Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:59: 6 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./GePt3.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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 105 39 11 3420 788 122 Max 106 40 12 3423 810 126 Sum 3793 1439 417 123173 28743 4461 bravais-lattice index = 14 lattice parameter (alat) = 10.4965 a.u. unit-cell volume = 809.4153 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 68.00 number of Kohn-Sham states= 82 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)= 10.496509 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.509944 celldm(5)= -0.509944 celldm(6)= 0.019889 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.019889 0.999802 0.000000 ) a(3) = ( -0.509944 -0.499901 0.700040 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.019893 0.714245 ) b(2) = ( 0.000000 1.000198 0.714245 ) b(3) = ( 0.000000 0.000000 1.428490 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/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 Ge 4.00 72.64000 Ge( 1.00) Pt 10.00 195.08400 Pt( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.4900556 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.4999011 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5099444 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.4999011 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 308 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 2) = ( 0.0000000 0.0000000 0.0174206), wk = 0.0032468 k( 3) = ( 0.0000000 0.0000000 0.0348412), wk = 0.0032468 k( 4) = ( 0.0000000 0.0000000 0.0522618), wk = 0.0032468 k( 5) = ( 0.0000000 0.0000000 0.0696825), wk = 0.0032468 k( 6) = ( 0.0000000 0.0000000 0.0871031), wk = 0.0032468 k( 7) = ( 0.0000000 0.0000000 0.1045237), wk = 0.0032468 k( 8) = ( 0.0000000 0.0000000 0.1219443), wk = 0.0032468 k( 9) = ( 0.0000000 0.0000000 0.1393649), wk = 0.0032468 k( 10) = ( 0.0000000 0.0000000 0.1567855), wk = 0.0032468 k( 11) = ( 0.0000000 0.0000000 0.1742061), wk = 0.0032468 k( 12) = ( 0.0000000 0.0000000 0.1916268), wk = 0.0032468 k( 13) = ( 0.0000000 0.0000000 0.2090474), wk = 0.0032468 k( 14) = ( 0.0000000 0.0000000 0.2264680), wk = 0.0032468 k( 15) = ( 0.0000000 0.0000000 0.2438886), wk = 0.0032468 k( 16) = ( 0.0000000 0.0000000 0.2613092), wk = 0.0032468 k( 17) = ( 0.0000000 0.0000000 0.2787298), wk = 0.0032468 k( 18) = ( 0.0000000 0.0000000 0.2961504), wk = 0.0032468 k( 19) = ( 0.0000000 0.0000000 0.3135711), wk = 0.0032468 k( 20) = ( 0.0000000 0.0000000 0.3309917), wk = 0.0032468 k( 21) = ( 0.0000000 0.0000000 0.3484123), wk = 0.0032468 k( 22) = ( 0.0000000 0.0000000 0.3658329), wk = 0.0032468 k( 23) = ( 0.0000000 0.0000000 0.3832535), wk = 0.0032468 k( 24) = ( 0.0000000 0.0000000 0.4006741), wk = 0.0032468 k( 25) = ( 0.0000000 0.0000000 0.4180948), wk = 0.0032468 k( 26) = ( 0.0000000 0.0000000 0.4355154), wk = 0.0032468 k( 27) = ( 0.0000000 0.0000000 0.4529360), wk = 0.0032468 k( 28) = ( 0.0000000 0.0000000 0.4703566), wk = 0.0032468 k( 29) = ( 0.0000000 0.0000000 0.4877772), wk = 0.0032468 k( 30) = ( 0.0000000 0.0000000 0.5051978), wk = 0.0032468 k( 31) = ( 0.0000000 0.0000000 0.5226184), wk = 0.0032468 k( 32) = ( 0.0000000 0.0000000 0.5400390), wk = 0.0032468 k( 33) = ( 0.0000000 0.0000000 0.5574597), wk = 0.0032468 k( 34) = ( 0.0000000 0.0000000 0.5748803), wk = 0.0032468 k( 35) = ( 0.0000000 0.0000000 0.5923009), wk = 0.0032468 k( 36) = ( 0.0000000 0.0000000 0.6097215), wk = 0.0032468 k( 37) = ( 0.0000000 0.0000000 0.6271421), wk = 0.0032468 k( 38) = ( 0.0000000 0.0000000 0.6445627), wk = 0.0032468 k( 39) = ( 0.0000000 0.0000000 0.6619833), wk = 0.0032468 k( 40) = ( 0.0000000 0.0000000 0.6794040), wk = 0.0032468 k( 41) = ( 0.0000000 0.0000000 0.6968246), wk = 0.0032468 k( 42) = ( 0.0000000 0.0000000 0.7142452), wk = 0.0032468 k( 43) = ( 0.0000000 0.0000000 0.7142452), wk = 0.0032468 k( 44) = ( -0.0120125 0.0122538 0.7142452), wk = 0.0032468 k( 45) = ( -0.0240249 0.0245076 0.7142452), wk = 0.0032468 k( 46) = ( -0.0360374 0.0367614 0.7142452), wk = 0.0032468 k( 47) = ( -0.0480499 0.0490153 0.7142452), wk = 0.0032468 k( 48) = ( -0.0600624 0.0612691 0.7142452), wk = 0.0032468 k( 49) = ( -0.0720749 0.0735229 0.7142452), wk = 0.0032468 k( 50) = ( -0.0840873 0.0857767 0.7142452), wk = 0.0032468 k( 51) = ( -0.0960998 0.0980305 0.7142452), wk = 0.0032468 k( 52) = ( -0.1081123 0.1102843 0.7142452), wk = 0.0032468 k( 53) = ( -0.1201248 0.1225381 0.7142452), wk = 0.0032468 k( 54) = ( -0.1321372 0.1347920 0.7142452), wk = 0.0032468 k( 55) = ( -0.1441497 0.1470458 0.7142452), wk = 0.0032468 k( 56) = ( -0.1561622 0.1592996 0.7142452), wk = 0.0032468 k( 57) = ( -0.1681747 0.1715534 0.7142452), wk = 0.0032468 k( 58) = ( -0.1801871 0.1838072 0.7142452), wk = 0.0032468 k( 59) = ( -0.1921996 0.1960610 0.7142452), wk = 0.0032468 k( 60) = ( -0.2042121 0.2083148 0.7142452), wk = 0.0032468 k( 61) = ( -0.2162246 0.2205686 0.7142452), wk = 0.0032468 k( 62) = ( -0.2282370 0.2328225 0.7142452), wk = 0.0032468 k( 63) = ( -0.2402495 0.2450763 0.7142452), wk = 0.0032468 k( 64) = ( -0.2402495 0.2450763 0.7142452), wk = 0.0032468 k( 65) = ( -0.2489079 0.2539086 0.7018768), wk = 0.0032468 k( 66) = ( -0.2575662 0.2627409 0.6895085), wk = 0.0032468 k( 67) = ( -0.2662246 0.2715732 0.6771401), wk = 0.0032468 k( 68) = ( -0.2748829 0.2804055 0.6647717), wk = 0.0032468 k( 69) = ( -0.2835413 0.2892378 0.6524033), wk = 0.0032468 k( 70) = ( -0.2921996 0.2980701 0.6400350), wk = 0.0032468 k( 71) = ( -0.3008580 0.3069024 0.6276666), wk = 0.0032468 k( 72) = ( -0.3095163 0.3157347 0.6152983), wk = 0.0032468 k( 73) = ( -0.3181747 0.3245670 0.6029299), wk = 0.0032468 k( 74) = ( -0.3268330 0.3333993 0.5905615), wk = 0.0032468 k( 75) = ( -0.3354914 0.3422316 0.5781931), wk = 0.0032468 k( 76) = ( -0.3441497 0.3510639 0.5658248), wk = 0.0032468 k( 77) = ( -0.3528081 0.3598962 0.5534564), wk = 0.0032468 k( 78) = ( -0.3614664 0.3687285 0.5410880), wk = 0.0032468 k( 79) = ( -0.3701248 0.3775608 0.5287197), wk = 0.0032468 k( 80) = ( -0.3701248 0.3775608 0.5287197), wk = 0.0032468 k( 81) = ( -0.3615172 0.3687803 0.5164239), wk = 0.0032468 k( 82) = ( -0.3529097 0.3599998 0.5041281), wk = 0.0032468 k( 83) = ( -0.3443021 0.3512193 0.4918322), wk = 0.0032468 k( 84) = ( -0.3356945 0.3424388 0.4795364), wk = 0.0032468 k( 85) = ( -0.3270870 0.3336584 0.4672406), wk = 0.0032468 k( 86) = ( -0.3184794 0.3248779 0.4549448), wk = 0.0032468 k( 87) = ( -0.3098719 0.3160974 0.4426490), wk = 0.0032468 k( 88) = ( -0.3012643 0.3073169 0.4303532), wk = 0.0032468 k( 89) = ( -0.2926568 0.2985364 0.4180574), wk = 0.0032468 k( 90) = ( -0.2840492 0.2897560 0.4057616), wk = 0.0032468 k( 91) = ( -0.2754417 0.2809755 0.3934658), wk = 0.0032468 k( 92) = ( -0.2668341 0.2721950 0.3811700), wk = 0.0032468 k( 93) = ( -0.2582266 0.2634145 0.3688742), wk = 0.0032468 k( 94) = ( -0.2496190 0.2546340 0.3565784), wk = 0.0032468 k( 95) = ( -0.2410115 0.2458535 0.3442826), wk = 0.0032468 k( 96) = ( -0.2324039 0.2370730 0.3319868), wk = 0.0032468 k( 97) = ( -0.2237964 0.2282926 0.3196910), wk = 0.0032468 k( 98) = ( -0.2151888 0.2195121 0.3073951), wk = 0.0032468 k( 99) = ( -0.2065813 0.2107316 0.2950993), wk = 0.0032468 k( 100) = ( -0.1979737 0.2019511 0.2828035), wk = 0.0032468 k( 101) = ( -0.1893662 0.1931706 0.2705077), wk = 0.0032468 k( 102) = ( -0.1807586 0.1843901 0.2582119), wk = 0.0032468 k( 103) = ( -0.1721510 0.1756097 0.2459161), wk = 0.0032468 k( 104) = ( -0.1635435 0.1668292 0.2336203), wk = 0.0032468 k( 105) = ( -0.1549359 0.1580487 0.2213245), wk = 0.0032468 k( 106) = ( -0.1463284 0.1492682 0.2090287), wk = 0.0032468 k( 107) = ( -0.1377208 0.1404877 0.1967329), wk = 0.0032468 k( 108) = ( -0.1291133 0.1317073 0.1844371), wk = 0.0032468 k( 109) = ( -0.1205057 0.1229268 0.1721413), wk = 0.0032468 k( 110) = ( -0.1118982 0.1141463 0.1598455), wk = 0.0032468 k( 111) = ( -0.1032906 0.1053658 0.1475497), wk = 0.0032468 k( 112) = ( -0.0946831 0.0965853 0.1352539), wk = 0.0032468 k( 113) = ( -0.0860755 0.0878048 0.1229581), wk = 0.0032468 k( 114) = ( -0.0774680 0.0790243 0.1106623), wk = 0.0032468 k( 115) = ( -0.0688604 0.0702439 0.0983664), wk = 0.0032468 k( 116) = ( -0.0602529 0.0614634 0.0860706), wk = 0.0032468 k( 117) = ( -0.0516453 0.0526829 0.0737748), wk = 0.0032468 k( 118) = ( -0.0430378 0.0439024 0.0614790), wk = 0.0032468 k( 