7235 5.7389 5.7389 5.9808 6.0164 6.0765 6.0765 6.3881 6.3881 6.5196 6.5686 6.5686 6.7115 7.5583 7.5583 7.8257 7.8257 7.9464 7.9464 7.9523 7.9579 8.2087 8.2087 8.4153 8.5502 9.5320 9.5320 9.7663 9.8604 9.8604 9.9100 9.9347 9.9347 10.6037 10.6037 11.1883 11.1883 k = 0.0000 0.0000 0.1230 ( 6923 PWs) bands (ev): -4.1052 -4.1052 -1.8461 -1.8461 -1.4604 -1.4604 -1.3502 -1.3502 -1.3109 -1.3106 -1.2769 -1.2769 2.9294 2.9294 3.5094 3.5214 3.5485 3.5485 3.9921 3.9921 4.1136 4.1136 4.2350 4.2350 4.2500 4.2649 4.7201 4.7328 4.7567 4.7567 4.8791 4.8791 5.0752 5.0752 5.5400 5.7339 5.7416 5.7416 5.9680 6.0109 6.0653 6.0653 6.3823 6.3823 6.4966 6.5785 6.5785 6.7227 7.5171 7.5171 7.7712 7.7712 7.8914 7.9043 7.9191 7.9191 8.1733 8.1733 8.3611 8.4987 9.5902 9.5902 9.8658 9.9151 9.9151 9.9889 9.9889 10.0181 10.6493 10.6493 11.2112 11.2112 k = 0.0000 0.0000 0.1435 ( 6936 PWs) bands (ev): -4.0884 -4.0884 -1.8944 -1.8944 -1.4567 -1.4567 -1.3477 -1.3477 -1.3101 -1.3098 -1.2761 -1.2761 2.9888 2.9888 3.5222 3.5361 3.5631 3.5631 3.9752 3.9752 4.1083 4.1083 4.2452 4.2452 4.2494 4.2664 4.7220 4.7368 4.7613 4.7613 4.8810 4.8810 5.0727 5.0727 5.5209 5.7422 5.7443 5.7443 5.9535 6.0038 6.0521 6.0521 6.3754 6.3754 6.4743 6.5891 6.5891 6.7319 7.4737 7.4737 7.7085 7.7085 7.8242 7.8456 7.8857 7.8857 8.1453 8.1453 8.3095 8.4462 9.6401 9.6401 9.9744 9.9748 9.9748 10.0541 10.0541 10.1330 10.6977 10.6977 11.2427 11.2427 k = 0.0000 0.0000 0.1640 ( 6942 PWs) bands (ev): -4.0691 -4.0691 -1.9471 -1.9471 -1.4534 -1.4534 -1.3449 -1.3449 -1.3092 -1.3089 -1.2753 -1.2753 3.0544 3.0544 3.5368 3.5525 3.5795 3.5795 3.9561 3.9561 4.1025 4.1025 4.2489 4.2578 4.2578 4.2679 4.7243 4.7413 4.7663 4.7663 4.8835 4.8835 5.0700 5.0700 5.5018 5.7466 5.7466 5.7480 5.9373 5.9949 6.0372 6.0372 6.3676 6.3676 6.4530 6.6001 6.6001 6.7391 7.4297 7.4297 7.6394 7.6394 7.7528 7.7832 7.8482 7.8482 8.1242 8.1242 8.2606 8.3947 9.6757 9.6757 10.0383 10.0383 10.0899 10.1304 10.1304 10.2537 10.7497 10.7497 11.2825 11.2825 k = 0.0000 0.0000 0.1845 ( 6942 PWs) bands (ev): -4.0474 -4.0474 -2.0037 -2.0037 -1.4505 -1.4505 -1.3419 -1.3419 -1.3082 -1.3079 -1.2743 -1.2743 3.1253 3.1253 3.5531 3.5705 3.5974 3.5974 3.9354 3.9354 4.0963 4.0963 4.2487 4.2696 4.2726 4.2726 4.7270 4.7462 4.7718 4.7718 4.8868 4.8868 5.0670 5.0670 5.4828 5.7480 5.7480 5.7509 5.9197 5.9843 6.0208 6.0208 6.3589 6.3589 6.4332 6.6109 6.6109 6.7444 7.3861 7.3861 7.5664 7.5664 7.6790 7.7185 7.8089 7.8089 8.1081 8.1081 8.2147 8.3451 9.6921 9.6921 10.1056 10.1056 10.2108 10.2163 10.2163 10.3794 10.8067 10.8067 11.3285 11.3285 k = 0.0000 0.0000 0.2050 ( 6936 PWs) bands (ev): -4.0232 -4.0232 -2.0635 -2.0635 -1.4481 -1.4481 -1.3387 -1.3387 -1.3071 -1.3068 -1.2732 -1.2732 3.2003 3.2003 3.5709 3.5900 3.6164 3.6164 3.9138 3.9138 4.0897 4.0897 4.2488 4.2715 4.2896 4.2896 4.7301 4.7515 4.7777 4.7777 4.8909 4.8909 5.0640 5.0640 5.4641 5.7479 5.7479 5.7503 5.9009 5.9721 6.0034 6.0034 6.3493 6.3493 6.4155 6.6212 6.6212 6.7475 7.3441 7.3441 7.4918 7.4918 7.6048 7.6529 7.7695 7.7695 8.0956 8.0956 8.1718 8.2982 9.6862 9.6862 10.1774 10.1774 10.3094 10.3094 10.3358 10.5094 10.8704 10.8704 11.3778 11.3778 k = 0.0000 0.0000 0.2255 ( 6918 PWs) bands (ev): -3.9967 -3.9967 -2.1259 -2.1259 -1.4459 -1.4459 -1.3354 -1.3354 -1.3059 -1.3056 -1.2721 -1.2721 3.2783 3.2783 3.5901 3.6106 3.6360 3.6360 3.8922 3.8922 4.0830 4.0830 4.2492 4.2734 4.3086 4.3086 4.7336 4.7573 4.7838 4.7838 4.8960 4.8960 5.0611 5.0611 5.4458 5.7454 5.7454 5.7455 5.8814 5.9581 5.9857 5.9857 6.3389 6.3389 6.4002 6.6304 6.6304 6.7486 7.3044 7.3044 7.4179 7.4179 7.5315 7.5876 7.7313 7.7313 8.0855 8.0855 8.1321 8.2542 9.6572 9.6572 10.2538 10.2538 10.4070 10.4070 10.4638 10.6434 10.9415 10.9415 11.4270 11.4270 k = 0.0000 0.0000 0.2460 ( 6906 PWs) bands (ev): -3.9680 -3.9680 -2.1905 -2.1905 -1.4442 -1.4442 -1.3319 -1.3319 -1.3048 -1.3044 -1.2710 -1.2710 3.3578 3.3578 3.6103 3.6321 3.6553 3.6553 3.8719 3.8719 4.0761 4.0761 4.2500 4.2756 4.3293 4.3293 4.7376 4.7634 4.7901 4.7901 4.9019 4.9019 5.0586 5.0586 5.4280 5.7358 5.7395 5.7395 5.8618 5.9425 5.9689 5.9689 6.3278 6.3278 6.3877 6.6381 6.6381 6.7474 7.2671 7.2671 7.3472 7.3472 7.4603 7.5237 7.6951 7.6951 8.0771 8.0771 8.0957 8.2133 9.6064 9.6064 10.3347 10.3347 10.5062 10.5062 10.5941 10.7806 11.0185 11.0185 11.4738 11.4738 k = 0.0000 0.0000 0.2665 ( 6918 PWs) bands (ev): -3.9371 -3.9371 -2.2565 -2.2565 -1.4427 -1.4427 -1.3284 -1.3284 -1.3036 -1.3032 -1.2699 -1.2699 3.4375 3.4375 3.6315 3.6543 3.6728 3.6728 3.8549 3.8549 4.0692 4.0692 4.2512 4.2780 4.3515 4.3515 4.7419 4.7698 4.7964 4.7964 4.9086 4.9086 5.0568 5.0568 5.4107 5.7207 5.7290 5.7290 5.8427 5.9253 5.9540 5.9540 6.3163 6.3163 6.3784 6.6439 6.6439 6.7438 7.2304 7.2304 7.2833 7.2833 7.3925 7.4621 7.6616 7.6616 8.0625 8.0698 8.0698 8.1753 9.5363 9.5363 10.4192 10.4192 10.6040 10.6040 10.7258 10.9207 11.0989 11.0989 11.5179 11.5179 k = 0.0000 0.0000 0.2870 ( 6912 PWs) bands (ev): -3.9042 -3.9042 -2.3236 -2.3236 -1.4413 -1.4413 -1.3249 -1.3249 -1.3024 -1.3020 -1.2687 -1.2687 3.5158 3.5158 3.6533 3.6768 3.6862 3.6862 3.8439 3.8439 4.0623 4.0623 4.2528 4.2807 4.3749 4.3749 4.7468 4.7766 4.8028 4.8028 4.9156 4.9156 5.0563 5.0563 5.3941 5.7000 5.7130 5.7130 5.8246 5.9068 5.9420 5.9420 6.3044 6.3044 6.3724 6.6473 6.6473 6.7379 7.1876 7.1876 7.2348 7.2348 7.3289 7.4035 7.6316 7.6316 8.0327 8.0633 8.0633 8.1403 9.4502 9.4502 10.5065 10.5065 10.6973 10.6973 10.8580 11.0630 11.1786 11.1786 11.5630 11.5630 k = 0.0000 0.0000 0.3075 ( 6900 PWs) bands (ev): -3.8693 -3.8693 -2.3911 -2.3911 -1.4402 -1.4402 -1.3215 -1.3215 -1.3012 -1.3008 -1.2675 -1.2675 3.5903 3.5903 3.6753 3.6933 3.6933 3.6993 3.8422 3.8422 4.0557 4.0557 4.2550 4.2835 4.3993 4.3993 4.7521 4.7837 4.8090 4.8090 4.9224 4.9224 5.0579 5.0579 5.3784 5.6741 5.6914 5.6914 5.8076 5.8870 5.9333 5.9333 6.2925 6.2925 6.3698 6.6481 6.6481 6.7294 7.1367 7.1367 7.2046 7.2046 7.2704 7.3485 7.6057 7.6057 8.0062 8.0574 8.0574 8.1081 9.3515 9.3515 10.5954 10.5954 10.7823 10.7823 10.9901 11.2068 11.2536 11.2536 11.6150 11.6150 k = 0.0000 0.0000 0.3280 ( 6900 PWs) bands (ev): -3.8328 -3.8328 -2.4585 -2.4585 -1.4392 -1.4392 -1.3182 -1.3182 -1.3000 -1.2997 -1.2664 -1.2664 3.6533 3.6533 3.6974 3.6988 3.6988 3.7214 3.8517 3.8517 4.0494 4.0494 4.2577 4.2866 4.4243 4.4243 4.7579 4.7909 4.8150 4.8150 4.9281 4.9281 5.0622 5.0622 5.3636 5.6439 5.6646 5.6646 5.7915 5.8664 5.9275 5.9275 6.2810 6.2810 6.3704 6.6462 6.6462 6.7183 7.0862 7.0862 7.1848 7.1848 7.2177 7.2975 7.5844 7.5844 7.9831 8.0521 8.0521 8.0787 9.2433 9.2433 10.6845 10.6845 10.8552 10.8552 11.1210 11.3222 11.3222 11.3515 11.6791 11.6791 k = 0.0000 0.0000 0.3485 ( 6906 PWs) bands (ev): -3.7949 -3.7949 -2.5253 -2.5253 -1.4384 -1.4384 -1.3150 -1.3150 -1.2989 -1.2986 -1.2654 -1.2654 3.6691 3.6691 3.7190 3.7381 3.7381 3.7427 3.8713 3.8713 4.0435 4.0435 4.2609 4.2898 4.4497 4.4497 4.7644 4.7982 4.8207 4.8207 4.9320 4.9320 5.0699 5.0699 5.3500 5.6104 5.6340 5.6340 5.7762 5.8451 5.9238 5.9238 6.2704 6.2704 6.3741 6.6419 6.6419 6.7045 7.0403 7.0403 7.1713 7.1713 7.1713 7.2509 7.5685 7.5685 7.9632 8.0470 8.0470 8.0518 9.1288 9.1288 10.7720 10.7720 10.9134 10.9134 11.2498 11.3864 11.3864 11.4960 11.7558 11.7558 k = 0.0000 0.0000 0.3690 ( 6894 PWs) bands (ev): -3.7558 -3.7558 -2.5908 -2.5908 -1.4377 -1.4377 -1.3119 -1.3119 -1.2979 -1.2976 -1.2644 -1.2644 3.6593 3.6593 3.7400 3.7627 3.7904 3.7904 3.8990 3.8990 4.0381 4.0381 4.2646 4.2931 4.4749 4.4749 4.7714 4.8054 4.8261 4.8261 4.9336 4.9336 5.0812 5.0812 5.3377 5.5748 5.6008 5.6008 5.7618 5.8238 5.9211 5.9211 6.2613 6.2613 6.3806 6.6356 6.6356 6.6880 6.9999 6.9999 7.1316 7.1625 7.1625 7.2087 7.5587 7.5587 7.9465 8.0274 8.0421 8.0421 9.0110 9.0110 10.8546 10.8546 10.9579 10.9579 11.3756 11.4495 11.4495 11.6393 11.8403 11.8403 k = 0.0000 0.0000 0.3895 ( 6906 PWs) bands (ev): -3.7161 -3.7161 -2.6544 -2.6544 -1.4372 -1.4372 -1.3092 -1.3092 -1.2969 -1.2966 -1.2635 -1.2635 3.6459 3.6459 3.7598 3.7811 3.8339 3.8339 3.9334 3.9334 4.0335 4.0335 4.2689 4.2963 4.4998 4.4998 4.7789 4.8124 4.8311 4.8311 4.9331 4.9331 5.0952 5.0952 5.3270 5.5380 5.5667 5.5667 5.7483 5.8028 5.9185 5.9185 6.2544 6.2544 6.3898 6.6281 6.6281 6.6691 6.9651 6.9651 7.0986 7.1573 7.1573 7.1710 7.5556 7.5556 7.9329 8.0053 8.0373 8.0373 8.8929 8.8929 10.9238 10.9238 10.9977 10.9977 11.4971 11.5123 11.5123 11.7794 11.9261 11.9261 k = 0.0000 0.0000 0.4100 ( 6918 PWs) bands (ev): -3.6764 -3.6764 -2.7152 -2.7152 -1.4367 -1.4367 -1.3067 -1.3067 -1.2961 -1.2958 -1.2627 -1.2627 3.6323 3.6323 3.7781 3.7975 3.8675 3.8675 3.9709 3.9709 4.0297 4.0297 4.2735 4.2992 4.5238 4.5238 4.7871 4.8190 4.8356 4.8356 4.9310 4.9310 5.1109 5.1109 5.3182 5.5012 5.5332 5.5332 5.7361 5.7828 5.9154 5.9154 6.2501 6.2501 6.4013 6.6201 6.6201 6.6481 6.9355 6.9355 7.0721 7.1378 7.1548 7.1548 7.5595 7.5595 7.9222 7.9856 8.0322 8.0322 8.7774 8.7774 10.9631 10.9631 11.0509 11.0509 11.5730 11.5730 11.6133 11.9139 12.0071 12.0071 k = 0.0000 0.0000 0.4305 ( 6918 PWs) bands (ev): -3.6377 -3.6377 -2.7721 -2.7721 -1.4363 -1.4363 -1.3045 -1.3045 -1.2954 -1.2951 -1.2620 -1.2620 3.6198 3.6198 3.7946 3.8116 3.8933 3.8933 4.0065 4.0065 4.0278 4.0278 4.2784 4.3016 4.5463 4.5463 4.7955 4.8248 4.8394 4.8394 4.9280 4.9280 5.1266 5.1266 5.3117 5.4653 5.5018 5.5018 5.7254 5.7641 5.9116 5.9116 6.2483 6.2483 6.4149 6.6123 6.6123 6.6256 6.9108 6.9108 7.0519 7.1090 7.1540 7.1540 7.5706 7.5706 7.9143 7.9681 8.0266 8.0266 8.6678 8.6678 10.9784 10.9784 11.1137 11.1137 11.6285 11.6285 11.7229 12.0379 12.0791 12.0791 k = 0.0000 0.0000 0.4510 ( 6912 PWs) bands (ev): -3.6011 -3.6011 -2.8237 -2.8237 -1.4360 -1.4360 -1.3027 -1.3027 -1.2947 -1.2945 -1.2614 -1.2614 3.6089 3.6089 3.8090 3.8231 3.9132 3.9132 4.0219 4.0219 4.0425 4.0425 4.2835 4.3034 4.5666 4.5666 4.8041 4.8295 4.8425 4.8425 4.9248 4.9248 5.1410 5.1410 5.3080 5.4313 5.4740 5.4740 5.7168 5.7475 5.9072 5.9072 6.2487 6.2487 6.4305 6.6021 6.6054 6.6054 6.8906 6.8906 7.0374 7.0845 7.1541 7.1541 7.5882 7.5882 7.9091 7.9528 8.0202 8.0202 8.5678 8.5678 10.9842 10.9842 11.1724 11.1724 11.6761 11.6761 11.8249 12.1398 12.1398 12.1406 k = 0.0000 0.0000 0.4715 ( 6906 PWs) bands (ev): -3.5684 -3.5684 -2.8682 -2.8682 -1.4357 -1.4357 -1.3012 -1.3012 -1.2942 -1.2940 -1.2609 -1.2609 3.6001 3.6001 3.8209 3.8318 3.9282 3.9282 4.0217 4.0217 4.0676 4.0676 4.2885 4.3043 4.5840 4.5840 4.8125 4.8328 4.8447 4.8447 4.9220 4.9220 5.1528 5.1528 5.3076 5.4001 5.4511 5.4511 5.7104 5.7332 5.9028 5.9028 6.2506 6.2506 6.4478 6.5782 6.5997 6.5997 6.8748 6.8748 7.0282 7.0643 7.1545 7.1545 7.6102 7.6102 7.9065 7.9397 8.0126 8.0126 8.4819 8.4819 10.9860 10.9860 11.2217 11.2217 11.7140 11.7140 11.9183 12.1884 12.1884 12.2014 k = 0.0000 0.0000 0.4920 ( 6900 PWs) bands (ev): -3.5421 -3.5421 -2.9030 -2.9030 -1.4356 -1.4356 -1.3001 -1.3001 -1.2938 -1.2937 -1.2605 -1.2605 3.5937 3.5937 3.8301 3.8376 3.9385 3.9385 4.0214 4.0214 4.0865 4.0865 4.2931 4.3041 4.5974 4.5974 4.8201 4.8343 4.8460 4.8460 4.9200 4.9200 5.1612 5.1612 5.3111 5.3728 5.4342 5.4342 5.7066 5.7217 5.8991 5.8991 6.2530 6.2530 6.4667 6.5543 6.5955 6.5955 6.8634 6.8634 7.0237 7.0481 7.1550 7.1550 7.6330 7.6330 7.9064 7.9286 8.0042 8.0042 8.4151 8.4151 10.9862 10.9862 11.2588 11.2588 11.7413 11.7413 12.0019 12.2098 12.2243 12.2243 k = 0.0000 0.0000 0.5125 ( 6912 PWs) bands (ev): -3.5247 -3.5247 -2.9256 -2.9256 -1.4355 -1.4355 -1.2995 -1.2995 -1.2936 -1.2935 -1.2603 -1.2603 3.5898 3.5898 3.8365 3.8403 3.9445 3.9445 4.0214 4.0214 4.0980 4.0980 4.2972 4.3029 4.6059 4.6059 4.8265 4.8338 4.8466 4.8466 4.9188 4.9188 5.1662 5.1662 5.3191 5.3499 5.4239 5.4239 5.7057 5.7132 5.8965 5.8965 6.2548 6.2548 6.4869 6.5310 6.5930 6.5930 6.8565 6.8565 7.0236 7.0359 7.1553 7.1553 7.6510 7.6510 7.9086 7.9198 7.9969 7.9969 8.3726 8.3726 10.9859 10.9859 11.2817 11.2817 11.7577 11.7577 12.0749 12.1830 12.2464 12.2464 k = 0.0000 0.0000 0.5330 ( 6924 PWs) bands (ev): -3.5186 -3.5186 -2.9334 -2.9334 -1.4355 -1.4355 -1.2993 -1.2993 -1.2935 -1.2935 -1.2603 -1.2603 3.5884 3.5884 3.8399 3.8399 3.9465 3.9465 4.0215 4.0215 4.1018 4.1018 4.3005 4.3005 4.6089 4.6089 4.8311 4.8311 4.8467 4.8467 4.9184 4.9184 5.1678 5.1678 5.3320 5.3320 5.4204 5.4204 5.7079 5.7079 5.8956 5.8956 6.2555 6.2555 6.5084 6.5084 6.5922 6.5922 6.8542 6.8542 7.0277 7.0277 7.1554 7.1554 7.6580 7.6580 7.9131 7.9131 7.9938 7.9938 8.3579 8.3579 10.9858 10.9858 11.2895 11.2895 11.7632 11.7632 12.1360 12.1360 12.2539 12.2539 k = 0.0000 0.0000 0.5330 ( 6924 PWs) bands (ev): -3.5186 -3.5186 -2.9334 -2.9334 -1.4355 -1.4355 -1.2993 -1.2993 -1.2935 -1.2935 -1.2603 -1.2603 3.5884 3.5884 3.8399 3.8399 3.9465 3.9465 4.0215 4.0215 4.1018 4.1018 4.3005 4.3005 4.6089 4.6089 4.8311 4.8311 4.8467 4.8467 4.9184 4.9184 5.1678 5.1678 5.3320 5.3320 5.4204 5.4204 5.7079 5.7079 5.8956 5.8956 6.2555 6.2555 6.5084 6.5084 6.5922 6.5922 6.8542 6.8542 7.0277 7.0277 7.1554 7.1554 7.6580 7.6580 7.9131 7.9131 7.9938 7.9938 8.3579 8.3579 10.9858 10.9858 11.2895 11.2895 11.7632 11.7632 12.1360 12.1360 12.2539 12.2539 k = 0.0179 0.0103 0.5330 ( 6928 PWs) bands (ev): -3.5175 -3.5171 -2.9328 -2.9320 -1.4386 -1.4382 -1.3010 -1.3007 -1.2935 -1.2934 -1.2604 -1.2603 3.5750 3.5962 3.8309 3.8323 3.9204 3.9681 4.0224 4.0292 4.0999 4.1142 4.3022 4.3025 4.6062 4.6126 4.8240 4.8297 4.8338 4.8567 4.9216 4.9244 5.1655 5.1682 5.3343 5.3351 5.4144 5.4272 5.7103 5.7111 5.8756 5.9193 6.2467 6.2673 6.5061 6.5072 6.5668 6.6267 6.8479 6.8656 7.0228 7.0232 7.1479 7.1759 7.6504 7.6710 7.9120 7.9121 7.9895 8.0052 8.3429 8.3718 10.9773 10.9851 11.2741 11.2970 11.7445 11.7716 12.1268 12.1286 12.2356 12.2623 k = 0.0357 0.0206 0.5330 ( 6916 PWs) bands (ev): -3.5137 -3.5128 -2.9302 -2.9287 -1.4471 -1.4464 -1.3054 -1.3044 -1.2952 -1.2946 -1.2600 -1.2595 3.5579 3.5962 3.8056 3.8129 3.8932 3.9848 4.0283 4.0420 4.1100 4.1347 4.3068 4.3087 4.6049 4.6170 4.8012 4.8260 4.8292 4.8605 4.9318 4.9345 5.1601 5.1691 5.3391 5.3453 5.4112 5.4341 5.7154 5.7210 5.8605 5.9462 6.2424 6.2801 6.4963 6.5044 6.5563 6.6669 6.8470 6.8813 7.0106 7.0124 7.1520 7.2062 7.6480 7.6894 7.9094 7.9102 7.9914 8.0231 8.3265 8.3846 10.9598 10.9752 11.2512 11.2965 11.7163 11.7694 12.0978 12.1105 12.2104 12.2570 k = 0.0536 0.0309 0.5330 ( 6910 PWs) bands (ev): -3.5072 -3.5059 -2.9256 -2.9233 -1.4601 -1.4591 -1.3125 -1.3108 -1.3006 -1.2998 -1.2576 -1.2562 3.5388 3.5871 3.7705 3.7838 3.8718 3.9910 4.0394 4.0543 4.1308 4.1611 4.3133 4.3187 4.6049 4.6218 4.7766 4.8166 4.8282 4.8631 4.9428 4.9444 5.1521 5.1719 5.3441 5.3619 5.4131 5.4427 5.7196 5.7367 5.8521 5.9760 6.2438 6.2917 6.4807 6.5001 6.5607 6.7102 6.8516 6.9006 6.9972 6.9993 7.1629 7.2427 7.6503 7.7131 7.9065 7.9094 7.9978 8.0464 8.3089 8.3966 10.9333 10.9563 11.2212 11.2885 11.6793 11.7559 12.0533 12.0867 12.1776 12.2361 k = 0.0714 0.0412 0.5330 ( 6910 PWs) bands (ev): -3.4981 -3.4963 -2.9191 -2.9160 -1.4767 -1.4752 -1.3224 -1.3208 -1.3107 -1.3088 -1.2532 -1.2506 3.5184 3.5688 3.7310 3.7478 3.8587 3.9863 4.0545 4.0641 4.1588 4.1908 4.3209 4.3313 4.6056 4.6267 4.7536 4.8051 4.8292 4.8654 4.9497 4.9547 5.1431 5.1763 5.3497 5.3826 5.4206 5.4549 5.7205 5.7552 5.8521 6.0082 6.2511 6.3007 6.4652 6.4944 6.5752 6.7537 6.8608 6.9223 6.9856 6.9911 7.1774 7.2832 7.6567 7.7415 7.9045 7.9120 8.0071 8.0747 8.2904 8.4084 10.8981 10.9287 11.1849 11.2734 11.6347 11.7302 12.0005 12.0600 12.1354 12.1998 k = 0.0893 0.0515 0.5330 ( 6910 PWs) bands (ev): -3.4863 -3.4841 -2.9106 -2.9067 -1.4959 -1.4940 -1.3364 -1.3351 -1.3242 -1.3201 -1.2474 -1.2438 3.4966 3.5419 3.6905 3.7112 3.8506 3.9753 4.0678 4.0737 4.1892 4.2225 4.3288 4.3450 4.6058 4.6319 4.7334 4.7935 4.8318 4.8674 4.9520 4.9665 5.1342 5.1814 5.3577 5.4031 5.4343 5.4725 5.7180 5.7728 5.8616 6.0423 6.2633 6.3072 6.4525 6.4877 6.5969 6.7925 6.8728 6.9416 6.9776 6.9995 7.1942 7.3264 7.6665 7.7731 7.9042 7.9200 8.0180 8.1074 8.2717 8.4206 10.8546 10.8932 11.1429 11.2520 11.5835 11.6917 11.9457 12.0308 12.0842 12.1507 k = 0.1071 0.0619 0.5330 ( 6906 PWs) bands (ev): -3.4719 -3.4693 -2.9001 -2.8955 -1.5171 -1.5149 -1.3560 -1.3539 -1.3390 -1.3330 -1.2413 -1.2368 3.4721 3.5074 3.6514 3.6800 3.8438 3.9606 4.0750 4.0876 4.2176 4.2552 4.3368 4.3583 4.6044 4.6377 4.7173 4.7830 4.8351 4.8697 4.9516 4.9798 5.1268 5.1866 5.3696 5.4172 5.4558 5.4962 5.7139 5.7867 5.8800 6.0770 6.2769 6.3137 6.4427 6.4817 6.6235 6.8206 6.8861 6.9475 6.9857 7.0314 7.2130 7.3717 7.6788 7.8056 7.9064 7.9355 8.0301 8.1447 8.2538 8.4341 10.8035 10.8506 11.0961 11.2253 11.5264 11.6407 11.8928 11.9962 12.0253 12.0940 k = 0.1250 0.0722 0.5330 ( 6908 PWs) bands (ev): -3.4550 -3.4520 -2.8878 -2.8824 -1.5400 -1.5372 -1.3802 -1.3774 -1.3549 -1.3477 -1.2355 -1.2302 3.4425 3.4668 3.6180 3.6568 3.8360 3.9433 4.0806 4.1023 4.2415 4.2861 4.3455 4.3703 4.6004 4.6438 4.7060 4.7745 4.8373 4.8731 4.9508 4.9941 5.1228 5.1930 5.3853 5.4249 5.4816 5.5250 5.7103 5.7972 5.9049 6.1106 6.2851 6.3265 6.4340 6.4794 6.6517 6.8364 6.9008 6.9440 7.0120 7.0828 7.2346 7.4186 7.6928 7.8367 7.9119 7.9585 8.0441 8.1863 8.2390 8.4501 10.7462 10.8022 11.0452 11.1942 11.4636 11.5784 11.8429 11.9472 11.9619 12.0399 k = 0.1429 0.0825 0.5330 ( 6914 PWs) bands (ev): -3.4355 -3.4320 -2.8735 -2.8674 -1.5641 -1.5608 -1.4084 -1.4051 -1.3722 -1.3642 -1.2301 -1.2242 3.4059 3.4220 3.5941 3.6413 3.8262 3.9243 4.0859 4.1166 4.2607 4.3083 4.3590 4.3800 4.5941 4.6499 4.7005 4.7697 4.8372 4.8763 4.9518 5.0080 5.1247 5.2020 5.4033 5.4293 5.5072 5.5570 5.7090 5.8063 5.9332 6.1413 6.2861 6.3466 6.4240 6.4840 6.6775 6.8467 6.9157 6.9421 7.0479 7.1455 7.2603 7.4665 7.7079 7.8647 7.9221 7.9831 8.0642 8.2191 8.2431 8.4699 10.6842 10.7490 10.9911 11.1598 11.3942 11.5073 11.7956 11.8753 11.8985 11.9967 k = 0.1607 0.0928 0.5330 ( 6916 PWs) bands (ev): -3.4135 -3.4096 -2.8575 -2.8506 -1.5892 -1.5854 -1.4403 -1.4364 -1.3910 -1.3825 -1.2254 -1.2190 3.3625 3.3748 3.5808 3.6330 3.8144 3.9041 4.0912 4.1302 4.2755 4.3177 4.3787 4.3870 4.5870 4.6544 4.7018 4.7702 4.8348 4.8768 4.9550 5.0203 5.1348 5.2147 5.4166 5.4377 5.5310 5.5895 5.7110 5.8158 5.9627 6.1668 6.2850 6.3687 6.4120 6.4973 6.6966 6.8582 6.9290 6.9467 7.0893 7.2094 7.2959 7.5147 7.7241 7.8895 7.9385 7.9981 8.0984 8.2190 8.2934 8.4952 10.6191 10.6923 10.9345 11.1229 11.3168 11.4306 11.7496 11.7902 11.8333 11.9603 k = 0.1786 0.1031 0.5330 ( 6906 PWs) bands (ev): -3.3890 -3.3847 -2.8395 -2.8319 -1.6152 -1.6109 -1.4755 -1.4710 -1.4114 -1.4026 -1.2215 -1.2146 3.3151 3.3262 3.5770 3.6312 3.8009 3.8832 4.0963 4.1428 4.2856 4.3197 4.3868 4.4024 4.5808 4.6557 4.7113 4.7764 4.8312 4.8753 4.9583 5.0303 5.1546 5.2311 5.4168 5.4579 5.5522 5.6204 5.7169 5.8271 5.9921 6.1846 6.2856 6.3875 6.4005 6.5184 6.7066 6.8715 6.9397 6.9634 7.1331 7.2592 7.3533 7.5614 7.7422 7.9111 7.9612 8.0027 8.1462 8.2230 8.3552 8.5275 10.5527 10.6332 10.8761 11.0838 11.2308 11.3506 11.6983 11.7051 11.7685 11.9252 k = 0.1964 0.1134 0.5330 ( 6918 PWs) bands (ev): -3.3622 -3.3574 -2.8199 -2.8115 -1.6423 -1.6372 -1.5139 -1.5085 -1.4331 -1.4243 -1.2183 -1.2112 3.2664 3.2767 3.5806 3.6350 3.7863 3.8622 4.1011 4.1540 4.2899 4.3204 4.3841 4.4205 4.5770 4.6540 4.7284 4.7863 4.8272 4.8747 4.9600 5.0375 5.1831 5.2501 5.4114 5.4822 5.5704 5.6488 5.7270 5.8407 6.0203 6.1931 6.2904 6.3816 6.4111 6.5449 6.7089 6.8820 6.9511 6.9930 7.1762 7.2938 7.4316 7.6039 7.7642 7.9307 7.9789 8.0153 8.2009 8.2349 8.4256 8.5684 10.4864 10.5727 10.8165 11.0409 11.1392 11.2681 11.6096 11.6543 11.7070 11.8883 k = 0.2143 0.1237 0.5330 ( 6906 PWs) bands (ev): -3.3330 -3.3278 -2.7984 -2.7893 -1.6703 -1.6642 -1.5550 -1.5485 -1.4559 -1.4474 -1.2158 -1.2085 3.2180 3.2275 3.5904 3.6441 3.7709 3.8417 4.1053 4.1633 4.2873 4.3231 4.3769 4.4347 4.5757 4.6518 4.7499 4.7963 4.8241 4.8790 4.9608 5.0421 5.2177 5.2700 5.4036 5.5071 5.5850 5.6750 5.7413 5.8566 6.0463 6.1932 6.2984 6.3679 6.4288 6.5734 6.7071 6.8878 6.9646 7.0331 7.2133 7.3259 7.5165 7.6403 7.7924 7.9486 7.9833 8.0517 8.2494 8.2630 8.5045 8.6189 10.4216 10.5115 10.7563 10.9828 11.0568 11.1826 11.5235 11.5985 11.6514 11.8484 k = 0.2321 0.1340 0.5330 ( 6910 PWs) bands (ev): -3.3016 -3.2959 -2.7753 -2.7655 -1.6997 -1.6922 -1.5987 -1.5903 -1.4796 -1.4715 -1.2140 -1.2066 3.1707 3.1794 3.6048 3.6577 3.7553 3.8220 4.1089 4.1705 4.2797 4.3263 4.3678 4.4455 4.5758 4.6509 4.7699 4.8055 4.8236 4.8909 4.9626 5.0451 5.2545 5.2894 5.3949 5.5309 5.5959 5.7003 5.7595 5.8741 6.0688 6.1877 6.3061 6.3564 6.4468 6.6000 6.7047 6.8904 6.9792 7.0804 7.2380 7.3637 7.5907 7.6791 7.8263 7.9640 7.9947 8.1004 8.2763 8.3203 8.5911 8.6797 10.3589 10.4498 10.6957 10.8927 11.0043 11.0936 11.4436 11.5362 11.6015 11.8046 k = 0.2500 0.1443 0.5330 ( 6910 PWs) bands (ev): -3.2679 -3.2619 -2.7506 -2.7400 -1.7309 -1.7212 -1.6445 -1.6333 -1.5037 -1.4962 -1.2128 -1.2054 3.1251 3.1329 3.6229 3.6752 3.7399 3.8037 4.1119 4.1757 4.2694 4.3251 4.3615 4.4544 4.5758 4.6523 4.7790 4.8152 4.8312 4.9092 4.9677 5.0474 5.2889 5.3082 5.3864 5.5526 5.6035 5.7257 5.7807 5.8921 6.0860 6.1802 6.3081 6.3514 6.4654 6.6199 6.7061 6.8921 6.9939 7.1317 7.2477 7.4085 7.6265 7.7455 7.8631 7.9831 8.0167 8.1572 8.3074 8.3803 8.6832 8.7518 10.2993 10.3876 10.6341 10.7886 10.9688 11.0025 11.3706 11.4700 11.5539 11.7564 k = 0.2679 0.1546 0.5330 ( 6916 PWs) bands (ev): -3.2323 -3.2258 -2.7244 -2.7130 -1.7648 -1.7518 -1.6916 -1.6765 -1.5281 -1.5213 -1.2120 -1.2048 3.0817 3.0886 3.6430 3.6955 3.7250 3.7878 4.1146 4.1790 4.2577 4.3156 4.3627 4.4625 4.5751 4.6558 4.7798 4.8175 4.8520 4.9296 4.9794 5.0497 5.3115 5.3319 5.3795 5.5714 5.6088 5.7517 5.8038 5.9101 6.0943 6.1747 6.3026 6.3546 6.4845 6.6288 6.7146 6.8947 7.0074 7.1846 7.2452 7.4551 7.6362 7.8287 7.9010 8.0122 8.0457 8.2217 8.3443 8.4413 8.7776 8.8364 10.2428 10.3245 10.5680 10.6877 10.9064 10.9452 11.3042 11.4019 11.5066 11.7038 k = 0.2857 0.1650 0.5330 ( 6920 PWs) bands (ev): -3.1947 -3.1878 -2.6967 -2.6847 -1.8023 -1.7851 -1.7389 -1.7186 -1.5522 -1.5462 -1.2117 -1.2046 3.0407 3.0468 3.6630 3.7108 3.7177 3.7762 4.1173 4.1811 4.2454 4.3009 4.3686 4.4702 4.5739 4.6606 4.7796 4.8182 4.8720 4.9505 4.9994 5.0526 5.3204 5.3577 5.3777 5.5858 5.6139 5.7784 5.8274 5.9276 6.0905 6.1746 6.2949 6.3611 6.5039 6.6282 6.7277 6.9003 7.0191 7.2209 7.2500 7.4938 7.6464 7.9074 7.9408 8.0499 8.0833 8.2932 8.3871 8.5029 8.8714 8.9336 10.1897 10.2604 10.4891 10.6039 10.8151 10.9245 11.2436 11.3328 11.4584 11.6471 k = 0.3036 0.1753 0.5330 ( 6920 PWs) bands (ev): -3.1553 -3.1481 -2.6676 -2.6550 -1.8441 -1.8232 -1.7837 -1.7589 -1.5755 -1.5704 -1.2116 -1.2049 3.0024 3.0078 3.6785 3.6984 3.7388 3.7732 4.1205 4.1823 4.2330 4.2849 4.3756 4.4772 4.5731 4.6657 4.7819 4.8192 4.8855 4.9731 5.0257 5.0568 5.3209 5.3698 5.3903 5.5930 5.6221 5.8052 5.8500 5.9444 6.0758 6.1785 6.2897 6.3677 6.5219 6.6239 6.7388 6.9105 7.0285 7.2039 7.3006 