119) = ( -0.0344302 0.0351219 0.0491832), wk = 0.0032468 k( 120) = ( -0.0258227 0.0263415 0.0368874), wk = 0.0032468 k( 121) = ( -0.0172151 0.0175610 0.0245916), wk = 0.0032468 k( 122) = ( -0.0086076 0.0087805 0.0122958), wk = 0.0032468 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 125) = ( 0.0125000 0.0122538 0.0000000), wk = 0.0032468 k( 126) = ( 0.0250000 0.0245076 0.0000000), wk = 0.0032468 k( 127) = ( 0.0375000 0.0367614 0.0000000), wk = 0.0032468 k( 128) = ( 0.0500000 0.0490153 0.0000000), wk = 0.0032468 k( 129) = ( 0.0625000 0.0612691 0.0000000), wk = 0.0032468 k( 130) = ( 0.0750000 0.0735229 0.0000000), wk = 0.0032468 k( 131) = ( 0.0875000 0.0857767 0.0000000), wk = 0.0032468 k( 132) = ( 0.1000000 0.0980305 0.0000000), wk = 0.0032468 k( 133) = ( 0.1125000 0.1102843 0.0000000), wk = 0.0032468 k( 134) = ( 0.1250000 0.1225381 0.0000000), wk = 0.0032468 k( 135) = ( 0.1375000 0.1347920 0.0000000), wk = 0.0032468 k( 136) = ( 0.1500000 0.1470458 0.0000000), wk = 0.0032468 k( 137) = ( 0.1625000 0.1592996 0.0000000), wk = 0.0032468 k( 138) = ( 0.1750000 0.1715534 0.0000000), wk = 0.0032468 k( 139) = ( 0.1875000 0.1838072 0.0000000), wk = 0.0032468 k( 140) = ( 0.2000000 0.1960610 0.0000000), wk = 0.0032468 k( 141) = ( 0.2125000 0.2083148 0.0000000), wk = 0.0032468 k( 142) = ( 0.2250000 0.2205686 0.0000000), wk = 0.0032468 k( 143) = ( 0.2375000 0.2328225 0.0000000), wk = 0.0032468 k( 144) = ( 0.2500000 0.2450763 0.0000000), wk = 0.0032468 k( 145) = ( 0.2625000 0.2573301 0.0000000), wk = 0.0032468 k( 146) = ( 0.2750000 0.2695839 0.0000000), wk = 0.0032468 k( 147) = ( 0.2875000 0.2818377 0.0000000), wk = 0.0032468 k( 148) = ( 0.3000000 0.2940915 0.0000000), wk = 0.0032468 k( 149) = ( 0.3125000 0.3063453 0.0000000), wk = 0.0032468 k( 150) = ( 0.3250000 0.3185992 0.0000000), wk = 0.0032468 k( 151) = ( 0.3375000 0.3308530 0.0000000), wk = 0.0032468 k( 152) = ( 0.3500000 0.3431068 0.0000000), wk = 0.0032468 k( 153) = ( 0.3625000 0.3553606 0.0000000), wk = 0.0032468 k( 154) = ( 0.3750000 0.3676144 0.0000000), wk = 0.0032468 k( 155) = ( 0.3875000 0.3798682 0.0000000), wk = 0.0032468 k( 156) = ( 0.4000000 0.3921220 0.0000000), wk = 0.0032468 k( 157) = ( 0.4125000 0.4043759 0.0000000), wk = 0.0032468 k( 158) = ( 0.4250000 0.4166297 0.0000000), wk = 0.0032468 k( 159) = ( 0.4375000 0.4288835 0.0000000), wk = 0.0032468 k( 160) = ( 0.4500000 0.4411373 0.0000000), wk = 0.0032468 k( 161) = ( 0.4625000 0.4533911 0.0000000), wk = 0.0032468 k( 162) = ( 0.4750000 0.4656449 0.0000000), wk = 0.0032468 k( 163) = ( 0.4875000 0.4778987 0.0000000), wk = 0.0032468 k( 164) = ( 0.5000000 0.4901526 0.0000000), wk = 0.0032468 k( 165) = ( 0.5000000 0.4901526 0.0000000), wk = 0.0032468 k( 166) = ( 0.4913417 0.4989849 0.0123684), wk = 0.0032468 k( 167) = ( 0.4826833 0.5078172 0.0247367), wk = 0.0032468 k( 168) = ( 0.4740250 0.5166495 0.0371051), wk = 0.0032468 k( 169) = ( 0.4653666 0.5254818 0.0494735), wk = 0.0032468 k( 170) = ( 0.4567082 0.5343141 0.0618418), wk = 0.0032468 k( 171) = ( 0.4480499 0.5431464 0.0742102), wk = 0.0032468 k( 172) = ( 0.4393916 0.5519787 0.0865786), wk = 0.0032468 k( 173) = ( 0.4307332 0.5608110 0.0989469), wk = 0.0032468 k( 174) = ( 0.4220749 0.5696433 0.1113153), wk = 0.0032468 k( 175) = ( 0.4134165 0.5784756 0.1236837), wk = 0.0032468 k( 176) = ( 0.4047582 0.5873079 0.1360521), wk = 0.0032468 k( 177) = ( 0.3960998 0.5961402 0.1484204), wk = 0.0032468 k( 178) = ( 0.3874415 0.6049725 0.1607888), wk = 0.0032468 k( 179) = ( 0.3787831 0.6138048 0.1731572), wk = 0.0032468 k( 180) = ( 0.3701248 0.6226371 0.1855255), wk = 0.0032468 k( 181) = ( 0.3701248 0.6226371 0.1855255), wk = 0.0032468 k( 182) = ( 0.3553198 0.6177355 0.1923894), wk = 0.0032468 k( 183) = ( 0.3405148 0.6128340 0.1992533), wk = 0.0032468 k( 184) = ( 0.3257098 0.6079325 0.2061172), wk = 0.0032468 k( 185) = ( 0.3109048 0.6030310 0.2129811), wk = 0.0032468 k( 186) = ( 0.2960998 0.5981294 0.2198449), wk = 0.0032468 k( 187) = ( 0.2812948 0.5932279 0.2267088), wk = 0.0032468 k( 188) = ( 0.2664898 0.5883264 0.2335727), wk = 0.0032468 k( 189) = ( 0.2516848 0.5834249 0.2404366), wk = 0.0032468 k( 190) = ( 0.2368799 0.5785233 0.2473005), wk = 0.0032468 k( 191) = ( 0.2220749 0.5736218 0.2541644), wk = 0.0032468 k( 192) = ( 0.2072699 0.5687203 0.2610282), wk = 0.0032468 k( 193) = ( 0.1924649 0.5638187 0.2678921), wk = 0.0032468 k( 194) = ( 0.1776599 0.5589172 0.2747560), wk = 0.0032468 k( 195) = ( 0.1628549 0.5540157 0.2816199), wk = 0.0032468 k( 196) = ( 0.1480499 0.5491142 0.2884838), wk = 0.0032468 k( 197) = ( 0.1332449 0.5442127 0.2953477), wk = 0.0032468 k( 198) = ( 0.1184399 0.5393111 0.3022115), wk = 0.0032468 k( 199) = ( 0.1036349 0.5344096 0.3090754), wk = 0.0032468 k( 200) = ( 0.0888299 0.5295081 0.3159393), wk = 0.0032468 k( 201) = ( 0.0740250 0.5246066 0.3228032), wk = 0.0032468 k( 202) = ( 0.0592200 0.5197050 0.3296671), wk = 0.0032468 k( 203) = ( 0.0444150 0.5148035 0.3365310), wk = 0.0032468 k( 204) = ( 0.0296100 0.5099020 0.3433948), wk = 0.0032468 k( 205) = ( 0.0148050 0.5050004 0.3502587), wk = 0.0032468 k( 206) = ( 0.0000000 0.5000989 0.3571226), wk = 0.0032468 k( 207) = ( 0.0000000 0.5000989 0.3571226), wk = 0.0032468 k( 208) = ( 0.0086207 0.4913050 0.3694372), wk = 0.0032468 k( 209) = ( 0.0172414 0.4825112 0.3817517), wk = 0.0032468 k( 210) = ( 0.0258621 0.4737173 0.3940663), wk = 0.0032468 k( 211) = ( 0.0344828 0.4649234 0.4063809), wk = 0.0032468 k( 212) = ( 0.0431035 0.4561295 0.4186955), wk = 0.0032468 k( 213) = ( 0.0517241 0.4473356 0.4310100), wk = 0.0032468 k( 214) = ( 0.0603448 0.4385417 0.4433246), wk = 0.0032468 k( 215) = ( 0.0689655 0.4297478 0.4556392), wk = 0.0032468 k( 216) = ( 0.0775862 0.4209540 0.4679538), wk = 0.0032468 k( 217) = ( 0.0862069 0.4121601 0.4802683), wk = 0.0032468 k( 218) = ( 0.0948276 0.4033662 0.4925829), wk = 0.0032468 k( 219) = ( 0.1034483 0.3945723 0.5048975), wk = 0.0032468 k( 220) = ( 0.1120690 0.3857784 0.5172120), wk = 0.0032468 k( 221) = ( 0.1206897 0.3769845 0.5295266), wk = 0.0032468 k( 222) = ( 0.1293103 0.3681907 0.5418412), wk = 0.0032468 k( 223) = ( 0.1379310 0.3593968 0.5541557), wk = 0.0032468 k( 224) = ( 0.1465517 0.3506029 0.5664703), wk = 0.0032468 k( 225) = ( 0.1551724 0.3418090 0.5787849), wk = 0.0032468 k( 226) = ( 0.1637931 0.3330151 0.5910995), wk = 0.0032468 k( 227) = ( 0.1724138 0.3242212 0.6034140), wk = 0.0032468 k( 228) = ( 0.1810345 0.3154274 0.6157286), wk = 0.0032468 k( 229) = ( 0.1896552 0.3066335 0.6280432), wk = 0.0032468 k( 230) = ( 0.1982759 0.2978396 0.6403578), wk = 0.0032468 k( 231) = ( 0.2068966 0.2890457 0.6526723), wk = 0.0032468 k( 232) = ( 0.2155172 0.2802518 0.6649869), wk = 0.0032468 k( 233) = ( 0.2241379 0.2714579 0.6773015), wk = 0.0032468 k( 234) = ( 0.2327586 0.2626640 0.6896160), wk = 0.0032468 k( 235) = ( 0.2413793 0.2538702 0.7019306), wk = 0.0032468 k( 236) = ( 0.2500000 0.2450763 0.7142452), wk = 0.0032468 k( 237) = ( 0.2500000 0.2450763 0.7142452), wk = 0.0032468 k( 238) = ( 0.2589286 0.2538290 0.7019883), wk = 0.0032468 k( 239) = ( 0.2678571 0.2625817 0.6897313), wk = 0.0032468 k( 240) = ( 0.2767857 0.2713344 0.6774744), wk = 0.0032468 k( 241) = ( 0.2857143 0.2800872 0.6652175), wk = 0.0032468 k( 242) = ( 0.2946429 0.2888399 0.6529605), wk = 0.0032468 k( 243) = ( 0.3035714 0.2975926 0.6407036), wk = 0.0032468 k( 244) = ( 0.3125000 0.3063453 0.6284467), wk = 0.0032468 k( 245) = ( 0.3214286 0.3150981 0.6161897), wk = 0.0032468 k( 246) = ( 0.3303571 0.3238508 0.6039328), wk = 0.0032468 k( 247) = ( 0.3392857 0.3326035 0.5916758), wk = 0.0032468 k( 248) = ( 0.3482143 0.3413562 0.5794189), wk = 0.0032468 k( 249) = ( 0.3571429 0.3501090 0.5671620), wk = 0.0032468 k( 250) = ( 0.3660714 0.3588617 0.5549051), wk = 0.0032468 k( 251) = ( 0.3750000 0.3676144 0.5426481), wk = 0.0032468 k( 252) = ( 0.3839286 0.3763671 0.5303912), wk = 0.0032468 k( 253) = ( 0.3928571 0.3851199 0.5181343), wk = 0.0032468 k( 254) = ( 0.4017857 0.3938726 0.5058773), wk = 0.0032468 k( 255) = ( 0.4107143 0.4026253 0.4936204), wk = 0.0032468 k( 256) = ( 0.4196429 0.4113780 0.4813635), wk = 0.0032468 k( 257) = ( 0.4285714 0.4201308 0.4691065), wk = 0.0032468 k( 258) = ( 0.4375000 0.4288835 0.4568496), wk = 0.0032468 k( 259) = ( 0.4464286 0.4376362 0.4445927), wk = 0.0032468 k( 260) = ( 0.4553571 0.4463889 0.4323357), wk = 0.0032468 k( 261) = ( 0.4642857 