7.5131 7.6753 7.9689 7.9841 8.0912 8.1355 8.3696 8.4366 8.5648 8.9651 9.0398 10.1394 10.1958 10.3950 10.5434 10.7261 10.9104 11.1883 11.2634 11.4088 11.5869 k = 0.3214 0.1856 0.5330 ( 6900 PWs) bands (ev): -3.1144 -3.1068 -2.6373 -2.6240 -1.8900 -1.8682 -1.8236 -1.7972 -1.5978 -1.5935 -1.2118 -1.2055 2.9670 2.9717 3.6812 3.6907 3.7575 3.7837 4.1247 4.1831 4.2213 4.2697 4.3822 4.4827 4.5737 4.6702 4.7882 4.8211 4.8930 4.9973 5.0526 5.0652 5.3161 5.3733 5.4091 5.5930 5.6340 5.8314 5.8699 5.9605 6.0549 6.1819 6.2894 6.3731 6.5359 6.6214 6.7441 6.9252 7.0355 7.1765 7.3551 7.5166 7.7250 8.0047 8.0332 8.1350 8.2030 8.4439 8.4976 8.6257 9.0597 9.1505 10.0895 10.1337 10.2952 10.4992 10.6424 10.9012 11.1378 11.1946 11.3575 11.5242 k = 0.3393 0.1959 0.5330 ( 6896 PWs) bands (ev): -3.0721 -3.0642 -2.6060 -2.5921 -1.9390 -1.9185 -1.8601 -1.8340 -1.6186 -1.6152 -1.2122 -1.2063 2.9346 2.9387 3.6724 3.6862 3.7766 3.8028 4.1301 4.1832 4.2110 4.2574 4.3871 4.4855 4.5769 4.6738 4.7991 4.8237 4.8969 5.0209 5.0661 5.0903 5.3086 5.3748 5.4245 5.5883 5.6474 5.8559 5.8858 5.9753 6.0326 6.1827 6.2947 6.3771 6.5417 6.6256 6.7433 6.9421 7.0402 7.1452 7.4057 7.5207 7.7860 8.0255 8.0757 8.1863 8.2773 8.5052 8.5768 8.6846 9.1548 9.2616 10.0348 10.0813 10.1976 10.4630 10.5678 10.8938 11.0925 11.1284 11.3038 11.4606 k = 0.3571 0.2062 0.5330 ( 6886 PWs) bands (ev): -3.0287 -3.0206 -2.5737 -2.5593 -1.9899 -1.9712 -1.8952 -1.8703 -1.6378 -1.6351 -1.2127 -1.2073 2.9054 2.9089 3.6631 3.6787 3.7971 3.8229 4.1364 4.1820 4.2023 4.2506 4.3897 4.4849 4.5833 4.6766 4.8143 4.8276 4.8989 5.0421 5.0764 5.1214 5.3002 5.3741 5.4355 5.5796 5.6613 5.8767 5.8973 5.9827 6.0182 6.1806 6.3047 6.3800 6.5385 6.6371 6.7380 6.9571 7.0428 7.1125 7.4446 7.5421 7.8515 8.0372 8.1058 8.2487 8.3519 8.5561 8.6653 8.7413 9.2483 9.3691 9.9758 10.0416 10.1065 10.4234 10.5130 10.8814 11.0487 11.0735 11.2470 11.3987 k = 0.3750 0.2165 0.5330 ( 6894 PWs) bands (ev): -2.9848 -2.9765 -2.5408 -2.5261 -2.0416 -2.0245 -1.9300 -1.9063 -1.6549 -1.6529 -1.2132 -1.2084 2.8794 2.8824 3.6548 3.6702 3.8168 3.8410 4.1417 4.1796 4.1966 4.2515 4.3895 4.4805 4.5926 4.6788 4.8275 4.8381 4.9004 5.0595 5.0891 5.1523 5.2916 5.3711 5.4418 5.5664 5.6759 5.8889 5.9073 5.9723 6.0256 6.1767 6.3176 6.3825 6.5298 6.6505 6.7320 6.9670 7.0429 7.0807 7.4713 7.5865 7.9151 8.0448 8.1236 8.3200 8.4232 8.6008 8.7436 8.8037 9.3369 9.4686 9.9211 10.0091 10.0266 10.3694 10.4892 10.8555 10.9958 11.0465 11.1863 11.3416 k = 0.3929 0.2268 0.5330 ( 6898 PWs) bands (ev): -2.9408 -2.9324 -2.5077 -2.4926 -2.0928 -2.0773 -1.9646 -1.9420 -1.6700 -1.6684 -1.2138 -1.2096 2.8568 2.8593 3.6478 3.6618 3.8344 3.8558 4.1432 4.1738 4.1992 4.2599 4.3863 4.4728 4.6040 4.6805 4.8331 4.8585 4.9033 5.0732 5.1043 5.1818 5.2832 5.3662 5.4432 5.5481 5.6913 5.8872 5.9196 5.9593 6.0426 6.1719 6.3311 6.3859 6.5189 6.6572 6.7319 6.9701 7.0390 7.0527 7.4984 7.6432 7.9621 8.0618 8.1312 8.3949 8.4891 8.6410 8.7911 8.8842 9.4152 9.5549 9.8785 9.9506 9.9925 10.3094 10.4894 10.8140 10.9442 11.0337 11.1253 11.2907 k = 0.4107 0.2371 0.5330 ( 6890 PWs) bands (ev): -2.8976 -2.8894 -2.4747 -2.4597 -2.1422 -2.1283 -1.9985 -1.9774 -1.6827 -1.6816 -1.2142 -1.2107 2.8376 2.8396 3.6420 3.6542 3.8491 3.8672 4.1410 4.1649 4.2114 4.2740 4.3802 4.4623 4.6166 4.6816 4.8379 4.8749 4.9140 5.0838 5.1210 5.2091 5.2760 5.3605 5.4395 5.5243 5.7075 5.8758 5.9307 5.9522 6.0612 6.1666 6.3431 6.3912 6.5083 6.6507 6.7434 6.9660 7.0237 7.0375 7.5331 7.7042 7.9712 8.1046 8.1339 8.4665 8.5471 8.6802 8.8160 8.9673 9.4761 9.6239 9.8517 9.8952 9.9798 10.2529 10.5055 10.7648 10.8971 11.0082 11.0810 11.2444 k = 0.4286 0.2474 0.5330 ( 6900 PWs) bands (ev): -2.8563 -2.8485 -2.4426 -2.4281 -2.1883 -2.1763 -2.0310 -2.0117 -1.6932 -1.6924 -1.2146 -1.2118 2.8218 2.8235 3.6376 3.6475 3.8609 3.8753 4.1374 4.1558 4.2290 4.2919 4.3713 4.4494 4.6292 4.6820 4.8429 4.8799 4.9379 5.0908 5.1383 5.2305 5.2737 5.3551 5.4308 5.4957 5.7243 5.8600 5.9387 5.9503 6.0793 6.1611 6.3527 6.3981 6.5004 6.6341 6.7635 6.9544 7.0068 7.0281 7.5761 7.7661 7.9539 8.1126 8.1811 8.5223 8.5963 8.7259 8.8265 9.0369 9.5159 9.6756 9.8338 9.8608 9.9776 10.2050 10.5342 10.7186 10.8535 10.9545 11.0650 11.1992 k = 0.4464 0.2577 0.5330 ( 6912 PWs) bands (ev): -2.8187 -2.8119 -2.4126 -2.3994 -2.2289 -2.2190 -2.0605 -2.0438 -1.7014 -1.7009 -1.2149 -1.2127 2.8096 2.8108 3.6344 3.6420 3.8700 3.8806 4.1341 4.1476 4.2489 4.3118 4.3601 4.4343 4.6413 4.6812 4.8483 4.8787 4.9686 5.0928 5.1563 5.2370 5.2858 5.3516 5.4175 5.4639 5.7413 5.8428 5.9438 5.9516 6.0959 6.1551 6.3609 6.4033 6.4985 6.6125 6.7875 6.9362 6.9965 7.0181 7.6254 7.8266 7.9235 8.0941 8.2506 8.5449 8.6433 8.7796 8.8309 9.0801 9.5442 9.7094 9.8170 9.8459 9.9849 10.1673 10.5726 10.6852 10.8122 10.8948 11.0570 11.1543 k = 0.4643 0.2681 0.5330 ( 6908 PWs) bands (ev): -2.7874 -2.7822 -2.3867 -2.3760 -2.2609 -2.2537 -2.0848 -2.0718 -1.7072 -1.7069 -1.2150 -1.2135 2.8009 2.8017 3.6325 3.6376 3.8765 3.8835 4.1320 4.1409 4.2696 4.3304 4.3490 4.4174 4.6523 4.6790 4.8538 4.8752 5.0004 5.0882 5.1747 5.2314 5.3096 5.3516 5.4008 5.4311 5.7584 5.8257 5.9474 5.9533 6.1103 6.1485 6.3690 6.4029 6.5054 6.5887 6.8129 6.9141 6.9918 7.0083 7.6786 7.8777 7.8912 8.0664 8.3206 8.5334 8.6890 8.8002 8.8698 9.0872 9.5778 9.7207 9.8054 9.8355 10.0024 10.1358 10.6164 10.6727 10.7719 10.8390 11.0513 11.1131 k = 0.4821 0.2784 0.5330 ( 6910 PWs) bands (ev): -2.7657 -2.7628 -2.3679 -2.3617 -2.2808 -2.2770 -2.1002 -2.0929 -1.7107 -1.7105 -1.2149 -1.2141 2.7957 2.7961 3.6319 3.6345 3.8810 3.8844 4.1315 4.1359 4.2900 4.3263 4.3587 4.3988 4.6617 4.6751 4.8595 4.8705 5.0305 5.0760 5.1924 5.2213 5.3370 5.3567 5.3829 5.3991 5.7753 5.8088 5.9504 5.9538 6.1225 6.1412 6.3781 6.3969 6.5206 6.5644 6.8389 6.8900 6.9912 7.0001 7.7331 7.8373 7.9397 8.0309 8.3875 8.4985 8.7288 8.7857 8.9391 9.0592 9.6221 9.7064 9.8019 9.8230 10.0315 10.1036 10.6555 10.6866 10.7352 10.7882 11.0508 11.0804 k = 0.5000 0.2887 0.5330 ( 6896 PWs) bands (ev): -2.7569 -2.7569 -2.3590 -2.3590 -2.2863 -2.2863 -2.1032 -2.1032 -1.7118 -1.7118 -1.2146 -1.2146 2.7941 2.7941 3.6326 3.6326 3.8836 3.8836 4.1328 4.1328 4.3093 4.3093 4.3789 4.3789 4.6693 4.6693 4.8652 4.8652 5.0563 5.0563 5.2082 5.2082 5.3626 5.3626 5.3720 5.3720 5.7921 5.7921 5.9527 5.9527 6.1326 6.1326 6.3878 6.3878 6.5411 6.5411 6.8648 6.8648 6.9942 6.9942 7.7867 7.7867 7.9884 7.9884 8.4481 8.4481 8.7611 8.7611 9.0061 9.0061 9.6693 9.6693 9.8097 9.8097 10.0676 10.0676 10.6854 10.6854 10.7423 10.7423 11.0596 11.0596 k = 0.5000 0.2887 0.5330 ( 6896 PWs) bands (ev): -2.7569 -2.7569 -2.3590 -2.3590 -2.2863 -2.2863 -2.1032 -2.1032 -1.7118 -1.7118 -1.2146 -1.2146 2.7941 2.7941 3.6326 3.6326 3.8836 3.8836 4.1328 4.1328 4.3093 4.3093 4.3789 4.3789 4.6693 4.6693 4.8652 4.8652 5.0563 5.0563 5.2082 5.2082 5.3626 5.3626 5.3720 5.3720 5.7921 5.7921 5.9527 5.9527 6.1326 6.1326 6.3878 6.3878 6.5411 6.5411 6.8648 6.8648 6.9942 6.9942 7.7867 7.7867 7.9884 7.9884 8.4481 8.4481 8.7611 8.7611 9.0061 9.0061 9.6693 9.6693 9.8097 9.8097 10.0676 10.0676 10.6854 10.6854 10.7423 10.7423 11.0596 11.0596 k = 0.4896 0.3067 0.5330 ( 6908 PWs) bands (ev): -2.7559 -2.7556 -2.3590 -2.3587 -2.2860 -2.2859 -2.1027 -2.1022 -1.7131 -1.7129 -1.2176 -1.2175 2.7981 2.7990 3.6302 3.6352 3.8793 3.8828 4.1307 4.1314 4.3039 4.3131 4.3776 4.3783 4.6627 4.6795 4.8582 4.8734 5.0519 5.0609 5.2040 5.2148 5.3503 5.3653 5.3758 5.3765 5.7906 5.7966 5.9538 5.9555 6.1243 6.1409 6.3796 6.3965 6.5291 6.5524 6.8614 6.8656 6.9811 7.0041 7.7653 7.8057 7.9826 7.9865 8.4464 8.4530 8.7536 8.7689 9.0002 9.0051 9.6541 9.6832 9.8130 9.8274 10.0579 10.0870 10.6818 10.6921 10.7405 10.7457 11.0467 11.0772 k = 0.4792 0.3248 0.5330 ( 6916 PWs) bands (ev): -2.7525 -2.7518 -2.3586 -2.3580 -2.2850 -2.2848 -2.1006 -2.0997 -1.7167 -1.7163 -1.2265 -1.2263 2.8108 2.8127 3.6279 3.6378 3.8705 3.8773 4.1250 4.1268 4.2977 4.3147 4.3742 4.3759 4.6598 4.6925 4.8529 4.8823 5.0477 5.0660 5.2020 5.2234 5.3353 5.3625 5.3829 5.3832 5.7915 5.8041 5.9580 5.9631 6.1158 6.1493 6.3727 6.4049 6.5169 6.5631 6.8540 6.8650 6.9666 7.0096 7.7415 7.8210 7.9698 7.9771 8.4470 8.4612 8.7480 8.7753 8.9905 8.9965 9.6413 9.6945 9.8391 9.8598 10.0587 10.1144 10.6814 10.7011 10.7417 10.7502 11.0389 11.0993 k = 0.4688 0.3428 0.5330 ( 6928 PWs) bands (ev): -2.7467 -2.7457 -2.3578 -2.3570 -2.2835 -2.2834 -2.0970 -2.0957 -1.7226 -1.7219 -1.2410 -1.2406 2.8320 2.8348 3.6257 3.6406 3.8579 3.8674 4.1158 4.1189 4.2911 4.3135 4.3685 4.3716 4.6604 4.7070 4.8501 4.8912 5.0441 5.0722 5.2017 5.2332 5.3193 5.3601 5.3892 5.3908 5.7943 5.8145 5.9642 5.9759 6.1072 6.1578 6.3675 6.4119 6.5050 6.5730 6.8415 6.8640 6.9529 7.0099 7.7155 7.8301 7.9506 7.9624 8.4496 8.4721 8.7454 8.7790 8.9815 8.9817 9.6324 9.7071 9.8828 9.9008 10.0707 10.1483 10.6838 10.7105 10.7485 10.7559 11.0365 11.1260 k = 0.4583 0.3608 0.5330 ( 6928 PWs) bands (ev): -2.7385 -2.7372 -2.3565 -2.3556 -2.2817 -2.2816 -2.0919 -2.0901 -1.7305 -1.7296 -1.2606 -1.2601 2.8611 2.8647 3.6236 3.6434 3.8423 3.8540 4.1030 4.1082 4.2844 4.3088 4.3601 4.3655 4.6641 4.7216 4.8503 4.8996 5.0419 5.0800 5.2026 5.2429 5.3040 5.3584 5.3945 5.4002 5.7981 5.8271 5.9716 5.9938 6.0985 6.1667 6.3646 6.4159 6.4949 6.5825 6.8237 6.8633 6.9411 7.0049 7.6871 7.8284 7.9253 7.9466 8.4545 8.4844 8.7456 8.7801 8.9634 8.9772 9.6275 9.7245 9.9375 9.9451 10.0943 10.1866 10.6879 10.7176 10.7631 10.7637 11.0402 11.1569 k = 0.4479 0.3789 0.5330 ( 6924 PWs) bands (ev): -2.7279 -2.7264 -2.3547 -2.3539 -2.2803 -2.2798 -2.0853 -2.0830 -1.7403 -1.7390 -1.2849 -1.2842 2.8977 2.9019 3.6215 3.6462 3.8249 3.8382 4.0869 4.0946 4.2777 4.3005 4.3487 4.3577 4.6701 4.7344 4.8543 4.9067 5.0418 5.0890 5.2043 5.2507 5.2911 5.3583 5.4003 5.4110 5.8026 5.8411 5.9794 6.0162 6.0901 6.1759 6.3638 6.4153 6.4880 6.5916 6.8015 6.8633 6.9317 6.9956 7.6562 7.8118 7.8939 7.9335 8.4627 8.4974 8.7473 8.7797 8.9450 8.9801 9.6259 9.7478 9.9882 9.9988 10.1294 10.2270 10.6921 10.7228 10.7727 10.7874 11.0508 11.1917 k = 0.4375 0.3969 0.5330 ( 6928 PWs) bands (ev): -2.7150 -2.7132 -2.3525 -2.3520 -2.2794 -2.2783 -2.0772 -2.0744 -1.7517 -1.7500 -1.3130 -1.3122 2.9406 2.9453 3.6195 3.6490 3.8065 3.8210 4.0677 4.0784 4.2711 4.2889 4.3344 4.3487 4.6775 4.7441 4.8622 4.9124 5.0444 5.0977 5.2067 5.2546 5.2822 5.3609 5.4075 5.4234 5.8076 5.8557 5.9869 6.0419 6.0826 6.1857 6.3649 6.4092 6.4852 6.6007 6.7768 6.8635 6.9247 6.9839 7.6226 7.7815 7.8566 7.9208 8.4754 8.5123 8.7487 8.7792 8.9296 8.9903 9.6269 9.7767 10.0271 10.0636 10.1749 10.2674 10.6951 10.7277 10.7850 10.8182 11.0690 11.2293 k = 0.4271 0.4150 0.5330 ( 6932 PWs) bands (ev): -2.6998 -2.6977 -2.3500 -2.3499 -2.2796 -2.2776 -2.0676 -2.0645 -1.7643 -1.7622 -1.3441 -1.3432 2.9890 2.9938 3.6174 3.6517 3.7881 3.8034 4.0457 4.0598 4.2646 4.2744 4.3174 4.3383 4.6857 4.7505 4.8729 4.9168 5.0501 5.1036 5.2103 5.2535 5.2784 5.3668 5.4166 5.4375 5.8130 5.8697 5.9934 6.0697 6.0771 6.1960 6.3674 6.3986 6.4854 6.6098 6.7514 6.8625 6.9204 6.9732 7.5865 7.7423 7.8139 7.9032 8.4931 8.5313 8.7478 8.7795 8.9198 9.0067 9.6301 9.8104 10.0605 10.1296 10.2283 10.3060 10.6962 10.7330 10.7995 10.8550 11.0953 11.2671 k = 0.4167 0.4330 0.5330 ( 6924 PWs) bands (ev): -2.6822 -2.6798 -2.3480 -2.3474 -2.2812 -2.2780 -2.0566 -2.0530 -1.7780 -1.7752 -1.3773 -1.3763 3.0416 3.0462 3.6153 3.6544 3.7705 3.7864 4.0212 4.0391 4.2581 4.2581 4.2984 4.3270 4.6941 4.7542 4.8848 4.9202 5.0585 5.1050 5.2150 5.2479 5.2801 5.3753 5.4280 5.4532 5.8191 5.8820 5.9980 6.0752 6.0982 6.2071 6.3705 6.3852 6.4870 6.6188 6.7269 6.8571 6.9197 6.9690 7.5481 7.6987 7.7669 7.8767 8.5153 8.5569 8.7435 8.7803 8.9164 9.0271 9.6351 9.8480 10.0886 10.1949 10.2866 10.3411 10.6962 10.7388 10.8147 10.8968 11.1288 11.2986 k = 0.4062 0.4511 0.5330 ( 6916 PWs) bands (ev): -2.6624 -2.6598 -2.3469 -2.3455 -2.2841 -2.2795 -2.0442 -2.0402 -1.7924 -1.7889 -1.4113 -1.4102 3.0967 3.1006 3.6134 3.6570 3.7545 3.7706 3.9946 4.0165 4.2411 4.2516 4.2782 4.3146 4.7025 4.7562 4.8965 4.9232 5.0686 5.1018 5.2200 5.2396 5.2864 5.3850 5.4412 5.4703 5.8259 5.8917 5.9992 6.0790 6.1258 6.2194 6.3701 6.3732 6.4886 6.6273 6.7047 6.8440 6.9238 6.9764 7.5076 7.6534 7.7169 7.8406 8.5412 8.5901 8.7364 8.7808 8.9182 9.0493 9.6415 9.8884 10.1117 10.2578 10.3472 10.3720 10.6964 10.7450 10.8287 10.9424 11.1672 11.3106 k = 0.3958 0.4691 0.5330 ( 6912 PWs) bands (ev): -2.6404 -2.6375 -2.3476 -2.3455 -2.2880 -2.2820 -2.0304 -2.0260 -1.8074 -1.8031 -1.4448 -1.4438 3.1524 3.1551 3.6122 3.6597 3.7407 3.7568 3.9662 3.9924 4.2243 4.2452 4.2578 4.3016 4.7106 4.7570 4.9073 4.9260 5.0788 5.0954 5.2244 5.2308 5.2955 5.3947 5.4557 5.4878 5.8338 5.8985 5.9961 6.0899 6.1506 6.2335 6.3540 6.3749 6.4897 6.6344 6.6857 6.8240 6.9346 6.9967 7.4655 7.6084 7.6657 7.7964 8.5694 8.6298 8.7281 8.7807 8.9230 9.0713 9.6488 9.9306 10.1304 10.3158 10.3988 10.4080 10.6985 10.7512 10.8399 10.9899 11.2055 11.2944 k = 0.3854 0.4871 0.5330 ( 6910 PWs) bands (ev): -2.6162 -2.6130 -2.3519 -2.3494 -2.2913 -2.2843 -2.0153 -2.0105 -1.8233 -1.8181 -1.4764 -1.4755 3.2062 3.2071 3.6126 3.6627 3.7303 3.7457 3.9364 3.9672 4.2091 4.2382 4.2391 4.2881 4.7184 4.7571 4.9172 4.9290 5.0868 5.0874 5.2234 5.2275 5.3052 5.4038 5.4704 5.5045 5.8427 5.9029 5.9890 6.1072 6.1712 6.2497 6.3370 6.3749 6.4906 6.6395 6.6704 6.7997 6.9538 7.0286 7.4222 7.5647 7.6150 7.7467 8.5982 8.6736 8.7198 8.7805 8.9284 9.0911 9.6564 9.9735 10.1452 10.3639 10.4255 10.4673 10.7034 10.7569 10.8473 11.0372 11.2369 11.2586 k = 0.3750 0.5052 0.5330 ( 6918 PWs) bands (ev): -2.5899 -2.5864 -2.3615 -2.3597 -2.2924 -2.2855 -1.9989 -1.9938 -1.8403 -1.8343 -1.5045 -1.5038 3.2538 3.2549 3.6158 3.6656 3.7247 3.7377 3.9054 3.9415 4.1965 4.2207 4.2330 4.2747 4.7257 4.7566 4.9262 4.9323 5.0791 5.0906 5.2193 5.2296 5.3139 5.4118 5.4845 5.5187 5.8528 5.9058 5.9787 6.1291 6.1871 6.2676 6.3192 6.3730 6.4915 6.6420 6.6597 6.7735 6.9821 7.0699 7.3786 7.5228 7.5667 7.6950 8.6262 8.7127 8.7157 8.7829 8.9322 9.1074 9.6638 10.0160 10.1563 10.3932 10.4607 10.5227 10.7112 10.7620 10.8496 11.0803 11.2167 11.2555 k = 0.3646 0.5232 0.5330 ( 6914 PWs) bands (ev): -2.5614 -2.5577 -2.3773 -2.3771 -2.2909 -2.2851 -1.9813 -1.9759 -1.8587 -1.8519 -1.5275 -1.5270 3.2920 3.2948 3.6231 3.6669 3.7264 3.7342 3.8736 3.9159 4.1875 4.2061 4.2275 4.2617 4.7325 4.7556 4.9342 4.9359 5.0714 5.0896 5.2189 5.2307 5.3208 5.4184 5.4973 5.5289 5.8639 5.9080 5.9664 6.1536 6.1987 6.2824 6.3040 6.3690 6.4928 6.6399 6.6561 6.7469 7.0190 7.1178 7.3371 7.4824 7.5223 7.6450 8.6513 8.7079 8.7417 8.7996 8.9326 9.1195 9.6703 10.0566 10.1637 10.4058 10.5038 10.5709 10.7204 10.7664 10.8456 11.1082 11.1852 11.2606 k = 0.3542 0.5413 0.5330 ( 6918 PWs) bands (ev): -2.5310 -2.5271 -2.4010 -2.3993 -2.2878 -2.2837 -1.9626 -1.9568 -1.8788 -1.8715 -1.5442 -1.5440 3.3196 3.3228 3.6345 3.6651 3.7368 3.7369 3.8415 3.8919 4.1830 4.1951 4.2228 4.2499 4.7385 4.7539 4.9397 4.9409 5.0648 5.0852 5.2215 5.2309 5.3256 5.4233 5.5087 5.5340 5.8757 5.9095 5.9535 6.1791 6.2071 6.2723 6.3114 6.3627 6.4948 6.6342 6.6600 6.7214 7.0624 7.1625 7.3063 7.4421 7.4831 7.6017 8.6706 8.7074 8.7445 8.8345 8.9278 9.1271 9.6754 10.0939 10.1665 10.4107 10.5468 10.6059 10.7288 10.7717 10.8345 11.0990 11.1912 11.2561 k = 0.3438 0.5593 0.5330 ( 6922 PWs) bands (ev): -2.4986 -2.4946 -2.4303 -2.4268 -2.2846 -2.2824 -1.9427 -1.9368 -1.9001 -1.8926 -1.5542 -1.5541 3.3358 3.3378 3.6465 3.6606 3.7485 3.7519 3.8100 3.8722 4.1828 4.1882 4.2192 4.2406 4.7438 4.7515 4.9433 4.9453 5.0603 5.0803 5.2251 5.2301 5.3282 5.4263 5.5188 5.5335 5.8879 5.9080 5.9432 6.2040 6.2133 6.2504 6.3273 6.3536 6.4969 6.6294 6.6686 6.6989 7.1080 7.1753 7.3135 7.4005 7.4509 7.5714 8.6801 8.7147 8.7378 8.8705 8.9167 9.1307 9.6789 10.1257 10.1628 10.4127 10.5849 10.6201 10.7346 10.7816 10.8167 11.0784 11.2140 11.2462 k = 0.3333 0.5774 0.5330 ( 6906 PWs) bands (ev): -2.4645 -2.4645 -2.4639 -2.4548 -2.2824 -2.2824 -1.9238 -1.9195 -1.9195 -1.9108 -1.5573 -1.5573 3.3415 3.3415 3.6549 3.6549 3.7619 3.7619 3.7882 3.8636 4.1849 4.1849 4.2177 4.2364 4.7482 4.7482 4.9459 4.9459 5.0586 5.0780 5.2283 5.2283 5.3290 5.4273 5.5276 5.5276 5.8999 5.8999 5.9395 6.2170 6.2269 6.2269 6.3417 6.3417 6.4979 6.6274 6.6812 6.6812 7.1490 7.1490 7.3580 7.3580 7.4332 7.5600 8.6820 8.7269 8.7269 8.8984 8.8984 9.1315 9.6802 10.1496 10.1496 10.4133 10.6115 10.6115 10.7369 10.7969 10.7969 11.0703 11.2329 11.2329 k = 0.3333 0.5774 0.5330 ( 6906 PWs) bands (ev): -2.4645 -2.4645 -2.4639 -2.4548 -2.2824 -2.2824 -1.9238 -1.9195 -1.9195 -1.9108 -1.5573 -1.5573 3.3415 3.3415 3.6549 3.6549 3.7619 3.7619 3.7882 3.8636 4.1849 4.1849 4.2177 4.2364 4.7482 4.7482 4.9459 4.9459 5.0586 5.0780 5.2283 5.2283 5.3290 5.4273 5.5276 5.5276 5.8999 5.8999 5.9395 6.2170 6.2269 6.2269 6.3417 6.3417 6.4979 6.6274 6.6812 6.6812 7.1490 7.1490 7.3580 7.3580 7.4332 7.5600 8.6820 8.7269 8.7269 8.8984 8.8984 9.1315 9.6802 10.1496 10.1496 10.4133 10.6115 10.6115 10.7369 10.7969 10.7969 11.0703 11.2329 11.2329 k = 0.3229 0.5593 0.5330 ( 6912 PWs) bands (ev): -2.5021 -2.4965 -2.4281 -2.4231 -2.2851 -2.2827 -1.9419 -1.9370 -1.8996 -1.8925 -1.5544 -1.5544 3.3366 3.3388 3.6488 3.6589 3.7398 3.7568 3.8109 3.8728 4.1840 4.1848 4.2198 4.2421 4.7439 4.7514 4.9413 4.9468 5.0605 5.0809 5.2252 5.2297 5.3284 5.4264 5.5171 5.5354 5.8860 5.9111 5.9418 6.1991 6.2220 6.2461 6.3277 6.3536 6.4965 6.6296 6.6704 6.6975 7.1111 7.1746 7.3195 7.3717 7.4696 7.5726 8.6809 8.7129 8.7387 8.8727 8.9134 9.1311 9.6783 10.1239 10.1627 10.4119 10.5889 10.6170 10.7313 10.7914 10.8129 11.0774 11.2151 11.2443 k = 0.3125 0.5413 0.5330 ( 6908 PWs) bands (ev): -2.5431 -2.5364 -2.3904 -2.3853 -2.2917 -2.2867 -1.9587 -1.9554 -1.8769 -1.8697 -1.5463 -1.5462 3.3259 3.3300 3.6427 3.6595 3.7108 3.7398 3.8458 3.8943 4.1805 4.1835 4.2272 4.2587 4.7384 4.7532 4.9315 4.9454 5.0665 5.0898 5.2207 5.2287 5.3269 5.4240 5.5030 5.5422 5.8698 5.9209 5.9467 6.1725 6.2229 6.2582 6.3151 6.3629 6.4923 6.6361 6.6670 6.7171 7.0734 7.1729 7.2943 7.3564 7.5452 7.6103 8.6774 8.6960 8.7487 8.8409 8.9131 9.1301 9.6706 10.0854 10.1612 10.4040 10.5632 10.6002 10.7145 10.8129 10.8251 11.0934 11.1891 11.2508 k = 0.3021 0.5232 0.5330 ( 6904 PWs) bands (ev): -2.5867 -2.5792 -2.3513 -2.3464 -2.3028 -2.2953 -1.9706 -1.9693 -1.8533 -1.8459 -1.5339 -1.5337 3.3117 3.3171 3.6365 3.6543 3.6870 3.7188 3.8817 3.9199 4.1741 4.1823 4.2401 4.2828 4.7318 4.7536 4.9177 4.9415 5.0762 5.1038 5.2147 5.2249 5.3252 5.4204 5.4864 5.5479 5.8528 5.9287 5.9524 6.1451 6.2214 6.2553 6.3124 6.3703 6.4862 6.6465 6.6698 6.7393 7.0404 7.1452 7.2838 7.3389 7.6275 7.6691 8.6678 8.6762 8.7576 8.8066 8.8979 9.1274 9.6518 10.0397 10.1413 10.3829 10.5388 10.5739 10.6981 10.8324 10.8492 11.1080 11.1513 11.2600 k = 0.2917 0.5052 0.5330 ( 6914 PWs) bands (ev): -2.6324 -2.6242 -2.3244 -2.3176 -2.3027 -2.3009 -1.9773 -1.9766 -1.8289 -1.8214 -1.5183 -1.5180 3.2956 3.3018 3.6289 3.6356 3.6780 3.6988 3.9160 3.9458 4.1672 4.1805 4.2573 4.3107 4.7239 4.7524 4.9015 4.9355 5.0882 5.1210 5.2069 5.2186 5.3239 5.4163 5.4689 5.5521 5.8356 5.9338 5.9580 6.1178 6.2167 6.2376 6.3206 6.3774 6.4793 6.6597 6.6760 6.7633 7.0148 7.1067 7.2786 7.3224 7.7085 7.7415 8.6455 8.6534 8.7589 8.7846 8.8702 9.1205 9.6142 9.9978 10.0993 10.3468 10.5134 10.5461 10.6916 10.8362 10.8896 11.1035 11.1127 11.2796 k = 0.2812 0.4871 0.5330 ( 6914 PWs) bands (ev): -2.6795 -2.6709 -2.3446 -2.3324 -2.2659 -2.2605 -1.9790 -1.9766 -1.8040 -1.7963 -1.5001 -1.4998 3.2789 3.2852 3.6093 3.6176 3.6786 3.6839 3.9482 3.9709 4.1608 4.1785 4.2770 4.3396 4.7148 4.7495 4.8842 4.9278 5.1005 5.1390 5.1978 5.2106 5.3233 5.4121 5.4523 5.5545 5.8180 5.9351 5.9631 6.0914 6.2089 6.2143 6.3323 6.3856 6.4722 6.6744 6.6823 6.7875 6.9991 7.0680 7.2740 7.3073 7.7837 7.8198 8.6048 8.6278 8.7359 8.7991 8.8332 9.1069 9.5527 9.9698 10.0339 10.3015 10.4816 10.5152 10.6994 10.8402 10.9219 11.0591 11.1070 11.3083 k = 0.2708 0.4691 0.5330 ( 6900 PWs) bands (ev): -2.7276 -2.7187 -2.3710 -2.3572 -2.2225 -2.2169 -1.9748 -1.9711 -1.7785 -1.7707 -1.4800 -1.4797 3.2626 3.2687 3.5823 3.6010 3.6768 3.6829 3.9783 3.9950 4.1552 4.1764 4.2974 4.3674 4.7047 4.7449 4.8666 4.9188 5.1105 5.1529 5.1876 5.2047 5.3228 5.4081 5.4389 5.5550 5.7999 5.9310 5.9672 6.0671 6.1899 6.1991 6.3443 6.3958 6.4648 6.6860 6.6890 6.8099 6.9951 7.0353 7.2694 7.2933 7.8493 7.8974 8.5479 8.5995 8.7097 8.7895 8.8291 9.0846 9.4704 9.9483 9.9575 10.2519 10.4398 10.4808 10.7193 10.8487 10.9160 11.0539 11.0937 11.3354 k = 0.2604 0.4511 0.5330 ( 6908 PWs) bands (ev): -2.7763 -2.7673 -2.4007 -2.3860 -2.1777 -2.1719 -1.9657 -1.9611 -1.7526 -1.7447 -1.4588 -1.4585 3.2474 3.2530 3.5562 3.5803 3.6765 3.6894 4.0066 4.0182 4.1506 4.1743 4.3172 4.3927 4.6937 4.7387 4.8495 4.9089 5.1156 5.1536 5.1775 5.2086 5.3208 5.4047 5.4320 5.5532 5.7809 5.9196 5.9697 6.0468 6.1671 6.1889 6.3557 6.4077 6.4570 6.6854 6.7014 6.8270 7.0034 7.0139 7.2656 7.2804 7.9019 7.9676 8.4800 8.5690 8.6806 8.7412 8.8698 9.0515 9.3770 9.8484 9.9556 10.1986 10.3904 10.4467 10.7443 10.8641 10.8761 11.0749 11.0916 11.3520 k = 0.2500 0.4330 0.5330 ( 6900 PWs) bands (ev): -2.8252 -2.8162 -2.4326 -2.4175 -2.1318 -2.1259 -1.9524 -1.9473 -1.7263 -1.7184 -1.4368 -1.4366 3.2341 3.2390 3.5316 3.5581 3.6812 3.6980 4.0335 4.0404 4.1475 4.1721 4.3351 4.4146 4.6824 4.7312 4.8333 4.8984 5.1136 5.1408 5.1686 5.2218 5.3149 5.4021 5.4339 5.5490 5.7606 5.9000 5.9697 6.0313 6.1480 6.1800 6.3661 6.4193 6.4499 6.6805 6.7091 6.8360 7.0082 7.0227 7.2633 7.2685 7.9399 8.0241 8.4052 8.5369 8.6468 8.6898 8.9184 9.0043 9.2839 9.7402 9.9582 10.1413 10.3412 10.4176 10.7604 10.8459 10.8846 11.0543 11.1435 11.3653 k = 0.2396 0.4150 0.5330 ( 6904 PWs) bands (ev): -2.8740 -2.8650 -2.4658 -2.4505 -2.0850 -2.0790 -1.9360 -1.9306 -1.6999 -1.6919 -1.4146 -1.4145 3.2232 3.2273 3.5087 3.5359 3.6894 3.7085 4.0589 4.0611 4.1461 4.1701 4.3504 4.4328 4.6714 4.7226 4.8185 4.8876 5.1042 5.1212 5.1612 5.2365 5.3047 5.4001 5.4444 5.5425 5.7387 5.8734 5.9660 6.0195 6.1345 6.1739 6.3751 6.4225 6.4507 6.6722 6.7091 6.8394 7.0174 7.0507 7.2577 7.2640 7.9630 8.0610 8.3259 8.5037 8.6073 8.6361 8.9392 8.9694 9.2009 9.6282 9.9608 10.0832 10.3025 10.3968 10.7467 10.8566 10.9044 11.0403 11.1999 11.3844 k = 0.2292 0.3969 0.5330 ( 6900 PWs) bands (ev): -2.9222 -2.9134 -2.4996 -2.4844 -2.0376 -2.0315 -1.9170 -1.9115 -1.6733 -1.6654 -1.3926 -1.3925 3.2153 3.2184 3.4879 3.5145 3.7006 3.7210 4.0794 4.0826 4.1477 4.1686 4.3625 4.4469 4.6614 4.7134 4.8052 4.8767 5.0892 5.0980 5.1544 5.2493 5.2915 5.3982 5.4604 5.5338 5.7152 5.8424 5.9581 6.0094 6.1278 6.1707 6.3824 6.4133 6.4626 6.6617 6.6999 6.8428 7.0346 7.0840 7.2485 7.2694 7.9722 8.0746 8.2441 8.4685 8.5625 8.5799 8.8571 9.0138 9.1310 9.5164 9.9629 10.0314 10.2829 10.3863 10.7226 10.8912 