0.4551417 0.4200788), wk = 0.0032468 k( 262) = ( 0.4732143 0.4638944 0.4078219), wk = 0.0032468 k( 263) = ( 0.4821429 0.4726471 0.3955649), wk = 0.0032468 k( 264) = ( 0.4910714 0.4813998 0.3833080), wk = 0.0032468 k( 265) = ( 0.5000000 0.4901526 0.3710511), wk = 0.0032468 k( 266) = ( 0.5000000 0.4901526 0.3710511), wk = 0.0032468 k( 267) = ( 0.5000000 0.4901526 0.3533820), wk = 0.0032468 k( 268) = ( 0.5000000 0.4901526 0.3357129), wk = 0.0032468 k( 269) = ( 0.5000000 0.4901526 0.3180438), wk = 0.0032468 k( 270) = ( 0.5000000 0.4901526 0.3003747), wk = 0.0032468 k( 271) = ( 0.5000000 0.4901526 0.2827056), wk = 0.0032468 k( 272) = ( 0.5000000 0.4901526 0.2650365), wk = 0.0032468 k( 273) = ( 0.5000000 0.4901526 0.2473674), wk = 0.0032468 k( 274) = ( 0.5000000 0.4901526 0.2296983), wk = 0.0032468 k( 275) = ( 0.5000000 0.4901526 0.2120292), wk = 0.0032468 k( 276) = ( 0.5000000 0.4901526 0.1943601), wk = 0.0032468 k( 277) = ( 0.5000000 0.4901526 0.1766910), wk = 0.0032468 k( 278) = ( 0.5000000 0.4901526 0.1590219), wk = 0.0032468 k( 279) = ( 0.5000000 0.4901526 0.1413528), wk = 0.0032468 k( 280) = ( 0.5000000 0.4901526 0.1236837), wk = 0.0032468 k( 281) = ( 0.5000000 0.4901526 0.1060146), wk = 0.0032468 k( 282) = ( 0.5000000 0.4901526 0.0883455), wk = 0.0032468 k( 283) = ( 0.5000000 0.4901526 0.0706764), wk = 0.0032468 k( 284) = ( 0.5000000 0.4901526 0.0530073), wk = 0.0032468 k( 285) = ( 0.5000000 0.4901526 0.0353382), wk = 0.0032468 k( 286) = ( 0.5000000 0.4901526 0.0176691), wk = 0.0032468 k( 287) = ( 0.5000000 0.4901526 0.0000000), wk = 0.0032468 k( 288) = ( 0.0000000 0.0000000 0.7142452), wk = 0.0032468 k( 289) = ( 0.0125000 0.0122538 0.7142452), wk = 0.0032468 k( 290) = ( 0.0250000 0.0245076 0.7142452), wk = 0.0032468 k( 291) = ( 0.0375000 0.0367614 0.7142452), wk = 0.0032468 k( 292) = ( 0.0500000 0.0490153 0.7142452), wk = 0.0032468 k( 293) = ( 0.0625000 0.0612691 0.7142452), wk = 0.0032468 k( 294) = ( 0.0750000 0.0735229 0.7142452), wk = 0.0032468 k( 295) = ( 0.0875000 0.0857767 0.7142452), wk = 0.0032468 k( 296) = ( 0.1000000 0.0980305 0.7142452), wk = 0.0032468 k( 297) = ( 0.1125000 0.1102843 0.7142452), wk = 0.0032468 k( 298) = ( 0.1250000 0.1225381 0.7142452), wk = 0.0032468 k( 299) = ( 0.1375000 0.1347920 0.7142452), wk = 0.0032468 k( 300) = ( 0.1500000 0.1470458 0.7142452), wk = 0.0032468 k( 301) = ( 0.1625000 0.1592996 0.7142452), wk = 0.0032468 k( 302) = ( 0.1750000 0.1715534 0.7142452), wk = 0.0032468 k( 303) = ( 0.1875000 0.1838072 0.7142452), wk = 0.0032468 k( 304) = ( 0.2000000 0.1960610 0.7142452), wk = 0.0032468 k( 305) = ( 0.2125000 0.2083148 0.7142452), wk = 0.0032468 k( 306) = ( 0.2250000 0.2205686 0.7142452), wk = 0.0032468 k( 307) = ( 0.2375000 0.2328225 0.7142452), wk = 0.0032468 k( 308) = ( 0.2500000 0.2450763 0.7142452), wk = 0.0032468 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0032468 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0032468 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0032468 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0032468 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0032468 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0032468 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0032468 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0032468 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0032468 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0032468 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0032468 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0032468 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0032468 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0032468 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0032468 k( 17) = ( 0.0000000 0.0000000 0.1951220), wk = 0.0032468 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0032468 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0032468 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0032468 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0032468 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0032468 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0032468 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0032468 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0032468 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0032468 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0032468 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0032468 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0032468 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0032468 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0032468 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0032468 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0032468 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0032468 k( 35) = ( 0.0000000 0.0000000 0.4146342), wk = 0.0032468 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0032468 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0032468 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0032468 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0032468 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0032468 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0032468 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 44) = ( -0.0120125 0.0120125 0.5000000), wk = 0.0032468 k( 45) = ( -0.0240249 0.0240249 0.5000000), wk = 0.0032468 k( 46) = ( -0.0360374 0.0360374 0.5000000), wk = 0.0032468 k( 47) = ( -0.0480499 0.0480499 0.5000000), wk = 0.0032468 k( 48) = ( -0.0600624 0.0600624 0.5000000), wk = 0.0032468 k( 49) = ( -0.0720749 0.0720749 0.5000000), wk = 0.0032468 k( 50) = ( -0.0840873 0.0840873 0.5000000), wk = 0.0032468 k( 51) = ( -0.0960998 0.0960998 0.5000000), wk = 0.0032468 k( 52) = ( -0.1081123 0.1081123 0.5000000), wk = 0.0032468 k( 53) = ( -0.1201248 0.1201248 0.5000000), wk = 0.0032468 k( 54) = ( -0.1321372 0.1321372 0.5000000), wk = 0.0032468 k( 55) = ( -0.1441497 0.1441497 0.5000000), wk = 0.0032468 k( 56) = ( -0.1561622 0.1561622 0.5000000), wk = 0.0032468 k( 57) = ( -0.1681747 0.1681747 0.5000000), wk = 0.0032468 k( 58) = ( -0.1801871 0.1801871 0.5000000), wk = 0.0032468 k( 59) = ( -0.1921996 0.1921996 0.5000000), wk = 0.0032468 k( 60) = ( -0.2042121 0.2042121 0.5000000), wk = 0.0032468 k( 61) = ( -0.2162246 0.2162246 0.5000000), wk = 0.0032468 k( 62) = ( -0.2282370 0.2282370 0.5000000), wk = 0.0032468 k( 63) = ( -0.2402495 0.2402495 0.5000000), wk = 0.0032468 k( 64) = ( -0.2402495 0.2402495 0.5000000), wk = 0.0032468 k( 65) = ( -0.2489079 0.2489079 0.4913417), wk = 0.0032468 k( 66) = ( -0.2575662 0.2575662 0.4826833), wk = 0.0032468 k( 67) = ( -0.2662246 0.2662246 0.4740250), wk = 0.0032468 k( 68) = ( -0.2748829 0.2748829 0.4653666), wk = 0.0032468 k( 69) = ( -0.2835413 0.2835413 0.4567083), wk = 0.0032468 k( 70) = ( -0.2921996 0.2921996 0.4480499), wk = 0.0032468 k( 71) = ( -0.3008580 0.3008580 0.4393916), wk = 0.0032468 k( 72) = ( -0.3095163 0.3095163 0.4307332), wk = 0.0032468 k( 73) = ( -0.3181747 0.3181747 0.4220749), wk = 0.0032468 k( 74) = ( -0.3268330 0.3268330 0.4134165), wk = 0.0032468 k( 75) = ( -0.3354914 0.3354914 0.4047582), wk = 0.0032468 k( 76) = ( -0.3441497 0.3441497 0.3960998), wk = 0.0032468 k( 77) = ( -0.3528081 0.3528081 0.3874415), wk = 0.0032468 k( 78) = ( -0.3614664 0.3614664 0.3787831), wk = 0.0032468 k( 79) = ( -0.3701248 0.3701248 0.3701248), wk = 0.0032468 k( 80) = ( -0.3701248 0.3701248 0.3701248), wk = 0.0032468 k( 81) = ( -0.3615172 0.3615172 0.3615172), wk = 0.0032468 k( 82) = ( -0.3529097 0.3529097 0.3529097), wk = 0.0032468 k( 83) = ( -0.3443021 0.3443021 0.3443021), wk = 0.0032468 k( 84) = ( -0.3356945 0.3356945 0.3356945), wk = 0.0032468 k( 85) = ( -0.3270870 0.3270870 0.3270870), wk = 0.0032468 k( 86) = ( -0.3184794 0.3184794 0.3184794), wk = 0.0032468 k( 87) = ( -0.3098719 0.3098719 0.3098719), wk = 0.0032468 k( 88) = ( -0.3012643 0.3012643 0.3012643), wk = 0.0032468 k( 89) = ( -0.2926568 0.2926568 0.2926568), wk = 0.0032468 k( 90) = ( -0.2840492 0.2840492 0.2840492), wk = 0.0032468 k( 91) = ( -0.2754417 0.2754417 0.2754417), wk = 0.0032468 k( 92) = ( -0.2668341 0.2668341 0.2668341), wk = 0.0032468 k( 93) = ( -0.2582266 0.2582266 0.2582266), wk = 0.0032468 k( 94) = ( -0.2496190 0.2496190 0.2496190), wk = 0.0032468 k( 95) = ( -0.2410115 