10.9143 11.0445 11.2579 11.4101 k = 0.2188 0.3789 0.5330 ( 6900 PWs) bands (ev): -2.9697 -2.9611 -2.5334 -2.5185 -1.9897 -1.9836 -1.8959 -1.8905 -1.6468 -1.6389 -1.3711 -1.3710 3.2107 3.2128 3.4694 3.4945 3.7143 3.7352 4.0935 4.1031 4.1537 4.1688 4.3711 4.4569 4.6530 4.7039 4.7939 4.8660 5.0706 5.0720 5.1470 5.2591 5.2765 5.3950 5.4785 5.5240 5.6902 5.8093 5.9463 5.9995 6.1278 6.1705 6.3878 6.3994 6.4773 6.6501 6.6831 6.8491 7.0525 7.1184 7.2424 7.2815 7.9691 8.0649 8.1617 8.4292 8.5130 8.5202 8.7662 9.0397 9.0684 9.4078 9.9689 9.9962 10.2858 10.3862 10.7060 10.9124 10.9330 11.0702 11.3163 11.4406 k = 0.2083 0.3608 0.5330 ( 6900 PWs) bands (ev): -3.0161 -3.0078 -2.5668 -2.5524 -1.9416 -1.9355 -1.8731 -1.8678 -1.6204 -1.6125 -1.3504 -1.3502 3.2099 3.2108 3.4533 3.4763 3.7303 3.7513 4.1018 4.1166 4.1655 4.1743 4.3762 4.4631 4.6468 4.6945 4.7846 4.8558 5.0440 5.0498 5.1386 5.2604 5.2657 5.3883 5.4960 5.5146 5.6643 5.7759 5.9318 5.9888 6.1332 6.1723 6.3835 6.3911 6.4912 6.6388 6.6622 6.8575 7.0661 7.1469 7.2436 7.3015 7.9550 8.0355 8.0812 8.3814 8.4561 8.4598 8.6767 9.0045 9.0355 9.3056 9.9861 9.9870 10.3097 10.3965 10.7015 10.9071 10.9780 11.1097 11.3745 11.4742 k = 0.1979 0.3428 0.5330 ( 6894 PWs) bands (ev): -3.0613 -3.0533 -2.5996 -2.5856 -1.8939 -1.8877 -1.8485 -1.8434 -1.5942 -1.5865 -1.3308 -1.3305 3.2129 3.2131 3.4398 3.4601 3.7484 3.7689 4.1053 4.1198 4.1817 4.1882 4.3779 4.4657 4.6432 4.6855 4.7776 4.8466 5.0142 5.0276 5.1291 5.2434 5.2695 5.3756 5.5074 5.5108 5.6386 5.7435 5.9158 5.9768 6.1423 6.1753 6.3666 6.3922 6.5022 6.6293 6.6396 6.8663 7.0736 7.1606 7.2580 7.3283 7.9289 7.9915 8.0075 8.3186 8.3920 8.4039 8.5958 8.9338 8.9968 9.2108 10.0071 10.0189 10.3517 10.4167 10.7109 10.9047 11.0253 11.1563 11.4319 11.5097 k = 0.1875 0.3248 0.5330 ( 6886 PWs) bands (ev): -3.1051 -3.0974 -2.6315 -2.6181 -1.8479 -1.8418 -1.8213 -1.8164 -1.5684 -1.5609 -1.3126 -1.3122 3.2191 3.2205 3.4290 3.4462 3.7683 3.7879 4.1058 4.1148 4.2001 4.2079 4.3768 4.4653 4.6422 4.6769 4.7732 4.8388 4.9829 5.0043 5.1183 5.2256 5.2708 5.3558 5.5033 5.5210 5.6148 5.7127 5.8995 5.9627 6.1533 6.1785 6.3493 6.3915 6.5082 6.6170 6.6239 6.8744 7.0752 7.1592 7.2823 7.3588 7.8844 7.9379 7.9509 8.2378 8.3338 8.3467 8.5253 8.8549 8.9310 9.1209 10.0514 10.0665 10.4099 10.4465 10.7358 10.9080 11.0747 11.2069 11.4882 11.5462 k = 0.1771 0.3067 0.5330 ( 6884 PWs) bands (ev): -3.1473 -3.1400 -2.6623 -2.6495 -1.8089 -1.8033 -1.7866 -1.7816 -1.5431 -1.5358 -1.2960 -1.2955 3.2296 3.2324 3.4212 3.4347 3.7899 3.8082 4.1045 4.1048 4.2190 4.2298 4.3736 4.4627 4.6436 4.6686 4.7714 4.8326 4.9506 4.9800 5.1061 5.2073 5.2693 5.3298 5.5018 5.5238 5.5957 5.6843 5.8833 5.9462 6.1646 6.1808 6.3321 6.3893 6.5075 6.5950 6.6245 6.8809 7.0725 7.1495 7.3055 7.3878 7.8255 7.8791 7.9117 8.1476 8.2803 8.2893 8.4639 8.7694 8.8507 9.0326 10.1102 10.1246 10.4833 10.4851 10.7770 10.9178 11.1267 11.2600 11.5430 11.5833 k = 0.1667 0.2887 0.5330 ( 6892 PWs) bands (ev): -3.1877 -3.1808 -2.6919 -2.6798 -1.7787 -1.7737 -1.7432 -1.7378 -1.5185 -1.5114 -1.2811 -1.2805 3.2447 3.2487 3.4164 3.4257 3.8129 3.8296 4.0914 4.1020 4.2373 4.2518 4.3693 4.4588 4.6468 4.6603 4.7724 4.8284 4.9176 4.9544 5.0924 5.1886 5.2632 5.3013 5.5016 5.5174 5.5840 5.6586 5.8675 5.9267 6.1747 6.1813 6.3158 6.3865 6.5006 6.5739 6.6309 6.8851 7.0665 7.1352 7.3192 7.4092 7.7684 7.8178 7.8783 8.0594 8.2292 8.2329 8.4097 8.6798 8.7659 8.9449 10.1747 10.1890 10.5310 10.5702 10.8343 10.9342 11.1819 11.3149 11.5963 11.6206 k = 0.1562 0.2706 0.5330 ( 6884 PWs) bands (ev): -3.2262 -3.2197 -2.7201 -2.7087 -1.7509 -1.7463 -1.6976 -1.6923 -1.4946 -1.4877 -1.2680 -1.2674 3.2642 3.2696 3.4148 3.4195 3.8370 3.8516 4.0754 4.0983 4.2540 4.2721 4.3655 4.4545 4.6514 4.6519 4.7758 4.8261 4.8846 4.9273 5.0775 5.1702 5.2447 5.2796 5.5010 5.5039 5.5781 5.6365 5.8523 5.9038 6.1782 6.1821 6.3014 6.3842 6.4895 6.5535 6.6414 6.8867 7.0583 7.1174 7.3173 7.4165 7.7218 7.7541 7.8463 7.9843 8.1789 8.1805 8.3614 8.5890 8.6825 8.8592 10.2399 10.2562 10.5826 10.6681 10.9059 10.9574 11.2415 11.3712 11.6479 11.6580 k = 0.1458 0.2526 0.5330 ( 6880 PWs) bands (ev): -3.2627 -3.2565 -2.7468 -2.7361 -1.7237 -1.7194 -1.6525 -1.6472 -1.4715 -1.4649 -1.2570 -1.2563 3.2881 3.2948 3.4162 3.4167 3.8618 3.8740 4.0573 4.0937 4.2684 4.2882 4.3642 4.4506 4.6435 4.6567 4.7809 4.8250 4.8529 4.8987 5.0617 5.1528 5.2121 5.2680 5.4880 5.4987 5.5737 5.6188 5.8376 5.8777 6.1698 6.1852 6.2904 6.3835 6.4767 6.5334 6.6539 6.8856 7.0480 7.0965 7.2979 7.4052 7.6846 7.6871 7.8156 7.9333 8.1285 8.1349 8.3185 8.4996 8.6032 8.7780 10.3041 10.3248 10.6377 10.7726 10.9872 10.9877 11.3077 11.4287 11.6954 11.6977 k = 0.1354 0.2345 0.5330 ( 6878 PWs) bands (ev): -3.2970 -3.2913 -2.7720 -2.7621 -1.6965 -1.6926 -1.6084 -1.6034 -1.4494 -1.4432 -1.2481 -1.2473 3.3162 3.3241 3.4158 3.4222 3.8870 3.8965 4.0376 4.0883 4.2798 4.2971 4.3682 4.4474 4.6351 4.6618 4.7848 4.8227 4.8263 4.8709 5.0455 5.1372 5.1748 5.2581 5.4724 5.4938 5.5681 5.6060 5.8234 5.8486 6.1546 6.1834 6.2837 6.3850 6.4641 6.5134 6.6667 6.8818 7.0358 7.0726 7.2639 7.3764 7.6069 7.6599 7.7875 7.9092 8.0827 8.0940 8.2801 8.4143 8.5292 8.7034 10.3675 10.3941 10.6951 10.8765 11.0280 11.0720 11.3825 11.4875 11.7326 11.7457 k = 0.1250 0.2165 0.5330 ( 6882 PWs) bands (ev): -3.3291 -3.3238 -2.7956 -2.7864 -1.6696 -1.6659 -1.5659 -1.5611 -1.4284 -1.4225 -1.2412 -1.2405 3.3481 3.3569 3.4187 3.4318 3.9121 3.9185 4.0168 4.0822 4.2878 4.2975 4.3780 4.4440 4.6275 4.6652 4.7774 4.8108 4.8162 4.8526 5.0293 5.1244 5.1369 5.2473 5.4577 5.4860 5.5604 5.5974 5.8099 5.8178 6.1320 6.1765 6.2815 6.3880 6.4528 6.4934 6.6784 6.8759 7.0213 7.0459 7.2216 7.3358 7.5245 7.6326 7.7638 7.9032 8.0423 8.0595 8.2441 8.3370 8.4606 8.6375 10.4310 10.4636 10.7536 10.9666 11.0872 11.1539 11.4677 11.5475 11.7697 11.7918 k = 0.1146 0.1985 0.5330 ( 6898 PWs) bands (ev): -3.3589 -3.3541 -2.8175 -2.8090 -1.6429 -1.6395 -1.5253 -1.5208 -1.4086 -1.4032 -1.2365 -1.2358 3.3824 3.3918 3.4260 3.4466 3.9362 3.9396 3.9954 4.0758 4.2921 4.2924 4.3899 4.4387 4.6214 4.6646 4.7621 4.7850 4.8220 4.8489 5.0135 5.1002 5.1151 5.2354 5.4439 5.4760 5.5500 5.5909 5.7871 5.7971 6.1030 6.1652 6.2828 6.3901 6.4438 6.4746 6.6872 6.8686 7.0042 7.0173 7.1770 7.2891 7.4435 7.5996 7.7455 7.9023 8.0075 8.0333 8.2043 8.2763 8.3973 8.5815 10.4950 10.5330 10.8128 11.0309 11.1730 11.2294 11.5623 11.6087 11.8070 11.8363 k = 0.1042 0.1804 0.5330 ( 6902 PWs) bands (ev): -3.3864 -3.3820 -2.8376 -2.8299 -1.6165 -1.6135 -1.4870 -1.4828 -1.3900 -1.3851 -1.2339 -1.2332 3.4132 3.4252 3.4432 3.4698 3.9577 3.9587 3.9755 4.0696 4.2833 4.2938 4.3995 4.4287 4.6178 4.6579 4.7535 4.7567 4.8316 4.8505 4.9988 5.0660 5.1098 5.2230 5.4306 5.4645 5.5370 5.5828 5.7598 5.7853 6.0688 6.1502 6.2864 6.3862 6.4375 6.4609 6.6910 6.8606 6.9848 6.9892 7.1341 7.2383 7.3706 7.5601 7.7312 7.8968 7.9781 8.0156 8.1544 8.2422 8.3385 8.5360 10.5595 10.6015 10.8719 11.0786 11.2726 11.2980 11.6625 11.6707 11.8451 11.8797 k = 0.0938 0.1624 0.5330 ( 6906 PWs) bands (ev): -3.4113 -3.4074 -2.8558 -2.8489 -1.5907 -1.5879 -1.4512 -1.4475 -1.3728 -1.3684 -1.2333 -1.2326 3.4321 3.4532 3.4783 3.5046 3.9494 3.9784 3.9805 4.0642 4.2722 4.2919 4.4035 4.4120 4.6169 4.6473 4.7328 4.7540 4.8409 4.8522 4.9858 5.0354 5.1083 5.2111 5.4173 5.4521 5.5213 5.5690 5.7399 5.7746 6.0310 6.1324 6.2913 6.3711 6.4340 6.4570 6.6872 6.8525 6.9638 6.9653 7.0946 7.1821 7.3117 7.5158 7.7184 7.8835 7.9540 8.0002 8.1055 8.2288 8.2841 8.5003 10.6238 10.6681 10.9302 11.1198 11.3612 11.3724 11.7324 11.7621 11.8851 11.9229 k = 0.0833 0.1443 0.5330 ( 6892 PWs) bands (ev): -3.4338 -3.4302 -2.8722 -2.8661 -1.5655 -1.5631 -1.4184 -1.4150 -1.3570 -1.3531 -1.2345 -1.2339 3.4471 3.4777 3.5224 3.5482 3.9291 3.9940 3.9959 4.0604 4.2593 4.2856 4.3890 4.3999 4.6176 4.6377 4.7173 4.7605 4.8484 4.8522 4.9755 5.0096 5.1105 5.2008 5.4041 5.4386 5.5033 5.5476 5.7300 5.7651 5.9912 6.1121 6.2965 6.3466 6.4335 6.4610 6.6741 6.8439 6.9429 6.9493 7.0589 7.1216 7.2689 7.4691 7.7056 7.8638 7.9352 7.9786 8.0699 8.2288 8.2339 8.4729 10.6868 10.7316 10.9870 11.1576 11.4207 11.4662 11.7920 11.8535 11.9287 11.9689 k = 0.0729 0.1263 0.5330 ( 6908 PWs) bands (ev): -3.4537 -3.4506 -2.8868 -2.8814 -1.5413 -1.5391 -1.3889 -1.3861 -1.3427 -1.3394 -1.2375 -1.2369 3.4629 3.5017 3.5701 3.5963 3.9095 4.0042 4.0094 4.0589 4.2444 4.2721 4.3642 4.3886 4.6173 4.6318 4.7126 4.7698 4.8500 4.8536 4.9682 4.9891 5.1157 5.1927 5.3912 5.4237 5.4836 5.5210 5.7287 5.7567 5.9513 6.0893 6.3012 6.3187 6.4361 6.4686 6.6525 6.8330 6.9233 6.9423 7.0269 7.0633 7.2380 7.4217 7.6923 7.8384 7.9215 7.9522 8.0480 8.1879 8.2380 8.4518 10.7472 10.7905 11.0416 11.1925 11.4777 11.5508 11.8477 11.9275 11.9773 12.0230 k = 0.0625 0.1083 0.5330 ( 6912 PWs) bands (ev): -3.4710 -3.4684 -2.8994 -2.8948 -1.5183 -1.5164 -1.3630 -1.3608 -1.3298 -1.3273 -1.2418 -1.2413 3.4802 3.5259 3.6196 3.6464 3.8922 4.0088 4.0199 4.0594 4.2270 4.2473 4.3441 4.3717 4.6147 4.6290 4.7187 4.7801 4.8460 4.8569 4.9630 4.9738 5.1232 5.1864 5.3793 5.4068 5.4629 5.4942 5.7326 5.7490 5.9136 6.0640 6.2918 6.3040 6.4421 6.4773 6.6262 6.8163 6.9043 6.9411 7.0003 7.0171 7.2143 7.3746 7.6791 7.8080 7.9126 7.9303 8.0324 8.1462 8.2529 8.4352 10.8032 10.8434 11.0931 11.2239 11.5326 11.6238 11.8999 11.9805 12.0302 12.0859 k = 0.0521 0.0902 0.5330 ( 6912 PWs) bands (ev): -3.4856 -3.4834 -2.9101 -2.9062 -1.4968 -1.4952 -1.3413 -1.3399 -1.3182 -1.3166 -1.2470 -1.2466 3.4989 3.5496 3.6695 3.6963 3.8787 4.0089 4.0271 4.0598 4.2069 4.2123 4.3307 4.3527 4.6110 4.6273 4.7330 4.7907 4.8412 4.8590 4.9584 4.9623 5.1323 5.1813 5.3689 5.3884 5.4429 5.4714 5.7370 5.7415 5.8817 6.0361 6.2693 6.3040 6.4515 6.4857 6.5997 6.7903 6.8838 6.9366 6.9853 6.9923 7.1948 7.3288 7.6669 7.7750 7.9079 7.9166 8.0193 8.1088 8.2708 8.4213 10.8536 10.8891 11.1406 11.2509 11.5852 11.6828 11.9509 12.0204 12.0839 12.1472 k = 0.0417 0.0722 0.5330 ( 6920 PWs) bands (ev): -3.4977 -3.4959 -2.9188 -2.9157 -1.4774 -1.4761 -1.3243 -1.3238 -1.3080 -1.3073 -1.2525 -1.2522 3.5185 3.5709 3.7183 3.7436 3.8717 4.0056 4.0307 4.0577 4.1734 4.1838 4.3212 4.3347 4.6075 4.6249 4.7528 4.8015 4.8370 4.8603 4.9527 4.9529 5.1421 5.1764 5.3600 5.3702 5.4258 5.4545 5.7336 5.7373 5.8605 6.0063 6.2532 6.2999 6.4645 6.4932 6.5771 6.7539 6.8652 6.9209 6.9877 6.9883 7.1779 7.2850 7.6570 7.7428 7.9065 7.9100 8.0077 8.0758 8.2897 8.4089 10.8970 10.9267 11.1832 11.2727 11.6344 11.7263 12.0028 12.0541 12.1338 12.1984 k = 0.0312 0.0541 0.5330 ( 6916 PWs) bands (ev): -3.5070 -3.5056 -2.9255 -2.9231 -1.4605 -1.4595 -1.3126 -1.3124 -1.2997 -1.2997 -1.2571 -1.2569 3.5383 3.5873 3.7640 3.7842 3.8754 3.9985 4.0306 4.0517 4.1376 4.1590 4.3135 4.3197 4.6054 4.6214 4.7761 4.8124 4.8343 4.8606 4.9433 4.9447 5.1517 5.1719 5.3512 5.3546 5.4147 5.4427 5.7253 5.7304 5.8540 5.9760 6.2443 6.2917 6.4804 6.4994 6.5615 6.7112 6.8528 6.9006 6.9967 6.9990 7.1633 7.2439 7.6504 7.7140 7.9075 7.9084 7.9981 8.0472 8.3083 8.3970 10.9325 10.9554 11.2202 11.2882 11.6785 11.7546 12.0537 12.0839 12.1763 12.2355 k = 0.0208 0.0361 0.5330 ( 6916 PWs) bands (ev): -3.5136 -3.5127 -2.9301 -2.9286 -1.4473 -1.4466 -1.3053 -1.3049 -1.2949 -1.2948 -1.2599 -1.2596 3.5576 3.5961 3.8032 3.8137 3.8932 3.9862 4.0272 4.0416 4.1116 4.1346 4.3069 4.3089 4.6049 4.6171 4.8009 4.8223 4.8332 4.8598 4.9322 4.9347 5.1599 5.1691 5.3421 