0.2410115 0.2410115), wk = 0.0032468 k( 96) = ( -0.2324039 0.2324039 0.2324039), wk = 0.0032468 k( 97) = ( -0.2237964 0.2237964 0.2237964), wk = 0.0032468 k( 98) = ( -0.2151888 0.2151888 0.2151888), wk = 0.0032468 k( 99) = ( -0.2065813 0.2065813 0.2065813), wk = 0.0032468 k( 100) = ( -0.1979737 0.1979737 0.1979737), wk = 0.0032468 k( 101) = ( -0.1893662 0.1893662 0.1893662), wk = 0.0032468 k( 102) = ( -0.1807586 0.1807586 0.1807586), wk = 0.0032468 k( 103) = ( -0.1721510 0.1721510 0.1721511), wk = 0.0032468 k( 104) = ( -0.1635435 0.1635435 0.1635435), wk = 0.0032468 k( 105) = ( -0.1549359 0.1549359 0.1549359), wk = 0.0032468 k( 106) = ( -0.1463284 0.1463284 0.1463284), wk = 0.0032468 k( 107) = ( -0.1377208 0.1377208 0.1377208), wk = 0.0032468 k( 108) = ( -0.1291133 0.1291133 0.1291133), wk = 0.0032468 k( 109) = ( -0.1205057 0.1205057 0.1205057), wk = 0.0032468 k( 110) = ( -0.1118982 0.1118982 0.1118982), wk = 0.0032468 k( 111) = ( -0.1032906 0.1032906 0.1032906), wk = 0.0032468 k( 112) = ( -0.0946831 0.0946831 0.0946831), wk = 0.0032468 k( 113) = ( -0.0860755 0.0860755 0.0860755), wk = 0.0032468 k( 114) = ( -0.0774680 0.0774680 0.0774680), wk = 0.0032468 k( 115) = ( -0.0688604 0.0688604 0.0688604), wk = 0.0032468 k( 116) = ( -0.0602529 0.0602529 0.0602529), wk = 0.0032468 k( 117) = ( -0.0516453 0.0516453 0.0516453), wk = 0.0032468 k( 118) = ( -0.0430378 0.0430378 0.0430378), wk = 0.0032468 k( 119) = ( -0.0344302 0.0344302 0.0344302), wk = 0.0032468 k( 120) = ( -0.0258227 0.0258227 0.0258227), wk = 0.0032468 k( 121) = ( -0.0172151 0.0172151 0.0172151), wk = 0.0032468 k( 122) = ( -0.0086076 0.0086076 0.0086076), wk = 0.0032468 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 125) = ( 0.0125000 0.0125000 -0.0125000), wk = 0.0032468 k( 126) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0032468 k( 127) = ( 0.0375000 0.0375000 -0.0375000), wk = 0.0032468 k( 128) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0032468 k( 129) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0032468 k( 130) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0032468 k( 131) = ( 0.0875000 0.0875000 -0.0875000), wk = 0.0032468 k( 132) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0032468 k( 133) = ( 0.1125000 0.1125000 -0.1125000), wk = 0.0032468 k( 134) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0032468 k( 135) = ( 0.1375000 0.1375000 -0.1375000), wk = 0.0032468 k( 136) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0032468 k( 137) = ( 0.1625000 0.1625000 -0.1625000), wk = 0.0032468 k( 138) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0032468 k( 139) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0032468 k( 140) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0032468 k( 141) = ( 0.2125000 0.2125000 -0.2125000), wk = 0.0032468 k( 142) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0032468 k( 143) = ( 0.2375000 0.2375000 -0.2375000), wk = 0.0032468 k( 144) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0032468 k( 145) = ( 0.2625000 0.2625000 -0.2625000), wk = 0.0032468 k( 146) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0032468 k( 147) = ( 0.2875000 0.2875000 -0.2875000), wk = 0.0032468 k( 148) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0032468 k( 149) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0032468 k( 150) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0032468 k( 151) = ( 0.3375000 0.3375000 -0.3375000), wk = 0.0032468 k( 152) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0032468 k( 153) = ( 0.3625000 0.3625000 -0.3625000), wk = 0.0032468 k( 154) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0032468 k( 155) = ( 0.3875000 0.3875000 -0.3875000), wk = 0.0032468 k( 156) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0032468 k( 157) = ( 0.4125000 0.4125000 -0.4125000), wk = 0.0032468 k( 158) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0032468 k( 159) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0032468 k( 160) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0032468 k( 161) = ( 0.4625000 0.4625000 -0.4625000), wk = 0.0032468 k( 162) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0032468 k( 163) = ( 0.4875000 0.4875000 -0.4875000), wk = 0.0032468 k( 164) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032468 k( 165) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032468 k( 166) = ( 0.4913417 0.5086584 -0.4913417), wk = 0.0032468 k( 167) = ( 0.4826833 0.5173167 -0.4826833), wk = 0.0032468 k( 168) = ( 0.4740250 0.5259750 -0.4740250), wk = 0.0032468 k( 169) = ( 0.4653666 0.5346334 -0.4653666), wk = 0.0032468 k( 170) = ( 0.4567082 0.5432917 -0.4567082), wk = 0.0032468 k( 171) = ( 0.4480499 0.5519501 -0.4480499), wk = 0.0032468 k( 172) = ( 0.4393916 0.5606084 -0.4393916), wk = 0.0032468 k( 173) = ( 0.4307332 0.5692668 -0.4307332), wk = 0.0032468 k( 174) = ( 0.4220749 0.5779251 -0.4220749), wk = 0.0032468 k( 175) = ( 0.4134165 0.5865835 -0.4134165), wk = 0.0032468 k( 176) = ( 0.4047582 0.5952418 -0.4047582), wk = 0.0032468 k( 177) = ( 0.3960998 0.6039002 -0.3960998), wk = 0.0032468 k( 178) = ( 0.3874415 0.6125585 -0.3874415), wk = 0.0032468 k( 179) = ( 0.3787831 0.6212169 -0.3787831), wk = 0.0032468 k( 180) = ( 0.3701248 0.6298752 -0.3701248), wk = 0.0032468 k( 181) = ( 0.3701248 0.6298752 -0.3701248), wk = 0.0032468 k( 182) = ( 0.3553198 0.6246802 -0.3553198), wk = 0.0032468 k( 183) = ( 0.3405148 0.6194852 -0.3405148), wk = 0.0032468 k( 184) = ( 0.3257098 0.6142902 -0.3257098), wk = 0.0032468 k( 185) = ( 0.3109048 0.6090952 -0.3109048), wk = 0.0032468 k( 186) = ( 0.2960998 0.6039002 -0.2960998), wk = 0.0032468 k( 187) = ( 0.2812948 0.5987052 -0.2812948), wk = 0.0032468 k( 188) = ( 0.2664898 0.5935102 -0.2664898), wk = 0.0032468 k( 189) = ( 0.2516848 0.5883152 -0.2516848), wk = 0.0032468 k( 190) = ( 0.2368799 0.5831201 -0.2368799), wk = 0.0032468 k( 191) = ( 0.2220749 0.5779251 -0.2220749), wk = 0.0032468 k( 192) = ( 0.2072699 0.5727301 -0.2072699), wk = 0.0032468 k( 193) = ( 0.1924649 0.5675351 -0.1924649), wk = 0.0032468 k( 194) = ( 0.1776599 0.5623401 -0.1776599), wk = 0.0032468 k( 195) = ( 0.1628549 0.5571451 -0.1628549), wk = 0.0032468 k( 196) = ( 0.1480499 0.5519501 -0.1480499), wk = 0.0032468 k( 197) = ( 0.1332449 0.5467551 -0.1332449), wk = 0.0032468 k( 198) = ( 0.1184399 0.5415601 -0.1184399), wk = 0.0032468 k( 199) = ( 0.1036349 0.5363651 -0.1036349), wk = 0.0032468 k( 200) = ( 0.0888299 0.5311701 -0.0888299), wk = 0.0032468 k( 201) = ( 0.0740250 0.5259750 -0.0740250), wk = 0.0032468 k( 202) = ( 0.0592200 0.5207800 -0.0592200), wk = 0.0032468 k( 203) = ( 0.0444150 0.5155850 -0.0444150), wk = 0.0032468 k( 204) = ( 0.0296100 0.5103900 -0.0296100), wk = 0.0032468 k( 205) = ( 0.0148050 0.5051950 -0.0148050), wk = 0.0032468 k( 206) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032468 k( 207) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032468 k( 208) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0032468 k( 209) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0032468 k( 210) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0032468 k( 211) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0032468 k( 212) = ( 0.0431035 0.4568966 0.0431035), wk = 0.0032468 k( 213) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0032468 k( 214) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0032468 k( 215) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0032468 k( 216) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0032468 k( 217) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0032468 k( 218) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0032468 k( 219) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0032468 k( 220) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0032468 k( 221) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0032468 k( 222) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0032468 k( 223) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0032468 k( 224) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0032468 k( 225) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0032468 k( 226) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0032468 k( 227) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0032468 k( 228) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0032468 k( 229) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0032468 k( 230) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0032468 k( 231) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0032468 k( 232) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0032468 k( 233) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0032468 k( 234) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0032468 k( 235) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0032468 k( 236) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032468 k( 237) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032468 k( 238) = ( 0.2589286 0.2589286 0.2324911), wk = 0.0032468 k( 239) = ( 0.2678571 0.2678571 0.2149822), wk = 0.0032468 k( 240) = ( 0.2767857 0.2767857 0.1974733), wk = 0.0032468 k( 241) = ( 0.2857143 0.2857143 0.1799644), wk = 0.0032468 k( 242) = ( 0.2946429 0.2946429 0.1624554), wk = 0.0032468 k( 243) = ( 0.3035714 0.3035714 0.1449465), wk = 0.0032468 k( 244) = ( 0.3125000 0.3125000 0.1274376), wk = 0.0032468 k( 245) = ( 0.3214286 0.3214286 0.1099287), wk = 0.0032468 k( 246) = ( 0.3303571 0.3303571 0.0924198), wk = 0.0032468 k( 247) = ( 0.3392857 0.3392857 0.0749109), wk = 0.0032468 k( 248) = ( 0.3482143 0.3482143 0.0574020), wk = 0.0032468 k( 249) = ( 0.3571429 0.3571429 0.0398931), wk = 0.0032468 k( 250) = ( 0.3660714 0.3660714 0.0223841), wk = 0.0032468 k( 251) = ( 0.3750000 0.3750000 0.0048752), wk = 0.0032468 k( 252) = ( 0.3839286 0.3839286 -0.0126337), wk = 0.0032468 k( 253) = ( 0.3928571 0.3928571 -0.0301426), wk = 0.0032468 k( 254) = ( 0.4017857 0.4017857 -0.0476515), wk = 0.0032468 k( 255) = ( 0.4107143 0.4107143 -0.0651604), wk = 0.0032468 k( 256) = ( 0.4196429 0.4196429 -0.0826693), wk = 0.0032468 k( 257) = ( 0.4285714 0.4285714 -0.1001782), wk = 0.0032468 k( 258) = ( 0.4375000 0.4375000 -0.1176871), wk = 0.0032468 k( 259) = ( 0.4464286 0.4464286 -0.1351960), wk = 0.0032468 k( 260) = ( 0.4553571 0.4553571 -0.1527050), wk = 0.0032468 k( 261) = ( 0.4642857 0.4642857 -0.1702139), wk = 0.0032468 k( 262) = ( 0.4732143 0.4732143 -0.1877228), wk = 0.0032468 k( 263) = ( 0.4821429 0.4821429 -0.2052317), wk = 0.0032468 k( 264) = ( 0.4910714 0.4910714 -0.2227406), wk = 0.0032468 k( 265) = ( 0.5000000 0.5000000 -0.2402495), wk = 0.0032468 k( 266) = ( 0.5000000 0.5000000 -0.2402495), wk = 0.0032468 k( 267) = ( 0.5000000 0.5000000 -0.2526186), wk = 0.0032468 k( 268) = ( 0.5000000 0.5000000 -0.2649877), wk = 0.0032468 k( 269) = ( 0.5000000 0.5000000 -0.2773567), wk = 0.0032468 k( 270) = ( 0.5000000 0.5000000 -0.2897258), wk = 0.0032468 k( 271) = ( 0.5000000 0.5000000 -0.3020949), wk = 0.0032468 k( 272) = ( 0.5000000 0.5000000 -0.3144639), wk = 0.0032468 k( 273) = ( 0.5000000 0.5000000 -0.3268330), wk = 0.0032468 k( 274) = ( 0.5000000 0.5000000 -0.3392021), wk = 0.0032468 k( 275) = ( 0.5000000 0.5000000 -0.3515712), wk = 0.0032468 k( 276) = ( 0.5000000 0.5000000 -0.3639402), wk = 0.0032468 k( 277) = ( 0.5000000 0.5000000 -0.3763093), wk = 0.0032468 k( 278) = ( 0.5000000 0.5000000 -0.3886784), wk = 0.0032468 k( 279) = ( 0.5000000 0.5000000 -0.4010474), wk = 0.0032468 k( 280) = ( 0.5000000 0.5000000 -0.4134165), wk = 0.0032468 k( 281) = ( 0.5000000 0.5000000 -0.4257856), wk = 0.0032468 k( 282) = ( 0.5000000 0.5000000 -0.4381546), wk = 0.0032468 k( 283) = ( 0.5000000 0.5000000 -0.4505237), wk = 0.0032468 k( 284) = ( 0.5000000 0.5000000 -0.4628928), wk = 0.0032468 k( 285) = ( 0.5000000 0.5000000 -0.4752619), wk = 0.0032468 k( 286) = ( 0.5000000 0.5000000 -0.4876309), wk = 0.0032468 k( 287) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032468 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 289) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0032468 k( 290) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0032468 k( 291) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0032468 k( 292) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0032468 k( 293) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0032468 k( 294) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0032468 k( 295) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0032468 k( 296) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0032468 k( 297) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0032468 k( 298) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0032468 k( 299) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0032468 k( 300) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0032468 k( 301) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0032468 k( 302) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0032468 k( 303) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0032468 k( 304) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0032468 k( 305) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0032468 k( 306) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0032468 k( 307) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0032468 k( 308) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032468 Dense grid: 123173 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 28743 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 212, 82) NL pseudopotentials 0.38 Mb ( 106, 232) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3421) G-vector shells 0.01 Mb ( 1495) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 212, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.58 Mb ( 232, 2, 82) The potential is recalculated from file : ./GePt3.save/charge-density.dat Starting wfc are 124 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.2 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 total cpu time spent up to now is 12.8 secs Computing kpt #: 9 total cpu time spent up to now is 14.1 secs Computing kpt #: 10 total cpu time spent up to now is 15.5 secs Computing kpt #: 11 total cpu time spent up to now is 16.9 secs Computing kpt #: 12 total cpu time spent up to now is 18.3 secs Computing kpt #: 13 total cpu time spent up to now is 19.6 secs Computing kpt #: 14 total cpu time spent up to now is 21.1 secs Computing kpt #: 15 total cpu time spent up to now is 22.5 secs Computing kpt #: 16 total cpu time spent up to now is 23.9 secs Computing kpt #: 17 total cpu time spent up to now is 25.3 secs Computing kpt #: 18 total cpu time spent up to now is 26.7 secs Computing kpt #: 19 total cpu time spent up to now is 28.2 secs Computing kpt #: 20 total cpu time spent up to now is 29.6 secs Computing kpt #: 21 total cpu time spent up to now is 31.0 secs Computing kpt #: 22 total cpu time spent up to now is 32.5 secs Computing kpt #: 23 total cpu time spent up to now is 33.9 secs Computing kpt #: 24 total cpu time spent up to now is 35.5 secs Computing kpt #: 25 total cpu time spent up to now is 37.0 secs Computing kpt #: 26 total cpu time spent up to now is 38.6 secs Computing kpt #: 27 total cpu time spent up to now is 40.1 secs Computing kpt #: 28 total cpu time spent up to now is 41.9 secs Computing kpt #: 29 total cpu time spent up to now is 43.7 secs Computing kpt #: 30 total cpu time spent up to now is 45.2 secs Computing kpt #: 31 total cpu time spent up to now is 46.8 secs Computing kpt #: 32 total cpu time spent up to now is 48.4 secs Computing kpt #: 33 total cpu time spent up to now is 49.9 secs Computing kpt #: 34 total cpu time spent up to now is 51.5 secs Computing kpt #: 35 total cpu time spent up to now is 52.9 secs Computing kpt #: 36 total cpu time spent up to now is 54.4 secs Computing kpt #: 37 total cpu time spent up to now is 55.8 secs Computing kpt #: 38 total cpu time spent up to now is 57.2 secs Computing kpt #: 39 total cpu time spent up to now is 58.6 secs Computing kpt #: 40 total cpu time spent up to now is 60.0 secs Computing kpt #: 41 total cpu time spent up to now is 61.4 secs Computing kpt #: 42 total cpu time spent up to now is 62.8 secs Computing kpt #: 43 total cpu time spent up to now is 64.2 secs Computing kpt #: 44 total cpu time spent up to now is 65.6 secs Computing kpt #: 45 total cpu time spent up to now is 67.0 secs Computing kpt #: 46 total cpu time spent up to now is 68.4 secs Computing kpt #: 47 total cpu time spent up to now is 69.8 secs Computing kpt #: 48 total cpu time spent up to now is 71.2 secs Computing kpt #: 49 total cpu time spent up to now is 72.6 secs Computing kpt #: 50 total cpu time spent