5.3426 5.4114 5.4342 5.7171 5.7196 5.8605 5.9467 6.2424 6.2803 6.4962 6.5040 6.5564 6.6677 6.8471 6.8816 7.0103 7.0122 7.1522 7.2069 7.6480 7.6898 7.9098 7.9098 7.9915 8.0235 8.3261 8.3848 10.9594 10.9749 11.2507 11.2965 11.7157 11.7692 12.0976 12.1095 12.2097 12.2569 k = 0.0104 0.0180 0.5330 ( 6924 PWs) bands (ev): -3.5175 -3.5170 -2.9328 -2.9320 -1.4386 -1.4383 -1.3010 -1.3008 -1.2934 -1.2934 -1.2604 -1.2603 3.5748 3.5963 3.8305 3.8324 3.9201 3.9684 4.0224 4.0293 4.1000 4.1143 4.3023 4.3025 4.6062 4.6127 4.8241 4.8289 4.8343 4.8567 4.9217 4.9245 5.1655 5.1682 5.3348 5.3348 5.4143 5.4272 5.7106 5.7110 5.8754 5.9196 6.2466 6.2675 6.5061 6.5072 6.5666 6.6271 6.8478 6.8657 7.0227 7.0231 7.1479 7.1762 7.6504 7.6711 7.9120 7.9121 7.9895 8.0054 8.3427 8.3719 10.9772 10.9850 11.2739 11.2970 11.7443 11.7717 12.1266 12.1284 12.2353 12.2623 k = 0.0000 0.0000 0.5330 ( 6924 PWs) bands (ev): -3.5186 -3.5186 -2.9334 -2.9334 -1.4355 -1.4355 -1.2993 -1.2993 -1.2935 -1.2935 -1.2603 -1.2603 3.5884 3.5884 3.8399 3.8399 3.9465 3.9465 4.0215 4.0215 4.1018 4.1018 4.3005 4.3005 4.6089 4.6089 4.8311 4.8311 4.8467 4.8467 4.9184 4.9184 5.1678 5.1678 5.3320 5.3320 5.4204 5.4204 5.7079 5.7079 5.8956 5.8956 6.2555 6.2555 6.5084 6.5084 6.5922 6.5922 6.8542 6.8542 7.0277 7.0277 7.1554 7.1554 7.6580 7.6580 7.9131 7.9131 7.9938 7.9938 8.3579 8.3579 10.9858 10.9858 11.2895 11.2895 11.7632 11.7632 12.1360 12.1360 12.2539 12.2539 k = 0.5000 0.2887 0.5330 ( 6896 PWs) bands (ev): -2.7569 -2.7569 -2.3590 -2.3590 -2.2863 -2.2863 -2.1032 -2.1032 -1.7118 -1.7118 -1.2146 -1.2146 2.7941 2.7941 3.6326 3.6326 3.8836 3.8836 4.1328 4.1328 4.3093 4.3093 4.3789 4.3789 4.6693 4.6693 4.8652 4.8652 5.0563 5.0563 5.2082 5.2082 5.3626 5.3626 5.3720 5.3720 5.7921 5.7921 5.9527 5.9527 6.1326 6.1326 6.3878 6.3878 6.5411 6.5411 6.8648 6.8648 6.9942 6.9942 7.7867 7.7867 7.9884 7.9884 8.4481 8.4481 8.7611 8.7611 9.0061 9.0061 9.6693 9.6693 9.8097 9.8097 10.0676 10.0676 10.6854 10.6854 10.7423 10.7423 11.0596 11.0596 k = 0.5000 0.2887 0.5125 ( 6910 PWs) bands (ev): -2.7604 -2.7603 -2.3795 -2.3788 -2.2666 -2.2657 -2.0989 -2.0986 -1.7109 -1.7109 -1.2153 -1.2150 2.7950 2.7957 3.6300 3.6355 3.8791 3.8875 4.1299 4.1347 4.3064 4.3130 4.3723 4.3873 4.6674 4.6715 4.8521 4.8770 5.0564 5.0578 5.2000 5.2078 5.3436 5.3599 5.3786 5.3938 5.7867 5.7977 5.9499 5.9553 6.1298 6.1356 6.3805 6.3951 6.5373 6.5442 6.8556 6.8733 6.9843 7.0025 7.7737 7.7932 7.9733 8.0048 8.4432 8.4435 8.7530 8.7629 8.9794 9.0320 9.6202 9.7050 9.7906 9.8310 10.0452 10.0890 10.6457 10.6863 10.7348 10.7857 11.0209 11.1203 k = 0.5000 0.2887 0.4920 ( 6908 PWs) bands (ev): -2.7704 -2.7702 -2.4167 -2.4158 -2.2298 -2.2286 -2.0861 -2.0855 -1.7083 -1.7081 -1.2169 -1.2165 2.7983 2.7997 3.6275 3.6388 3.8745 3.8908 4.1262 4.1359 4.3043 4.3176 4.3675 4.3972 4.6658 4.6740 4.8384 4.8871 5.0582 5.0607 5.1833 5.1991 5.3249 5.3593 5.3922 5.4190 5.7813 5.8036 5.9467 5.9578 6.1271 6.1385 6.3732 6.4022 6.5329 6.5466 6.8458 6.8813 6.9729 7.0092 7.7563 7.7905 7.9624 8.0198 8.4287 8.4293 8.7399 8.7569 8.9547 9.0543 9.5688 9.7183 9.7676 9.8602 10.0210 10.1105 10.5978 10.6637 10.7524 10.8254 11.0142 11.1983 k = 0.5000 0.2887 0.4715 ( 6920 PWs) bands (ev): -2.7862 -2.7859 -2.4569 -2.4560 -2.1901 -2.1887 -2.0656 -2.0647 -1.7039 -1.7036 -1.2196 -1.2189 2.8039 2.8060 3.6249 3.6425 3.8705 3.8932 4.1214 4.1363 4.3030 4.3231 4.3646 4.4085 4.6643 4.6767 4.8245 4.8952 5.0615 5.0648 5.1585 5.1835 5.3120 5.3639 5.4071 5.4429 5.7760 5.8100 5.9433 5.9603 6.1246 6.1415 6.3660 6.4092 6.5283 6.5481 6.8355 6.8886 6.9605 7.0142 7.7354 7.7768 7.9577 8.0320 8.4051 8.4056 8.7228 8.7420 8.9338 9.0693 9.5236 9.7121 9.7383 9.8914 9.9952 10.1331 10.5513 10.6510 10.7641 10.8420 11.0508 11.2889 k = 0.5000 0.2887 0.4510 ( 6912 PWs) bands (ev): -2.8065 -2.8061 -2.4974 -2.4966 -2.1504 -2.1489 -2.0385 -2.0373 -1.6974 -1.6969 -1.2231 -1.2223 2.8117 2.8145 3.6219 3.6463 3.8675 3.8951 4.1156 4.1359 4.3025 4.3294 4.3636 4.4208 4.6628 4.6797 4.8107 4.9011 5.0658 5.0696 5.1273 5.1633 5.3053 5.3723 5.4223 5.4645 5.7706 5.8169 5.9397 5.9629 6.1222 6.1445 6.3589 6.4159 6.5235 6.5487 6.8246 6.8949 6.9474 7.0178 7.7118 7.7529 7.9583 8.0403 8.3726 8.3734 8.7023 8.7182 8.9168 9.0736 9.4914 9.6943 9.7030 9.9142 9.9697 10.1580 10.5126 10.6484 10.7703 10.8420 11.1184 11.3847 k = 0.5000 0.2887 0.4305 ( 6918 PWs) bands (ev): -2.8303 -2.8299 -2.5376 -2.5368 -2.1120 -2.1103 -2.0060 -2.0047 -1.6887 -1.6881 -1.2275 -1.2265 2.8215 2.8251 3.6182 3.6502 3.8662 3.8967 4.1088 4.1349 4.3027 4.3365 4.3644 4.4339 4.6612 4.6828 4.7973 4.9047 5.0691 5.0743 5.0933 5.1406 5.3041 5.3832 5.4370 5.4831 5.7654 5.8244 5.9360 5.9659 6.1200 6.1474 6.3521 6.4223 6.5188 6.5483 6.8132 6.8997 6.9345 7.0201 7.6856 7.7212 7.9613 8.0443 8.3309 8.3353 8.6782 8.6875 8.9018 9.0649 9.4756 9.6634 9.6698 9.9232 9.9472 10.1861 10.4851 10.6523 10.7738 10.8403 11.1954 11.4346 k = 0.5000 0.2887 0.4100 ( 6914 PWs) bands (ev): -2.8565 -2.8560 -2.5769 -2.5761 -2.0756 -2.0737 -1.9695 -1.9680 -1.6776 -1.6767 -1.2325 -1.2314 2.8332 2.8375 3.6134 3.6536 3.8673 3.8987 4.1009 4.1330 4.3038 4.3442 4.3670 4.4474 4.6593 4.6857 4.7847 4.9063 5.0482 5.0763 5.0809 5.1193 5.3073 5.3952 5.4510 5.4984 5.7603 5.8323 5.9327 5.9693 6.1180 6.1502 6.3458 6.4281 6.5146 6.5469 6.8012 6.9006 6.9244 7.0212 7.6568 7.6837 7.9637 8.0442 8.2816 8.2926 8.6500 8.6528 8.8858 9.0444 9.4753 9.6225 9.6409 9.9191 9.9302 10.2171 10.4693 10.6586 10.7762 10.8438 11.2666 11.4140 k = 0.5000 0.2887 0.3895 ( 6910 PWs) bands (ev): -2.8841 -2.8836 -2.6151 -2.6143 -2.0418 -2.0396 -1.9297 -1.9281 -1.6639 -1.6627 -1.2381 -1.2369 2.8464 2.8516 3.6076 3.6562 3.8711 3.9019 4.0919 4.1303 4.3056 4.3517 4.3718 4.4610 4.6569 4.6883 4.7730 4.9062 5.0090 5.0673 5.0854 5.1086 5.3137 5.4074 5.4641 5.5105 5.7555 5.8401 5.9303 5.9734 6.1162 6.1528 6.3400 6.4334 6.5111 6.5445 6.7887 6.8939 6.9213 7.0213 7.6255 7.6420 7.9630 8.0400 8.2260 8.2474 8.6171 8.6176 8.8661 9.0150 9.4833 9.5866 9.6087 9.9069 9.9206 10.2489 10.4633 10.6637 10.7785 10.8541 11.3194 11.3854 k = 0.5000 0.2887 0.3690 ( 6912 PWs) bands (ev): -2.9125 -2.9120 -2.6520 -2.6513 -2.0110 -2.0085 -1.8877 -1.8860 -1.6476 -1.6461 -1.2440 -1.2427 2.8610 2.8669 3.6005 3.6574 3.8780 3.9069 4.0818 4.1267 4.3080 4.3585 4.3791 4.4746 4.6537 4.6900 4.7627 4.9045 4.9686 5.0456 5.0907 5.1110 5.3221 5.4188 5.4764 5.5195 5.7511 5.8472 5.9294 5.9782 6.1148 6.1552 6.3350 6.4377 6.5088 6.5412 6.7758 6.8821 6.9228 7.0206 7.5916 7.5969 7.9571 8.0322 8.1661 8.2015 8.5810 8.5832 8.8409 8.9798 9.4837 9.5695 9.5744 9.8919 9.9196 10.2798 10.4640 10.6648 10.7805 10.8712 11.3455 11.3531 k = 0.5000 0.2887 0.3485 ( 6914 PWs) bands (ev): -2.9411 -2.9406 -2.6875 -2.6868 -1.9836 -1.9808 -1.8442 -1.8425 -1.6288 -1.6268 -1.2500 -1.2487 2.8766 2.8833 3.5923 3.6569 3.8880 3.9145 4.0709 4.1221 4.3111 4.3642 4.3888 4.4878 4.6492 4.6901 4.7542 4.9005 4.9302 5.0203 5.0960 5.1181 5.3313 5.4285 5.4881 5.5262 5.7473 5.8525 5.9304 5.9839 6.1141 6.1574 6.3309 6.4411 6.5078 6.5371 6.7626 6.8692 6.9249 7.0191 7.5491 7.5552 7.9443 8.0207 8.1038 8.1567 8.5411 8.5529 8.8091 8.9406 9.4642 9.5393 9.5816 9.8776 9.9278 10.3085 10.4677 10.6597 10.7820 10.8939 11.3179 11.3451 k = 0.5000 0.2887 0.3280 ( 6914 PWs) bands (ev): -2.9694 -2.9689 -2.7214 -2.7208 -1.9596 -1.9566 -1.7999 -1.7980 -1.6077 -1.6054 -1.2556 -1.2544 2.8929 2.9003 3.5834 3.6545 3.9008 3.9252 4.0592 4.1165 4.3148 4.3692 4.4003 4.5005 4.6430 4.6878 4.7479 4.8837 4.9058 4.9953 5.1013 5.1268 5.3400 5.4354 5.4991 5.5311 5.7442 5.8558 5.9335 5.9906 6.1144 6.1595 6.3279 6.4433 6.5086 6.5322 6.7494 6.8568 6.9267 7.0169 7.4992 7.5167 7.9240 8.0038 8.0429 8.1140 8.4990 8.5277 8.7711 8.8986 9.4370 9.5047 9.6087 9.8649 9.9453 10.3343 10.4712 10.6463 10.7830 10.9216 11.2826 11.3272 k = 0.5000 0.2887 0.3075 ( 6902 PWs) bands (ev): -2.9970 -2.9965 -2.7537 -2.7531 -1.9389 -1.9357 -1.7552 -1.7533 -1.5852 -1.5824 -1.2607 -1.2596 2.9097 2.9177 3.5740 3.6501 3.9161 3.9390 4.0470 4.1096 4.3189 4.3737 4.4130 4.5124 4.6347 4.6826 4.7438 4.8514 4.8996 4.9721 5.1066 5.1363 5.3475 5.4389 5.5096 5.5351 5.7418 5.8569 5.9377 5.9983 6.1161 6.1615 6.3262 6.4444 6.5109 6.5267 6.7364 6.8451 6.9275 7.0141 7.4480 7.4765 7.8964 7.9644 8.0025 8.0740 8.4554 8.5076 8.7278 8.8554 9.4105 9.4721 9.6395 9.8530 9.9714 10.3560 10.4719 10.6233 10.7840 10.9537 11.2513 11.3042 k = 0.5000 0.2887 0.2870 ( 6904 PWs) bands (ev): -3.0237 -3.0232 -2.7843 -2.7837 -1.9213 -1.9180 -1.7107 -1.7088 -1.5620 -1.5587 -1.2647 -1.2637 2.9265 2.9351 3.5645 3.6439 3.9332 3.9557 4.0350 4.1015 4.3233 4.3776 4.4265 4.5235 4.6239 4.6744 4.7413 4.8206 4.8959 4.9519 5.1120 5.1461 5.3530 5.4384 5.5192 5.5388 5.7402 5.8565 5.9417 6.0069 6.1200 6.1634 6.3262 6.4443 6.5148 6.5208 6.7239 6.8344 6.9273 7.0106 7.3964 7.4351 7.8628 7.9046 7.9819 8.0365 8.4113 8.4917 8.6816 8.8126 9.3865 9.4422 9.6689 9.8398 10.0050 10.3699 10.4719 10.5914 10.7859 10.9902 11.2282 11.2863 k = 0.5000 0.2887 0.2665 ( 6914 PWs) bands (ev): -3.0492 -3.0488 -2.8131 -2.8125 -1.9063 -1.9029 -1.6669 -1.6651 -1.5393 -1.5356 -1.2670 -1.2662 2.9432 2.9523 3.5552 3.6363 3.9501 3.9745 4.0247 4.0925 4.3280 4.3809 4.4405 4.5336 4.6105 4.6639 4.7394 4.7939 4.8932 4.9357 5.1175 5.1562 5.3564 5.4342 5.5277 5.5421 5.7394 5.8551 5.9441 6.0162 6.1261 6.1652 6.3279 6.4433 6.5147 6.5199 6.7123 6.8247 6.9257 7.0064 7.3455 7.3935 7.8250 7.8439 7.9625 8.0010 8.3675 8.4778 8.6356 8.7719 9.3651 9.4154 9.6929 9.8229 10.0446 10.3694 10.4784 10.5545 10.7893 11.0312 11.2148 11.2791 k = 0.5000 0.2887 0.2460 ( 6908 PWs) bands (ev): -3.0733 -3.0729 -2.8400 -2.8394 -1.8936 -1.8901 -1.6243 -1.6225 -1.5183 -1.5142 -1.2669 -1.2665 2.9595 2.9688 3.5464 3.6276 3.9624 3.9941 4.0206 4.0833 4.3327 4.3833 4.4548 4.5426 4.5953 4.6515 4.7370 4.7717 4.8914 4.9243 5.1231 5.1663 5.3579 5.4267 5.5347 5.5449 5.7393 5.8533 5.9443 6.0256 6.1347 6.1668 6.3317 6.4410 6.5086 6.5261 6.7021 6.8161 6.9228 7.0014 7.2965 7.3526 7.7847 7.7856 7.9420 7.9671 8.3249 8.4619 8.5945 8.7348 9.3459 9.3918 9.7075 9.7996 10.0884 10.3535 10.4960 10.5188 10.7948 11.0766 11.2112 11.2835 k = 0.5000 0.2887 0.2255 ( 6900 PWs) bands (ev): -3.0959 -3.0956 -2.8649 -2.8644 -1.8827 -1.8792 -1.5831 -1.5814 -1.5001 -1.4957 -1.2640 -1.2638 2.9751 2.9845 3.5385 3.6183 3.9632 4.0112 4.0289 4.0766 4.3373 4.3847 4.4691 4.5507 4.5797 4.6379 4.7338 4.7534 4.8910 4.9177 5.1286 5.1762 5.3577 5.4169 5.5398 5.5468 5.7399 5.8513 5.9422 6.0348 6.1451 6.1681 6.3373 6.4374 6.5030 6.5330 6.6941 6.8084 6.9184 6.9954 7.2509 7.3134 7.7307 7.7436 7.9196 7.9343 8.2850 8.4393 8.5639 8.7018 9.3285 9.3711 9.7092 9.7679 10.1342 10.3302 10.4916 10.5217 10.8029 11.1254 11.2157 11.2974 k = 0.5000 0.2887 0.2050 ( 6880 PWs) bands (ev): -3.1168 -3.1166 -2.8878 -2.8873 -1.8733 -1.8699 -1.5439 -1.5423 -1.4855 -1.4809 -1.2579 -1.2578 2.9898 2.9991 3.5316 3.6086 3.9547 4.0185 4.0475 4.0788 4.3416 4.3848 4.4831 4.5577 4.5652 4.6234 4.7294 4.7380 4.8923 4.9158 5.1339 5.1857 5.3564 5.4054 5.5428 5.5473 5.7413 5.8490 5.9385 6.0431 6.1567 6.1690 6.3444 6.4319 6.4983 6.5402 6.6887 6.8017 6.9125 6.9882 7.2098 7.2769 7.6800 7.7029 7.8948 7.9024 8.2492 8.4082 8.5461 8.6732 9.3123 9.3529 9.6959 9.7272 10.1795 10.3074 10.4784 10.5516 10.8143 11.1753 11.2267 11.3183 k = 0.5000 0.2887 0.1845 ( 6892 PWs) bands (ev): -3.1361 -3.1358 -2.9086 -2.9082 -1.8652 -1.8619 -1.5071 -1.5057 -1.4750 -1.4703 -1.2488 -1.2486 3.0035 3.0125 3.5260 3.5990 3.9427 4.0122 4.0702 4.0933 4.3456 4.3835 4.4961 4.5537 4.5637 4.6088 4.7242 4.7248 4.8956 4.9178 5.1387 5.1943 5.3543 5.3933 5.5437 5.5464 5.7432 5.8461 5.9342 6.0502 6.1686 6.1693 6.3520 6.4245 6.4950 6.5469 6.6868 6.7960 6.9053 6.9799 7.1744 7.2439 7.6341 7.6637 7.8675 7.8713 8.2189 8.3724 8.5378 8.6488 9.2969 9.3364 9.6686 9.6791 10.2211 10.2893 10.4825 10.5839 10.8295 11.2234 11.2428 11.3436 k = 0.5000 0.2887 0.1640 ( 6888 PWs) bands (ev): -3.1535 -3.1532 -2.9274 -2.9270 -1.8582 -1.8551 -1.4731 -1.4724 -1.4680 -1.4628 -1.2371 -1.2369 3.0160 3.0244 3.5217 3.5896 3.9299 3.9984 4.0940 4.1136 4.3490 4.3810 4.5066 4.5474 4.5688 4.5948 4.7128 4.7184 4.9011 4.9230 5.1428 5.2015 5.3521 5.3813 5.5427 5.5438 5.7457 5.8423 5.9304 6.0554 6.1692 6.1800 6.3586 6.4151 6.4939 6.5525 6.6887 6.7914 6.8973 6.9704 7.1452 7.2150 7.5933 7.6267 7.8382 7.8411 8.1948 8.3364 8.5348 8.6281 9.2817 9.3207 9.6265 9.6310 10.2561 10.2772 10.5035 10.6171 10.8488 11.2628 11.2647 11.3726 k = 0.5000 0.2887 0.1435 ( 6878 PWs) bands (ev): -3.1689 -3.1687 -2.9440 -2.9437 -1.8521 -1.8492 -1.4644 -1.4608 -1.4418 -1.4400 -1.2238 -1.2235 3.0271 3.0348 3.5188 3.5806 3.9175 3.9816 4.1175 4.1347 4.3518 4.3776 4.5124 4.5488 4.5719 4.5831 4.7019 4.7122 4.9088 4.9304 5.1460 5.2066 5.3502 5.3704 5.5398 5.5399 5.7487 5.8373 5.9284 6.0582 6.1691 6.1904 6.3629 6.4041 6.4953 6.5562 6.6945 6.7880 6.8893 6.9599 7.1224 7.1903 7.5579 7.5926 7.8081 7.8121 8.1767 8.3027 8.5343 8.6107 9.2661 9.3047 9.5736 9.5883 10.2706 10.2827 10.5386 10.6503 10.8726 11.2861 11.2940 11.4049 k = 0.5000 0.2887 0.1230 ( 6876 PWs) bands (ev): -3.1824 -3.1823 -2.9585 -2.9582 -1.8468 -1.8443 -1.4628 -1.4594 -1.4141 -1.4127 -1.2100 -1.2098 3.0369 3.0437 3.5172 3.5720 3.9062 3.9639 4.1395 4.1545 4.3538 4.3737 4.5139 4.5569 4.5665 4.5809 4.6918 4.7057 4.9185 4.9393 5.1481 5.2088 5.3489 5.3616 5.5346 5.5357 5.7522 5.8309 5.9291 6.0580 6.1697 6.1993 6.3641 6.3919 6.4990 6.5576 6.7038 6.7862 6.8821 6.9488 7.1056 7.1697 7.5281 7.5617 7.7787 7.7849 8.1641 8.2724 8.5352 8.5961 9.2495 9.2870 9.5250 9.5457 10.2686 10.3009 10.5830 10.6824 10.9006 11.3080 11.3120 11.4389 k = 0.5000 0.2887 0.1025 ( 6874 PWs) bands (ev): -3.1940 -3.1938 -2.9708 -2.9706 -1.8424 -1.8402 -1.4627 -1.4597 -1.3901 -1.3889 -1.1967 -1.1966 3.0452 3.0510 3.5171 3.5640 3.8966 3.9464 4.1595 4.1721 4.3550 4.3696 4.5144 4.5570 4.5678 4.5842 4.6825 4.6989 4.9299 4.9489 5.1493 5.2072 5.3485 5.3555 5.5286 5.5305 5.7561 5.8234 5.9329 6.0541 6.1717 6.2064 6.3623 6.3794 6.5043 6.5567 6.7153 6.7857 6.8768 6.9375 7.0941 7.1524 7.5038 7.5345 7.7518 7.7600 8.1562 8.2460 8.5368 8.5840 9.2319 9.2666 9.4845 9.5073 10.2702 10.3119 10.6311 10.7122 10.9324 11.3067 11.3402 11.4701 k = 0.5000 0.2887 0.0820 ( 6876 PWs) bands (ev): -3.2034 -3.2033 -2.9809 -2.9807 -1.8387 -1.8369 -1.4633 -1.4608 -1.3701 -1.3691 -1.1849 -1.1848 3.0521 3.0568 3.5182 3.5566 3.8890 3.9299 4.1767 4.1868 4.3555 4.3658 4.5155 4.5486 4.5790 4.5880 4.6744 4.6919 4.9423 4.9585 5.1499 5.2017 5.3489 5.3523 5.5225 5.5249 5.7605 5.8151 5.9397 6.0464 6.1756 6.2112 6.3585 6.3676 6.5101 6.5540 6.7281 6.7860 6.8739 6.9265 7.0873 7.1378 7.4850 7.5113 7.7289 7.7382 8.1522 8.2233 8.5388 8.5740 9.2139 9.2435 9.4543 9.4756 10.2744 10.3171 10.6781 10.7388 10.9678 11.2919 11.3702 11.4943 k = 0.5000 0.2887 0.0615 ( 6882 PWs) bands (ev): -3.2108 -3.2108 -2.9888 -2.9886 -1.8358 -1.8343 -1.4642 -1.4623 -1.3542 -1.3534 -1.1751 -1.1750 3.0576 3.0612 3.5203 3.5497 3.8839 3.9152 4.1908 4.1982 4.3556 4.3624 4.5174 4.5416 4.5890 4.5920 4.6680 4.6848 4.9547 4.9671 5.1505 5.1931 5.3499 5.3515 5.5168 5.5194 5.7654 5.8067 5.9493 6.0353 6.1813 6.2134 6.3538 6.3575 6.5160 6.5499 6.7410 6.7857 6.8739 6.9161 7.0845 7.1251 7.4715 7.4921 7.7109 7.7200 8.1514 8.2041 8.5410 8.5659 9.1970 9.2199 9.4342 9.4514 10.2804 10.3177 10.7196 10.7607 11.0069 11.2656 11.4013 11.5085 k = 0.5000 0.2887 0.0410 ( 6878 PWs) bands (ev): -3.2161 -3.2161 -2.9944 -2.9943 -1.8336 -1.8326 -1.4649 -1.4636 -1.3426 -1.3421 -1.1678 -1.1677 3.0616 3.0640 3.5235 3.5433 3.8816 3.9027 4.2013 4.2061 4.3556 4.3597 4.5200 4.5359 4.5959 4.5965 4.6640 4.6778 4.9657 4.9740 5.1522 5.1825 5.3512 5.3520 5.5123 5.5146 5.7709 5.7985 5.9613 6.0216 6.1884 6.2127 6.3492 6.3500 6.5218 6.5448 6.7532 6.7838 6.8769 6.9064 7.0853 7.1139 7.4631 7.4772 7.6987 7.7059 8.1534 8.1882 8.5435 8.5593 9.1837 9.1990 9.4225 9.4343 10.2875 10.3149 10.7523 10.7767 11.0497 11.2301 11.4322 11.5114 k = 0.5000 0.2887 0.0205 ( 6870 PWs) bands (ev): -3.2193 -3.2193 -2.9977 -2.9977 -1.8321 -1.8316 -1.4654 -1.4647 -1.3356 -1.3353 -1.1632 -1.1632 3.0643 3.0655 3.5275 3.5375 3.8823 3.8929 4.2082 4.2105 4.3557 4.3577 4.5233 4.5311 4.5993 4.6007 4.6633 4.6713 4.9738 4.9779 5.1561 5.1718 5.3524 5.3527 5.5097 5.5110 5.7769 5.7907 5.9752 6.0063 6.1960 6.2092 6.3456 6.3458 6.5275 6.5392 6.7640 6.7796 6.8823 6.8975 7.0891 7.1039 7.4596 7.4668 7.6923 7.6962 8.1581 8.1754 8.5464 8.5541 9.1761 9.1837 9.4175 9.4234 10.2952 10.3096 10.7742 10.7852 11.0953 11.1881 11.4611 11.5032 k = 0.5000 0.2887-0.0000 ( 6882 PWs) bands (ev): -3.2203 -3.2203 -2.9988 -2.9988 -1.8315 -1.8315 -1.4653 -1.4653 -1.3332 -1.3332 -1.1617 -1.1617 3.0656 3.0656 3.5322 3.5322 3.8860 3.8860 4.2112 4.2112 4.3564 4.3564 4.5269 4.5269 4.6013 4.6013 4.6660 4.6660 4.9780 4.9780 5.1627 5.1627 5.3529 5.3529 5.5093 5.5093 5.7835 5.7835 5.9905 5.9905 6.2033 6.2033 6.3444 6.3444 6.5333 6.5333 6.7729 6.7729 6.8894 6.8894 7.0955 7.0955 7.4609 7.4609 7.6916 7.6916 8.1654 8.1654 8.5499 8.5499 9.1759 9.1759 9.4179 9.4179 10.3028 10.3028 10.7849 10.7849 11.1423 11.1423 11.4856 11.4856 k = 0.3333 0.5774-0.0000 ( 6888 PWs) bands (ev): -2.9023 -2.9023 -2.8998 -2.8961 -2.5951 -2.5951 -1.2705 -1.2676 -1.2676 -1.2604 -1.1791 -1.1791 3.4755 3.4755 3.7350 3.8382 3.8382 3.9787 4.1728 4.1728 4.2154 4.2296 4.2296 4.3398 4.5387 4.5387 4.5793 4.8130 4.8130 4.9132 5.0330 5.0330 5.1919 5.4318 5.4318 5.4367 5.8998 5.8998 5.9941 6.1211 6.1329 6.1329 6.3051 6.3051 6.4818 6.5010 6.5010 6.8158 6.9307 6.9307 7.1585 7.2100 7.2100 7.4907 8.0123 8.0123 8.1107 8.2812 8.4436 8.4436 9.5622 9.6672 9.6672 9.8266 9.9090 9.9090 10.6773 10.6773 11.2475 11.3209 11.3209 11.4506 k = 0.3333 0.5774 0.0205 ( 6888 PWs) bands (ev): -2.9030 -2.9030 -2.9006 -2.8969 -2.6006 -2.6006 -1.2667 -1.2638 -1.2638 -1.2567 -1.1639 -1.1639 3.4369 3.4369 3.7117 3.8104 3.8104 3.9531 4.1618 4.1618 4.1988 4.1988 4.2078 4.3237 4.5665 4.5665 4.5904 4.8114 4.8114 4.9231 5.0241 5.0242 5.2070 5.4323 5.4409 5.4409 5.9041 5.9041 6.0050 6.1116 6.1608 6.1608 6.2926 6.2926 6.4639 6.5027 6.5027 6.8104 6.9688 6.9688 7.1910 7.2350 7.2350 7.5283 8.0851 8.0851 8.1672 8.3223 8.4896 8.4896 9.5356 9.6645 9.6645 9.8345 9.9267 9.9267 10.5772 10.5772 11.2260 11.2823 11.2823 11.3963 k = 0.3333 0.5774 0.0410 ( 6867 PWs) bands (ev): -2.9018 -2.9018 -2.8993 -2.8957 -2.6043 -2.6043 -1.2665 -1.2637 -1.2637 -1.2568 -1.1510 -1.1510 3.3974 3.3974 3.6886 3.7818 3.7818 3.9250 4.1452 4.1452 4.1752 4.1752 4.2043 4.3087 4.5949 4.5949 4.6028 4.8093 4.8093 4.9319 5.0161 5.0161 5.2262 5.4290 5.4521 5.4521 5.9087 5.9087 6.0152 6.1020 6.1880 6.1880 6.2807 6.2807 6.4481 6.5047 6.5047 6.8036 7.0101 7.0101 7.2264 7.2633 7.2633 7.5676 8.1596 8.1596 8.2213 8.3581 8.5330 8.5330 9.5143 9.6666 9.6666 9.8477 9.9495 9.9495 10.4798 10.4798 11.2086 11.2492 11.2492 11.3447 k = 0.3333 0.5774 0.0615 ( 6858 PWs) bands (ev): -2.8985 -2.8985 -2.8961 -2.8925 -2.6062 -2.6062 -1.2700 -1.2673 -1.2673 -1.2606 -1.1406 -1.1406 3.3577 3.3577 3.6665 3.7535 3.7535 3.8964 4.1176 4.1176 4.1637 4.1637 4.2030 4.2948 4.6166 4.6235 4.6235 4.8071 4.8071 4.9396 5.0092 5.0092 5.2492 5.4269 5.4647 5.4647 5.9134 5.9134 6.0244 6.0926 6.2128 6.2128 6.2701 6.2701 6.4348 6.5072 6.5072 6.7954 7.0543 7.0543 7.2643 7.2948 7.2948 7.6084 8.2333 8.2333 8.2716 8.3879 8.5753 8.5753 9.4996 9.6734 9.6734 9.8672 9.9771 9.9771 10.3865 10.3865 11.1955 11.2219 11.2219 11.2957 k = 0.3333 0.5774 0.0820 ( 6858 PWs) bands (ev): -2.8933 -2.8933 -2.8909 -2.8873 -2.6064 -2.6064 -1.2773 -1.2747 -1.2747 -1.2682 -1.1328 -1.1328 3.3186 3.3186 3.6459 3.7265 3.7265 3.8688 4.0855 4.0855 4.1577 4.1577 4.2026 4.2819 4.6318 4.6517 4.6517 4.8050 4.8050 4.9459 5.0037 5.0037 5.2755 5.4257 5.4782 5.4782 5.9180 5.9180 6.0320 6.0832 6.2308 6.2308 6.2650 6.2650 6.4242 6.5102 6.5102 6.7860 7.1007 7.1007 7.3043 7.3295 7.3295 7.6505 8.3028 8.3028 8.3169 8.4111 8.6191 8.6191 9.4929 9.6847 9.6847 9.8936 10.0087 10.0087 10.2990 10.2990 11.1866 11.2003 11.2003 11.2495 k = 0.3333 0.5774 0.1025 ( 6867 PWs) bands (ev): -2.8861 -2.8861 -2.8838 -2.8801 -2.6047 -2.6047 -1.2882 -1.2858 -1.2858 -1.2794 -1.1277 -1.1277 3.2807 3.2807 3.6272 3.7013 3.7013 3.8432 4.0524 4.0524 4.1535 4.1535 4.2022 4.2700 4.6484 4.6793 4.6793 4.8032 4.8032 4.9512 5.0000 5.0000 5.3045 5.4254 5.4919 5.4919 5.9223 5.9223 6.0376 6.0740 6.2322 6.2322 6.2746 6.2746 6.4167 6.5136 6.5136 6.7755 7.1482 7.1482 7.3458 7.3673 7.3673 7.6935 8.3564 8.3640 8.3640 8.4280 8.6684 8.6684 9.4954 9.6996 9.6996 9.9271 10.0420 10.0420 10.2212 10.2212 11.1814 11.1845 11.1845 11.2059 k = 0.3333 0.5774 0.1230 ( 6867 PWs) bands (ev): -2.8770 -2.8770 -2.8747 -2.8710 -2.6014 -2.6014 -1.3027 -1.3004 -1.3004 -1.2941 -1.1254 -1.1254 3.2449 3.2449 3.6110 3.6786 3.6786 3.8203 4.0195 4.0195 4.1500 4.1500 4.2014 4.2589 4.6664 4.7057 4.7057 4.8020 4.8020 4.9555 4.9984 4.9984 5.3356 5.4258 5.5055 5.5055 5.9263 5.9263 6.0408 6.0651 6.2239 6.2239 6.2920 6.2920 6.4125 6.5175 6.5175 6.7637 7.1956 7.1956 7.3882 7.4079 7.4079 7.7368 8.3899 8.4138 8.4138 8.4396 8.7270 8.7270 9.5076 9.7166 9.7166 9.9675 10.0642 10.0642 10.1673 10.1673 11.1648 11.1741 11.1741 11.1792 k = 0.3333 0.5774 0.1435 ( 6855 PWs) bands (ev): -2.8660 -2.8660 -2.8636 -2.8600 -2.5962 -2.5962 -1.3206 -1.3184 -1.3184 -1.3123 -1.1260 -1.1260 3.2116 3.2116 3.5973 3.6586 3.6586 3.8004 3.9869 3.9869 4.1469 4.1469 4.2001 4.2486 4.6855 4.7302 4.7302 4.8016 4.8016 4.9592 4.9991 4.9991 5.3679 5.4268 5.5185 5.5185 5.9297 5.9297 6.0411 6.0566 6.2137 6.2137 6.3092 6.3092 6.4118 6.5219 6.5219 6.7508 7.2414 7.2414 7.4305 7.4508 7.4508 7.7791 8.4180 8.4479 8.4522 8.4522 8.7955 8.7955 9.5295 9.7326 9.7326 10.0141 10.0432 10.0432 10.1723 10.1723 11.1262 11.1687 11.1687 11.1784 k = 0.3333 0.5774 0.1640 ( 6852 PWs) bands (ev): -2.8531 -2.8531 -2.8508 -2.8471 -2.5894 -2.5894 -1.3418 -1.3398 -1.3398 -1.3337 -1.1296 -1.1296 3.1814 3.1814 3.5866 3.6417 3.6417 3.7838 3.9551 3.9551 4.1438 4.1438 4.1981 4.2390 4.7058 4.7516 4.7516 4.8028 4.8028 4.9625 5.0027 5.0027 5.4008 5.4282 5.5307 5.5307 5.9325 5.9325 6.0385 6.0487 6.2034 6.2034 6.3246 6.3246 6.4145 6.5267 6.5267 6.7368 7.2838 7.2838 7.4718 7.4951 7.4951 7.8189 8.4421 8.4552 8.4823 8.4823 8.8718 8.8718 9.5605 9.7430 9.7430 10.0061 10.0061 10.0658 10.2135 10.2135 11.0898 11.1679 11.1679 11.1771 k = 0.3333 0.5774 0.1845 ( 6852 PWs) bands (ev): -2.8383 -2.8383 -2.8361 -2.8324 -2.5810 -2.5810 -1.3662 -1.3642 -1.3642 -1.3583 -1.1362 -1.1362 3.1547 3.1547 3.5789 3.6279 3.6279 3.7706 3.9242 3.9242 4.1409 4.1409 4.1954 4.2301 4.7268 4.7676 4.7676 4.8075 4.8075 4.9655 5.0093 5.0093 5.4297 5.4333 5.5419 5.5419 5.9345 5.9345 6.0331 6.0416 6.1935 6.1935 6.3379 6.3379 6.4205 6.5320 6.5320 6.7217 7.3215 7.3215 7.5109 7.5396 7.5396 7.8542 8.4640 8.4649 8.5088 8.5088 8.9523 8.9523 9.5991 