up to now is 73.8 secs Computing kpt #: 51 total cpu time spent up to now is 75.1 secs Computing kpt #: 52 total cpu time spent up to now is 76.4 secs Computing kpt #: 53 total cpu time spent up to now is 77.7 secs Computing kpt #: 54 total cpu time spent up to now is 78.9 secs Computing kpt #: 55 total cpu time spent up to now is 80.1 secs Computing kpt #: 56 total cpu time spent up to now is 81.3 secs Computing kpt #: 57 total cpu time spent up to now is 82.5 secs Computing kpt #: 58 total cpu time spent up to now is 83.7 secs Computing kpt #: 59 total cpu time spent up to now is 84.9 secs Computing kpt #: 60 total cpu time spent up to now is 86.1 secs Computing kpt #: 61 total cpu time spent up to now is 87.3 secs Computing kpt #: 62 total cpu time spent up to now is 88.5 secs Computing kpt #: 63 total cpu time spent up to now is 89.7 secs Computing kpt #: 64 total cpu time spent up to now is 91.0 secs Computing kpt #: 65 total cpu time spent up to now is 92.2 secs Computing kpt #: 66 total cpu time spent up to now is 93.4 secs Computing kpt #: 67 total cpu time spent up to now is 94.6 secs Computing kpt #: 68 total cpu time spent up to now is 95.9 secs Computing kpt #: 69 total cpu time spent up to now is 97.1 secs Computing kpt #: 70 total cpu time spent up to now is 98.4 secs Computing kpt #: 71 total cpu time spent up to now is 99.7 secs Computing kpt #: 72 total cpu time spent up to now is 101.0 secs Computing kpt #: 73 total cpu time spent up to now is 102.2 secs Computing kpt #: 74 total cpu time spent up to now is 103.6 secs Computing kpt #: 75 total cpu time spent up to now is 105.0 secs Computing kpt #: 76 total cpu time spent up to now is 106.5 secs Computing kpt #: 77 total cpu time spent up to now is 107.9 secs Computing kpt #: 78 total cpu time spent up to now is 109.3 secs Computing kpt #: 79 total cpu time spent up to now is 110.7 secs Computing kpt #: 80 total cpu time spent up to now is 112.1 secs Computing kpt #: 81 total cpu time spent up to now is 113.6 secs Computing kpt #: 82 total cpu time spent up to now is 115.0 secs Computing kpt #: 83 total cpu time spent up to now is 116.5 secs Computing kpt #: 84 total cpu time spent up to now is 118.0 secs Computing kpt #: 85 total cpu time spent up to now is 119.6 secs Computing kpt #: 86 total cpu time spent up to now is 121.1 secs Computing kpt #: 87 total cpu time spent up to now is 122.7 secs Computing kpt #: 88 total cpu time spent up to now is 124.2 secs Computing kpt #: 89 total cpu time spent up to now is 125.9 secs Computing kpt #: 90 total cpu time spent up to now is 127.4 secs Computing kpt #: 91 total cpu time spent up to now is 128.8 secs Computing kpt #: 92 total cpu time spent up to now is 130.2 secs Computing kpt #: 93 total cpu time spent up to now is 131.6 secs Computing kpt #: 94 total cpu time spent up to now is 133.0 secs Computing kpt #: 95 total cpu time spent up to now is 134.4 secs Computing kpt #: 96 total cpu time spent up to now is 135.7 secs Computing kpt #: 97 total cpu time spent up to now is 137.0 secs Computing kpt #: 98 total cpu time spent up to now is 138.3 secs Computing kpt #: 99 total cpu time spent up to now is 139.5 secs Computing kpt #: 100 total cpu time spent up to now is 140.8 secs Computing kpt #: 101 total cpu time spent up to now is 142.0 secs Computing kpt #: 102 total cpu time spent up to now is 143.3 secs Computing kpt #: 103 total cpu time spent up to now is 144.6 secs Computing kpt #: 104 total cpu time spent up to now is 145.9 secs Computing kpt #: 105 total cpu time spent up to now is 147.3 secs Computing kpt #: 106 total cpu time spent up to now is 148.7 secs Computing kpt #: 107 total cpu time spent up to now is 150.1 secs Computing kpt #: 108 total cpu time spent up to now is 151.5 secs Computing kpt #: 109 total cpu time spent up to now is 152.9 secs Computing kpt #: 110 total cpu time spent up to now is 154.3 secs Computing kpt #: 111 total cpu time spent up to now is 155.7 secs Computing kpt #: 112 total cpu time spent up to now is 157.1 secs Computing kpt #: 113 total cpu time spent up to now is 158.4 secs Computing kpt #: 114 total cpu time spent up to now is 159.6 secs Computing kpt #: 115 total cpu time spent up to now is 160.9 secs Computing kpt #: 116 total cpu time spent up to now is 162.2 secs Computing kpt #: 117 total cpu time spent up to now is 163.5 secs Computing kpt #: 118 total cpu time spent up to now is 164.8 secs Computing kpt #: 119 total cpu time spent up to now is 166.2 secs Computing kpt #: 120 total cpu time spent up to now is 167.5 secs Computing kpt #: 121 total cpu time spent up to now is 168.9 secs Computing kpt #: 122 total cpu time spent up to now is 170.3 secs Computing kpt #: 123 total cpu time spent up to now is 171.6 secs Computing kpt #: 124 total cpu time spent up to now is 173.0 secs Computing kpt #: 125 total cpu time spent up to now is 174.3 secs Computing kpt #: 126 total cpu time spent up to now is 175.7 secs Computing kpt #: 127 total cpu time spent up to now is 177.1 secs Computing kpt #: 128 total cpu time spent up to now is 178.4 secs Computing kpt #: 129 total cpu time spent up to now is 179.7 secs Computing kpt #: 130 total cpu time spent up to now is 180.9 secs Computing kpt #: 131 total cpu time spent up to now is 182.3 secs Computing kpt #: 132 total cpu time spent up to now is 183.7 secs Computing kpt #: 133 total cpu time spent up to now is 185.2 secs Computing kpt #: 134 total cpu time spent up to now is 186.6 secs Computing kpt #: 135 total cpu time spent up to now is 188.0 secs Computing kpt #: 136 total cpu time spent up to now is 189.5 secs Computing kpt #: 137 total cpu time spent up to now is 191.0 secs Computing kpt #: 138 total cpu time spent up to now is 192.5 secs Computing kpt #: 139 total cpu time spent up to now is 193.9 secs Computing kpt #: 140 total cpu time spent up to now is 195.4 secs Computing kpt #: 141 total cpu time spent up to now is 196.9 secs Computing kpt #: 142 total cpu time spent up to now is 198.4 secs Computing kpt #: 143 total cpu time spent up to now is 199.9 secs Computing kpt #: 144 total cpu time spent up to now is 201.5 secs Computing kpt #: 145 total cpu time spent up to now is 202.9 secs Computing kpt #: 146 total cpu time spent up to now is 204.3 secs Computing kpt #: 147 total cpu time spent up to now is 205.7 secs Computing kpt #: 148 total cpu time spent up to now is 207.1 secs Computing kpt #: 149 total cpu time spent up to now is 208.5 secs Computing kpt #: 150 total cpu time spent up to now is 209.9 secs Computing kpt #: 151 total cpu time spent up to now is 211.4 secs Computing kpt #: 152 total cpu time spent up to now is 212.8 secs Computing kpt #: 153 total cpu time spent up to now is 214.2 secs Computing kpt #: 154 total cpu time spent up to now is 215.6 secs Computing kpt #: 155 total cpu time spent up to now is 217.0 secs Computing kpt #: 156 total cpu time spent up to now is 218.5 secs Computing kpt #: 157 total cpu time spent up to now is 219.9 secs Computing kpt #: 158 total cpu time spent up to now is 221.4 secs Computing kpt #: 159 total cpu time spent up to now is 222.8 secs Computing kpt #: 160 total cpu time spent up to now is 224.2 secs Computing kpt #: 161 total cpu time spent up to now is 225.6 secs Computing kpt #: 162 total cpu time spent up to now is 226.8 secs Computing kpt #: 163 total cpu time spent up to now is 228.1 secs Computing kpt #: 164 total cpu time spent up to now is 229.3 secs Computing kpt #: 165 total cpu time spent up to now is 230.5 secs Computing kpt #: 166 total cpu time spent up to now is 231.8 secs Computing kpt #: 167 total cpu time spent up to now is 233.1 secs Computing kpt #: 168 total cpu time spent up to now is 234.3 secs Computing kpt #: 169 total cpu time spent up to now is 235.6 secs Computing kpt #: 170 total cpu time spent up to now is 237.0 secs Computing kpt #: 171 total cpu time spent up to now is 238.4 secs Computing kpt #: 172 total cpu time spent up to now is 239.8 secs Computing kpt #: 173 total cpu time spent up to now is 241.2 secs Computing kpt #: 174 total cpu time spent up to now is 242.6 secs Computing kpt #: 175 total cpu time spent up to now is 244.1 secs Computing kpt #: 176 total cpu time spent up to now is 245.5 secs Computing kpt #: 177 total cpu time spent up to now is 247.0 secs Computing kpt #: 178 total cpu time spent up to now is 248.5 secs Computing kpt #: 179 total cpu time spent up to now is 250.0 secs Computing kpt #: 180 total cpu time spent up to now is 251.5 secs Computing kpt #: 181 total cpu time spent up to now is 252.9 secs Computing kpt #: 182 total cpu time spent up to now is 254.3 secs Computing kpt #: 183 total cpu time spent up to now is 255.8 secs Computing kpt #: 184 total cpu time spent up to now is 257.4 secs Computing kpt #: 185 total cpu time spent up to now is 258.9 secs Computing kpt #: 186 total cpu time spent up to now is 260.4 secs Computing kpt #: 187 total cpu time spent up to now is 261.9 secs Computing kpt #: 188 total cpu time spent up to now is 263.3 secs Computing kpt #: 189 total cpu time spent up to now is 264.7 secs Computing kpt #: 190 total cpu time spent up to now is 266.1 secs Computing kpt #: 191 total cpu time spent up to now is 267.5 secs Computing kpt #: 192 total cpu time spent up to now is 268.9 secs Computing kpt #: 193 total cpu time spent up to now is 270.3 secs Computing kpt #: 194 total cpu time spent up to now is 271.6 secs Computing kpt #: 195 total cpu time spent up to now is 273.0 secs Computing kpt #: 196 total cpu time spent up to now is 274.4 secs Computing kpt #: 197 total cpu time spent up to now is 275.8 secs Computing kpt #: 198 total cpu time spent up to now is 277.2 secs Computing kpt #: 199 total cpu time spent up to now is 278.5 secs Computing kpt #: 200 total cpu time spent up to now is 279.9 secs Computing kpt #: 201 total cpu time spent up to now is 281.3 secs Computing kpt #: 202 total cpu time spent up to now is 282.7 secs Computing kpt #: 203 total cpu time spent up to now is 284.2 secs Computing kpt #: 204 total cpu time spent up to now is 285.6 secs Computing kpt #: 205 total cpu time spent up to now is 287.3 secs Computing kpt #: 206 total cpu time spent up to now is 288.9 secs Computing kpt #: 207 total cpu time spent up to now is 290.5 secs Computing kpt #: 208 total cpu time spent up to now is 292.7 secs Computing kpt #: 209 total cpu time spent up to now is 294.8 secs Computing kpt #: 210 total cpu time spent up to now is 296.9 secs Computing kpt #: 211 total cpu time spent up to now is 299.1 secs Computing kpt #: 212 total cpu time spent up to now is 300.5 secs Computing kpt #: 213 total cpu time spent up to now is 302.0 secs Computing kpt #: 214 total cpu time spent up to now is 303.9 secs Computing kpt #: 215 total cpu time spent up to now is 305.4 secs Computing kpt #: 216 total cpu time spent up to now is 307.1 secs Computing kpt #: 217 total cpu time spent up to now is 308.6 secs Computing kpt #: 218 total cpu time spent up to now is 310.4 secs Computing kpt #: 219 total cpu time spent up to now is 312.2 secs Computing kpt #: 220 total cpu time spent up to now is 314.0 secs Computing kpt #: 221 total cpu time spent up to now is 316.2 secs Computing kpt #: 222 total cpu time spent up to now is 317.7 secs Computing kpt #: 223 total cpu time spent up to now is 319.4 secs Computing kpt #: 224 total cpu time spent up to now is 321.0 secs Computing kpt #: 225 total cpu time spent up to now is 322.6 secs Computing kpt #: 226 total cpu time spent up to now is 324.8 secs Computing kpt #: 227 total cpu time spent up to now is 326.3 secs Computing kpt #: 228 total cpu time spent up to now is 328.0 secs Computing kpt #: 229 total cpu time spent up to now is 329.6 secs Computing kpt #: 230 total cpu time spent up to now is 331.2 secs Computing kpt #: 231 total cpu time spent up to now is 332.7 secs Computing kpt #: 232 total cpu time spent up to now is 334.1 secs Computing kpt #: 233 total cpu time spent up to now is 335.6 secs Computing kpt #: 234 total cpu time spent up to now is 337.0 secs Computing kpt #: 235 total cpu time spent up to now is 338.5 secs Computing kpt #: 236 total cpu time spent up to now is 339.9 secs Computing kpt #: 237 total cpu time spent up to now is 341.3 secs Computing kpt #: 238 total cpu time spent up to now is 342.8 secs Computing kpt #: 239 total cpu time spent up to now is 344.2 secs Computing kpt #: 240 total cpu time spent up to now is 345.7 secs Computing kpt #: 241 total cpu time spent up to now is 347.2 secs Computing kpt #: 242 total cpu time spent up to now is 348.6 secs Computing kpt #: 243 total cpu time spent up to now is 350.1 secs Computing kpt #: 244 total cpu time spent up to now is 351.5 secs Computing kpt #: 245 total cpu time spent up to now is 353.0 secs Computing kpt #: 246 total cpu time spent up to now is 354.4 secs Computing kpt #: 247 total cpu time spent up to now is 355.9 secs Computing kpt #: 248 total cpu time spent up to now is 357.4 secs Computing kpt #: 249 total cpu time spent up to now is 358.8 secs Computing kpt #: 250 total cpu time spent up to now is 360.3 secs Computing kpt #: 251 total cpu time spent up to now is 361.7 secs Computing kpt #: 252 total cpu time spent up to now is 363.1 secs Computing kpt #: 253 total cpu time spent up to now is 364.5 secs Computing kpt #: 254 total cpu time spent up to now is 365.9 secs Computing kpt #: 255 total cpu time spent up to now is 367.3 secs Computing kpt #: 256 total cpu time spent up to now is 368.7 secs Computing kpt #: 257 total cpu time spent up to now is 370.1 secs Computing kpt #: 258 total cpu time spent up to now is 371.4 secs Computing kpt #: 259 total cpu time spent up to now is 372.7 secs Computing kpt #: 260 total cpu time spent up to now is 374.0 secs Computing kpt #: 261 total cpu time spent up to now is 375.2 secs Computing kpt #: 262 total cpu time spent up to now is 376.4 secs Computing kpt #: 263 total cpu time spent up to now is 377.6 secs Computing kpt #: 264 total cpu time spent up to now is 378.9 secs Computing kpt #: 265 total cpu time spent up to now is 380.1 secs Computing kpt #: 266 total cpu time spent up to now is 381.3 secs Computing kpt #: 267 total cpu time spent up to now is 382.5 secs Computing kpt #: 268 total cpu time spent up to now is 383.8 secs Computing kpt #: 269 total cpu time spent up to now is 385.0 secs Computing kpt #: 270 total cpu time spent up to now is 386.3 secs Computing kpt #: 271 total cpu time spent up to now is 387.6 secs Computing kpt #: 272 total cpu time spent up to now is 388.9 secs Computing kpt #: 273 total cpu time spent up to now is 390.2 secs Computing kpt #: 274 total cpu time spent up to now is 391.6 secs Computing kpt #: 275 total cpu time spent up to now is 393.0 secs Computing kpt #: 276 total cpu time spent up to now is 394.4 secs Computing kpt #: 277 total cpu time spent up to now is 395.9 secs Computing kpt #: 278 total cpu time spent up to now is 397.4 secs Computing kpt #: 279 total cpu time spent up to now is 398.9 secs Computing kpt #: 280 total cpu time spent up to now is 400.3 secs Computing kpt #: 281 total cpu time spent up to now is 401.8 secs Computing kpt #: 282 total cpu time spent up to now is 403.2 secs Computing kpt #: 283 total cpu time spent up to now is 404.6 secs Computing kpt #: 284 total cpu time spent up to now is 405.9 secs Computing kpt #: 285 total cpu time spent up to now is 407.2 secs Computing kpt #: 286 total cpu time spent up to now is 408.4 secs Computing kpt #: 287 total cpu time spent up to now is 409.6 secs Computing kpt #: 288 total cpu time spent up to now is 411.0 secs Computing kpt #: 289 total cpu time spent up to now is 412.4 secs Computing kpt #: 290 total cpu time spent up to now is 413.8 secs Computing kpt #: 291 total cpu time spent up to now is 415.3 secs Computing kpt #: 292 total cpu time spent up to now is 416.7 secs Computing kpt #: 293 total cpu time spent up to now is 418.2 secs Computing kpt #: 294 total cpu time spent up to now is 419.7 secs Computing kpt #: 295 total cpu time spent up to now is 421.2 secs Computing kpt #: 296 total cpu time spent up to now is 422.7 secs Computing kpt #: 297 total cpu time spent up to now is 424.3 secs Computing kpt #: 298 total cpu time spent up to now is 426.0 secs Computing kpt #: 299 total cpu time spent up to now is 427.5 secs Computing kpt #: 300 total cpu time spent up to now is 429.0 secs Computing kpt #: 301 total cpu time spent up to now is 430.4 secs Computing kpt #: 302 total cpu time spent up to now is 431.9 secs Computing kpt #: 303 total cpu time spent up to now is 433.4 secs Computing kpt #: 304 total cpu time spent up to now is 434.8 secs Computing kpt #: 305 total cpu time spent up to now is 436.2 secs Computing kpt #: 306 total cpu time spent up to now is 437.8 secs Computing kpt #: 307 total cpu time spent up to now is 439.2 secs Computing kpt #: 308 total cpu time spent up to now is 440.5 secs ethr = 1.47E-08, avg # of iterations = 25.1 total cpu time spent up to now is 440.