9.7421 9.7421 9.9852 9.9852 10.1213 10.2638 10.2638 11.0557 11.1708 11.1708 11.1720 k = 0.3333 0.5774 0.2050 ( 6861 PWs) bands (ev): -2.8219 -2.8219 -2.8196 -2.8159 -2.5709 -2.5709 -1.3934 -1.3915 -1.3915 -1.3857 -1.1458 -1.1458 3.1320 3.1320 3.5744 3.6173 3.6173 3.7607 3.8944 3.8944 4.1379 4.1379 4.1923 4.2218 4.7486 4.7764 4.7764 4.8170 4.8170 4.9685 5.0193 5.0193 5.4314 5.4648 5.5519 5.5519 5.9355 5.9355 6.0251 6.0357 6.1845 6.1845 6.3489 6.3489 6.4293 6.5377 6.5377 6.7057 7.3533 7.3533 7.5463 7.5824 7.5824 7.8824 8.4807 8.4862 8.5359 8.5359 9.0332 9.0332 9.6437 9.7292 9.7292 9.9872 9.9872 10.1791 10.3170 10.3170 11.0242 11.1590 11.1765 11.1765 k = 0.3333 0.5774 0.2255 ( 6867 PWs) bands (ev): -2.8037 -2.8037 -2.8015 -2.7977 -2.5593 -2.5593 -1.4232 -1.4215 -1.4215 -1.4157 -1.1583 -1.1583 3.1134 3.1134 3.5729 3.6099 3.6099 3.7542 3.8659 3.8659 4.1351 4.1351 4.1889 4.2142 4.7709 4.7798 4.7798 4.8294 4.8294 4.9715 5.0324 5.0324 5.4328 5.4943 5.5606 5.5606 5.9355 5.9355 6.0150 6.0314 6.1765 6.1765 6.3579 6.3579 6.4406 6.5438 6.5438 6.6888 7.3782 7.3782 7.5769 7.6216 7.6216 7.9012 8.5057 8.5109 8.5669 8.5669 9.1108 9.1108 9.6922 9.7113 9.7113 10.0079 10.0079 10.2376 10.3705 10.3705 10.9955 11.1332 11.1831 11.1831 k = 0.3333 0.5774 0.2460 ( 6870 PWs) bands (ev): -2.7839 -2.7839 -2.7817 -2.7779 -2.5462 -2.5462 -1.4555 -1.4538 -1.4538 -1.4480 -1.1738 -1.1738 3.0992 3.0992 3.5745 3.6056 3.6056 3.7508 3.8388 3.8388 4.1323 4.1323 4.1853 4.2072 4.7807 4.7807 4.7936 4.8416 4.8416 4.9748 5.0485 5.0485 5.4338 5.5209 5.5679 5.5679 5.9342 5.9342 6.0033 6.0291 6.1700 6.1700 6.3650 6.3650 6.4537 6.5504 6.5504 6.6713 7.3958 7.3958 7.6014 7.6549 7.6549 7.9094 8.5400 8.5423 8.6041 8.6041 9.1814 9.1814 9.6974 9.6974 9.7426 10.0404 10.0404 10.2948 10.4223 10.4223 10.9703 11.0913 11.1872 11.1872 k = 0.3333 0.5774 0.2665 ( 6876 PWs) bands (ev): -2.7625 -2.7625 -2.7604 -2.7565 -2.5317 -2.5317 -1.4898 -1.4882 -1.4882 -1.4824 -1.1920 -1.1920 3.0896 3.0896 3.5791 3.6043 3.6043 3.7504 3.8133 3.8133 4.1299 4.1299 4.1818 4.2009 4.7806 4.7806 4.8165 4.8526 4.8526 4.9784 5.0670 5.0670 5.4343 5.5438 5.5737 5.5737 5.9317 5.9317 5.9906 6.0294 6.1651 6.1651 6.3704 6.3704 6.4682 6.5572 6.5572 6.6532 7.4060 7.4060 7.6190 7.6806 7.6806 7.9070 8.5748 8.5908 8.6485 8.6485 9.2411 9.2411 9.6939 9.6939 9.7929 10.0806 10.0806 10.3485 10.4703 10.4703 10.9491 11.0338 11.1812 11.1812 k = 0.3333 0.5774 0.2870 ( 6864 PWs) bands (ev): -2.7398 -2.7398 -2.7377 -2.7337 -2.5158 -2.5158 -1.5258 -1.5243 -1.5243 -1.5184 -1.2128 -1.2128 3.0846 3.0846 3.5864 3.6057 3.6057 3.7526 3.7896 3.7896 4.1277 4.1277 4.1785 4.1954 4.7800 4.7800 4.8394 4.8621 4.8621 4.9824 5.0870 5.0870 5.4338 5.5620 5.5779 5.5779 5.9281 5.9281 5.9774 6.0327 6.1620 6.1620 6.3742 6.3742 6.4835 6.5643 6.5643 6.6348 7.4091 7.4091 7.6296 7.6974 7.6974 7.8955 8.6155 8.6503 8.6999 8.6999 9.2868 9.2868 9.7034 9.7034 9.8412 10.1262 10.1262 10.3947 10.5129 10.5129 10.9330 10.9655 11.1559 11.1559 k = 0.3333 0.5774 0.3075 ( 6888 PWs) bands (ev): -2.7158 -2.7158 -2.7138 -2.7096 -2.4988 -2.4988 -1.5634 -1.5618 -1.5618 -1.5559 -1.2360 -1.2360 3.0842 3.0842 3.5964 3.6096 3.6096 3.7573 3.7679 3.7679 4.1260 4.1260 4.1757 4.1906 4.7791 4.7791 4.8623 4.8705 4.8705 4.9869 5.1079 5.1079 5.4321 5.5750 5.5805 5.5805 5.9235 5.9235 5.9644 6.0394 6.1609 6.1609 6.3766 6.3766 6.4993 6.5717 6.5717 6.6163 7.4057 7.4057 7.6332 7.7045 7.7045 7.8768 8.6613 8.7191 8.7571 8.7571 9.3179 9.3179 9.7242 9.7242 9.8859 10.1766 10.1766 10.4267 10.5485 10.5485 10.8955 10.9229 11.1127 11.1127 k = 0.3333 0.5774 0.3280 ( 6879 PWs) bands (ev): -2.6907 -2.6907 -2.6887 -2.6844 -2.4806 -2.4806 -1.6019 -1.6004 -1.6004 -1.5944 -1.2613 -1.2613 3.0884 3.0884 3.6086 3.6157 3.6157 3.7483 3.7483 3.7641 4.1249 4.1249 4.1736 4.1867 4.7779 4.7779 4.8781 4.8781 4.8851 4.9919 5.1288 5.1288 5.4291 5.5815 5.5815 5.5824 5.9182 5.9182 5.9521 6.0497 6.1616 6.1616 6.3777 6.3777 6.5152 6.5794 6.5794 6.5980 7.3966 7.3966 7.6307 7.7020 7.7020 7.8529 8.7103 8.7951 8.8175 8.8175 9.3365 9.3365 9.7505 9.7505 9.9262 10.2320 10.2320 10.4318 10.5763 10.5763 10.8385 10.9194 11.0654 11.0654 k = 0.3333 0.5774 0.3485 ( 6870 PWs) bands (ev): -2.6646 -2.6646 -2.6628 -2.6582 -2.4614 -2.4614 -1.6412 -1.6395 -1.6395 -1.6334 -1.2886 -1.2886 3.0972 3.0972 3.6230 3.6235 3.6235 3.7312 3.7312 3.7726 4.1246 4.1246 4.1725 4.1837 4.7765 4.7765 4.8852 4.8852 4.9076 4.9974 5.1491 5.1491 5.4243 5.5809 5.5809 5.5842 5.9126 5.9126 5.9410 6.0632 6.1641 6.1641 6.3778 6.3778 6.5309 6.5802 6.5874 6.5874 7.3827 7.3827 7.6227 7.6903 7.6903 7.8255 8.7599 8.8763 8.8775 8.8775 9.3455 9.3455 9.7753 9.7753 9.9619 10.2929 10.2929 10.3956 10.5962 10.5962 10.8107 10.9223 11.0258 11.0258 k = 0.3333 0.5774 0.3690 ( 6891 PWs) bands (ev): -2.6380 -2.6380 -2.6362 -2.6314 -2.4415 -2.4415 -1.6806 -1.6789 -1.6789 -1.6726 -1.3176 -1.3176 3.1103 3.1103 3.6323 3.6323 3.6391 3.7170 3.7170 3.7824 4.1252 4.1252 4.1726 4.1818 4.7748 4.7748 4.8919 4.8919 4.9298 5.0036 5.1681 5.1681 5.4177 5.5787 5.5787 5.5805 5.9071 5.9071 5.9316 6.0795 6.1682 6.1682 6.3768 6.3768 6.5460 6.5632 6.5956 6.5956 7.3648 7.3648 7.6104 7.6703 7.6703 7.7958 8.8064 8.9322 8.9322 8.9607 9.3461 9.3461 9.7944 9.7944 9.9942 10.3174 10.3599 10.3599 10.6100 10.6100 10.8144 10.9301 10.9994 10.9994 k = 0.3333 0.5774 0.3895 ( 6891 PWs) bands (ev): -2.6110 -2.6110 -2.6093 -2.6042 -2.4209 -2.4209 -1.7198 -1.7180 -1.7180 -1.7115 -1.3478 -1.3478 3.1275 3.1275 3.6410 3.6410 3.6567 3.7066 3.7066 3.7931 4.1269 4.1269 4.1740 4.1810 4.7729 4.7729 4.8986 4.8986 4.9514 5.0105 5.1853 5.1853 5.4092 5.5720 5.5751 5.5751 5.9021 5.9021 5.9243 6.0979 6.1738 6.1738 6.3749 6.3749 6.5472 6.5604 6.6042 6.6042 7.3438 7.3438 7.5945 7.6433 7.6433 7.7650 8.8457 8.9759 8.9759 9.0464 9.3372 9.3372 9.8093 9.8093 10.0257 10.2109 10.4324 10.4324 10.6200 10.6200 10.8375 10.9390 10.9871 10.9871 k = 0.3333 0.5774 0.4100 ( 6903 PWs) bands (ev): -2.5841 -2.5841 -2.5826 -2.5770 -2.3999 -2.3999 -1.7583 -1.7562 -1.7562 -1.7495 -1.3789 -1.3789 3.1487 3.1487 3.6478 3.6478 3.6753 3.7016 3.7016 3.8043 4.1298 4.1298 4.1772 4.1815 4.7706 4.7706 4.9052 4.9052 4.9724 5.0181 5.2002 5.2002 5.3989 5.5593 5.5703 5.5703 5.8979 5.8979 5.9194 6.1175 6.1804 6.1804 6.3722 6.3722 6.5328 6.5738 6.6132 6.6132 7.3203 7.3203 7.5759 7.6104 7.6104 7.7337 8.8736 9.0030 9.0030 9.1309 9.3154 9.3154 9.8268 9.8268 10.0600 10.0889 10.5087 10.5087 10.6281 10.6281 10.8689 10.9422 10.9875 10.9875 k = 0.3333 0.5774 0.4305 ( 6903 PWs) bands (ev): -2.5578 -2.5578 -2.5564 -2.5503 -2.3787 -2.3787 -1.7952 -1.7928 -1.7928 -1.7859 -1.4104 -1.4104 3.1736 3.1736 3.6508 3.6508 3.6946 3.7035 3.7035 3.8156 4.1343 4.1343 4.1822 4.1834 4.7680 4.7680 4.9119 4.9119 4.9924 5.0264 5.2124 5.2124 5.3870 5.5431 5.5644 5.5644 5.8949 5.8949 5.9170 6.1375 6.1879 6.1879 6.3688 6.3688 6.5201 6.5861 6.6227 6.6227 7.2949 7.2949 7.5551 7.5730 7.5730 7.7026 8.8861 9.0093 9.0093 9.2112 9.2765 9.2765 9.8555 9.8555 9.9602 10.1008 10.5847 10.5847 10.6350 10.6350 10.9030 10.9312 10.9985 10.9985 k = 0.3333 0.5774 0.4510 ( 6903 PWs) bands (ev): -2.5328 -2.5328 -2.5315 -2.5249 -2.3575 -2.3575 -1.8298 -1.8271 -1.8271 -1.8198 -1.4420 -1.4420 3.2019 3.2019 3.6506 3.6506 3.7115 3.7115 3.7142 3.8267 4.1404 4.1404 4.1869 4.1891 4.7650 4.7650 4.9188 4.9188 5.0111 5.0354 5.2216 5.2216 5.3739 5.5238 5.5578 5.5578 5.8931 5.8931 5.9172 6.1570 6.1960 6.1960 6.3646 6.3646 6.5097 6.5971 6.6328 6.6328 7.2680 7.2680 7.5322 7.5322 7.5326 7.6720 8.8803 8.9935 8.9935 9.2195 9.2195 9.2817 9.8326 9.8997 9.8997 10.1509 10.6342 10.6342 10.6610 10.6610 10.9014 10.9371 11.0199 11.0199 k = 0.3333 0.5774 0.4715 ( 6903 PWs) bands (ev): -2.5098 -2.5098 -2.5087 -2.5015 -2.3369 -2.3369 -1.8612 -1.8581 -1.8581 -1.8505 -1.4731 -1.4731 3.2333 3.2333 3.6496 3.6496 3.7229 3.7229 3.7337 3.8371 4.1484 4.1484 4.1919 4.1981 4.7616 4.7616 4.9257 4.9257 5.0280 5.0452 5.2276 5.2276 5.3604 5.5022 5.5507 5.5507 5.8928 5.8928 5.9197 6.1754 6.2043 6.2043 6.3597 6.3597 6.5020 6.6068 6.6436 6.6436 7.2399 7.2399 7.4893 7.4893 7.5089 7.6423 8.8554 8.9556 8.9556 9.1479 9.1479 9.3296 9.7199 9.9577 9.9577 10.2112 10.6360 10.6360 10.7191 10.7191 10.8569 10.9704 11.0530 11.0530 k = 0.3333 0.5774 0.4920 ( 6912 PWs) bands (ev): -2.4900 -2.4900 -2.4891 -2.4812 -2.3172 -2.3172 -1.8882 -1.8847 -1.8847 -1.8767 -1.5031 -1.5031 3.2672 3.2672 3.6494 3.6494 3.7358 3.7358 3.7528 3.8468 4.1584 4.1584 4.1987 4.2090 4.7577 4.7577 4.9326 4.9326 5.0422 5.0556 5.2305 5.2305 5.3476 5.4786 5.5432 5.5432 5.8938 5.8938 5.9245 6.1918 6.2124 6.2124 6.3543 6.3543 6.4972 6.6151 6.6552 6.6552 7.2106 7.2106 7.4453 7.4453 7.4843 7.6136 8.8124 8.8969 8.8969 9.0676 9.0676 9.3253 9.6520 10.0236 10.0236 10.2800 10.6318 10.6318 10.7610 10.7610 10.8071 11.0032 11.1003 11.1003 k = 0.3333 0.5774 0.5125 ( 6912 PWs) bands (ev): -2.4745 -2.4745 -2.4738 -2.4652 -2.2988 -2.2988 -1.9095 -1.9056 -1.9056 -1.8972 -1.5314 -1.5314 3.3035 3.3035 3.6510 3.6510 3.7490 3.7490 3.7710 3.8557 4.1706 4.1706 4.2073 4.2219 4.7532 4.7532 4.9394 4.9394 5.0528 5.0665 5.2306 5.2306 5.3366 5.4535 5.5356 5.5356 5.8962 5.8962 5.9312 6.2058 6.2201 6.2201 6.3483 6.3483 6.4958 6.6219 6.6678 6.6678 7.1803 7.1803 7.4013 7.4013 7.4590 7.5862 8.7536 8.8193 8.8193 8.9836 8.9836 9.2490 9.6490 10.0901 10.0901 10.3516 10.6235 10.6235 10.7624 10.7847 10.7847 11.0362 11.1615 11.1615 k = 0.3333 0.5774 0.5330 ( 6906 PWs) bands (ev): -2.4645 -2.4645 -2.4639 -2.4548 -2.2824 -2.2824 -1.9238 -1.9195 -1.9195 -1.9108 -1.5573 -1.5573 3.3415 3.3415 3.6549 3.6549 3.7619 3.7619 3.7882 3.8636 4.1849 4.1849 4.2177 4.2364 4.7482 4.7482 4.9459 4.9459 5.0586 5.0780 5.2283 5.2283 5.3290 5.4273 5.5276 5.5276 5.8999 5.8999 5.9395 6.2170 6.2269 6.2269 6.3417 6.3417 6.4979 6.6274 6.6812 6.6812 7.1490 7.1490 7.3580 7.3580 7.4332 7.5600 8.6820 8.7269 8.7269 8.8984 8.8984 9.1315 9.6802 10.1496 10.1496 10.4133 10.6115 10.6115 10.7369 10.7969 10.7969 11.0703 11.2329 11.2329 Writing output data file Bi2Pt.save init_run : 0.76s CPU 1.04s WALL ( 1 calls) electrons : 815.85s CPU 833.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.07s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 815.84s CPU 833.93s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.27s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 239 calls) cegterg : 780.32s CPU 797.20s WALL ( 610 calls) Called by sum_band: Called by *egterg: h_psi : 462.92s CPU 483.56s WALL ( 11071 calls) s_psi : 29.27s CPU 29.37s WALL ( 11071 calls) g_psi : 1.11s CPU 1.13s WALL ( 10222 calls) cdiaghg : 212.98s CPU 209.97s WALL ( 10461 calls) cegterg:over : 43.33s CPU 41.49s WALL ( 10222 calls) cegterg:upda : 22.65s CPU 26.04s WALL ( 10222 calls) cegterg:last : 16.92s CPU 17.56s WALL ( 1806 calls) Called by h_psi: h_psi:vloc : 414.41s CPU 429.46s WALL ( 11071 calls) h_psi:vnl : 48.20s CPU 53.35s WALL ( 11071 calls) add_vuspsi : 24.41s CPU 27.29s WALL ( 11071 calls) General routines calbec : 23.77s CPU 26.02s WALL ( 11071 calls) fft : 0.04s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 410.92s CPU 401.33s WALL ( 1689960 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.05s CPU 0.21s WALL ( 478 calls) Parallel routines fft_scatter : 390.90s CPU 257.28s WALL ( 1689983 calls) PWSCF : 14m 8.10s CPU 14m40.59s WALL This run was terminated on: 1:42:27 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=