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): 3.6361 3.6361 5.6817 5.6817 9.0511 9.0511 9.8984 9.8984 9.9416 9.9416 9.9773 9.9773 10.1989 10.1989 10.2654 10.2654 10.4159 10.4159 10.4599 10.4599 11.2799 11.2799 11.4095 11.4095 11.5206 11.5206 11.9241 11.9241 12.2127 12.2127 12.5298 12.5298 12.5464 12.5464 12.8077 12.8077 13.2499 13.2499 13.3066 13.3066 13.3816 13.3816 13.3894 13.3894 13.6170 13.6170 13.7752 13.7752 13.7910 13.7910 13.9739 13.9739 14.0638 14.0638 14.5285 14.5285 14.5877 14.5877 15.0782 15.0782 15.3675 15.3675 15.4456 15.4456 15.6354 15.6354 16.2674 16.2674 16.5370 16.5370 16.7140 16.7140 17.2355 17.2355 17.2927 17.2927 17.7892 17.7892 18.0591 18.0591 19.8587 19.8587 k = 0.0000 0.0000 0.0174 ( 3593 PWs) bands (ev): 3.6376 3.6376 5.6823 5.6823 9.0520 9.0520 9.8953 9.8953 9.9390 9.9390 9.9751 9.9751 10.2035 10.2035 10.2665 10.2665 10.4175 10.4175 10.4602 10.4602 11.2733 11.2733 11.4080 11.4080 11.5259 11.5259 11.9226 11.9226 12.2097 12.2097 12.5194 12.5194 12.5531 12.5531 12.8052 12.8052 13.2389 13.2389 13.3118 13.3118 13.3801 13.3801 13.3883 13.3883 13.6198 13.6198 13.7742 13.7742 13.7933 13.7933 13.9706 13.9706 14.0716 14.0716 14.5317 14.5317 14.5899 14.5899 15.0774 15.0774 15.3648 15.3648 15.4485 15.4485 15.6324 15.6324 16.2704 16.2704 16.5393 16.5393 16.7177 16.7177 17.2336 17.2336 17.2884 17.2884 17.7824 17.7824 18.0716 18.0716 19.8631 19.8631 k = 0.0000 0.0000 0.0348 ( 3589 PWs) bands (ev): 3.6424 3.6424 5.6841 5.6841 9.0545 9.0545 9.8850 9.8850 9.9313 9.9313 9.9716 9.9716 10.2136 10.2136 10.2716 10.2716 10.4215 10.4215 10.4619 10.4619 11.2550 11.2550 11.4045 11.4045 11.5398 11.5398 11.9184 11.9184 12.2011 12.2011 12.4997 12.4997 12.5614 12.5614 12.7978 12.7978 13.2156 13.2156 13.3144 13.3144 13.3773 13.3773 13.3877 13.3877 13.6276 13.6276 13.7722 13.7722 13.7999 13.7999 13.9611 13.9611 14.0938 14.0938 14.5404 14.5404 14.5971 14.5971 15.0749 15.0749 15.3570 15.3570 15.4569 15.4569 15.6235 15.6235 16.2794 16.2794 16.5462 16.5462 16.7284 16.7284 17.2244 17.2244 17.2818 17.2818 17.7595 17.7595 18.1095 18.1095 19.8756 19.8756 k = 0.0000 0.0000 0.0523 ( 3589 PWs) bands (ev): 3.6502 3.6502 5.6871 5.6871 9.0586 9.0586 9.8663 9.8663 9.9189 9.9189 9.9716 9.9716 10.2201 10.2201 10.2856 10.2856 10.4254 10.4254 10.4672 10.4672 11.2280 11.2280 11.3999 11.3999 11.5577 11.5577 11.9120 11.9120 12.1878 12.1878 12.4744 12.4744 12.5667 12.5667 12.7856 12.7856 13.1893 13.1893 13.3002 13.3002 13.3736 13.3736 13.3949 13.3949 13.6378 13.6378 13.7716 13.7716 13.8113 13.8113 13.9469 13.9469 14.1271 14.1271 14.5520 14.5520 14.6101 14.6101 15.0712 15.0712 15.3448 15.3448 15.4701 15.4701 15.6088 15.6088 16.2944 16.2944 16.5578 16.5578 16.7449 16.7449 17.2042 17.2042 17.2833 17.2833 17.7179 17.7179 18.1710 18.1710 19.8946 19.8946 k = 0.0000 0.0000 0.0697 ( 3609 PWs) bands (ev): 3.6612 3.6612 5.6913 5.6913 9.0642 9.0642 9.8407 9.8407 9.9028 9.9028 9.9765 9.9765 10.2181 10.2181 10.3098 10.3098 10.4264 10.4264 10.4787 10.4787 11.1951 11.1951 11.3947 11.3947 11.5759 11.5759 11.9043 11.9043 12.1711 12.1711 12.4431 12.4431 12.5687 12.5687 12.7682 12.7682 13.1633 13.1633 13.2711 13.2711 13.3680 13.3680 13.4103 13.4103 13.6458 13.6458 13.7751 13.7751 13.8278 13.8278 13.9302 13.9302 14.1680 14.1680 14.5629 14.5629 14.6301 14.6301 15.0666 15.0666 15.3289 15.3289 15.4875 15.4875 15.5890 15.5890 16.3148 16.3148 16.5746 16.5746 16.7654 16.7654 17.1794 17.1794 17.2933 17.2933 17.6590 17.6590 18.2509 18.2509 19.9183 19.9183 k = 0.0000 0.0000 0.0871 ( 3605 PWs) bands (ev): 3.6752 3.6752 5.6967 5.6967 9.0711 9.0711 9.8108 9.8108 9.8840 9.8840 9.9858 9.9858 10.2093 10.2093 10.3396 10.3396 10.4239 10.4239 10.4963 10.4963 11.1584 11.1584 11.3891 11.3891 11.5915 11.5915 11.8965 11.8965 12.1523 12.1523 12.4058 12.4058 12.5677 12.5677 12.7447 12.7447 13.1384 13.1384 13.2344 13.2344 13.3627 13.3627 13.4277 13.4277 13.6486 13.6486 13.7832 13.7832 13.8473 13.8473 13.9159 13.9159 14.2135 14.2135 14.5703 14.5703 14.6575 14.6575 15.0616 15.0616 15.3094 15.3094 15.5071 15.5071 15.5666 15.5666 16.3389 16.3389 16.5976 16.5976 16.7879 16.7879 17.1583 17.1583 17.3092 17.3092 17.5873 17.5873 18.3430 18.3430 19.9452 19.9452 k = 0.0000 0.0000 0.1045 ( 3609 PWs) bands (ev): 3.6924 3.6924 5.7032 5.7032 9.0791 9.0791 9.7790 9.7790 9.8629 9.8629 9.9988 9.9988 10.1954 10.1954 10.3708 10.3708 10.4199 10.4199 10.5185 10.5185 11.1193 11.1193 11.3831 11.3831 11.6027 11.6027 11.8897 11.8897 12.1329 12.1329 12.3629 12.3629 12.5635 12.5635 12.7145 12.7145 13.1123 13.1123 13.1971 13.1971 13.3594 13.3594 13.4427 13.4427 13.6483 13.6483 13.7939 13.7939 13.8571 13.8571 13.9180 13.9180 14.2611 14.2611 14.5730 14.5730 14.6909 14.6909 15.0570 15.0570 15.2865 15.2865 15.5151 15.5151 15.5570 15.5570 16.3640 16.3640 16.6273 16.6273 16.8109 16.8109 17.1457 17.1457 17.3282 17.3282 17.5091 17.5091 18.4421 18.4421 19.9742 19.9742 k = 0.0000 0.0000 0.1219 ( 3613 PWs) bands (ev): 3.7126 3.7126 5.7109 5.7109 9.0877 9.0877 9.7465 9.7465 9.8401 9.8401 10.0151 10.0151 10.1770 10.1770 10.3949 10.3949 10.4219 10.4219 10.5438 10.5438 11.0786 11.0786 11.3770 11.3770 11.6082 11.6082 11.8844 11.8844 12.1141 12.1141 12.3154 12.3154 12.5555 12.5555 12.6786 12.6786 13.0801 13.0801 13.1658 13.1658 13.3590 13.3590 13.4513 13.4513 13.6500 13.6500 13.8053 13.8053 13.8475 13.8475 13.9454 13.9454 14.3093 14.3093 14.5705 14.5705 14.7284 14.7284 15.0531 15.0531 15.2602 15.2602 15.4930 15.4930 15.5801 15.5801 16.3871 16.3871 16.6624 16.6624 16.8349 16.8349 17.1436 17.1436 17.3396 17.3396 17.4401 17.4401 18.5443 18.5443 20.0051 20.0051 k = 0.0000 0.0000 0.1394 ( 3613 PWs) bands (ev): 3.7359 3.7359 5.7197 5.7197 9.0968 9.0968 9.7145 9.7145 9.8159 9.8159 10.0343 10.0343 10.1544 10.1544 10.3950 10.3950 10.4460 10.4460 10.5711 10.5711 11.0369 11.0369 11.3709 11.3709 11.6081 11.6081 11.8805 11.8805 12.0969 12.0969 12.2646 12.2646 12.5406 12.5406 12.6407 12.6407 13.0395 13.0395 13.1435 13.1435 13.3612 13.3612 13.4514 13.4514 13.6579 13.6579 13.8164 13.8164 13.8323 13.8323 13.9831 13.9831 14.3568 14.3568 14.5625 14.5625 14.7685 14.7685 15.0506 15.0506 15.2304 15.2304 15.4635 15.4635 15.6149 15.6149 16.4058 16.4058 16.6979 16.6979 16.8646 16.8646 17.1485 17.1485 17.3046 17.3046 17.4275 17.4275 18.6461 18.6461 20.0382 20.0382 k = 0.0000 0.0000 0.1568 ( 3605 PWs) bands (ev): 3.7621 3.7621 5.7295 5.7295 9.1056 9.1056 9.6835 9.6835 9.7909 9.7909 10.0564 10.0564 10.1276 10.1276 10.3864 10.3864 10.4769 10.4769 10.5994 10.5994 10.9946 10.9946 11.3651 11.3651 11.6030 11.6030 11.8772 11.8772 12.0820 12.0820 12.2119 12.2119 12.5125 12.5125 12.6086 12.6086 12.9934 12.9934 13.1274 13.1274 13.3636 13.3636 13.4445 13.4445 13.6732 13.6732 13.8176 13.8176 13.8277 13.8277 14.0234 14.0234 14.4027 14.4027 14.5490 14.5490 14.8095 14.8095 15.0496 15.0496 15.1973 15.1973 15.4344 15.4344 15.6549 15.6549 16.4186 16.4186 16.7254 16.7254 16.9063 16.9063 17.1419 17.1419 17.2591 17.2591 17.4583 17.4583 18.7442 18.7442 20.0739 20.0739 k = 0.0000 0.0000 0.1742 ( 3603 PWs) bands (ev): 3.7914 3.7914 5.7404 5.7404 9.1137 9.1137 9.6541 9.6541 9.7652 9.7652 10.0805 10.0805 10.0974 10.0974 10.3757 10.3757 10.5077 10.5077 10.6279 10.6279 10.9521 10.9521 11.3597 11.3597 11.5944 11.5944 11.8735 11.8735 12.0690 12.0690 12.1588 12.1588 12.4675 12.4675 12.5873 12.5873 12.9455 12.9455 13.1143 13.1143 13.3609 13.3609 13.4364 13.4364 13.6938 13.6938 13.8076 13.8076 13.8377 13.8377 14.0634 14.0634 14.4460 14.4460 14.5305 14.5305 14.8497 14.8497 15.0494 15.0494 15.1622 15.1622 15.4079 15.4079 15.6988 15.6988 16.4238 16.4238 16.7400 16.7400 16.9560 16.9560 17.1048 17.1048 17.2637 17.2637 17.5021 17.5021 18.8355 18.8355 20.1128 20.1128 k = 0.0000 0.0000 0.1916 ( 3603 PWs) bands (ev): 3.8235 3.8235 5.7523 5.7523 9.1204 9.1204 9.6266 9.6266 9.7393 9.7393 10.0616 10.0616 10.1092 10.1092 10.3639 10.3639 10.5373 10.5373 10.6555 10.6555 10.9097 10.9097 11.3549 11.3549 11.5841 11.5841 11.8687 11.8687 12.0550 12.0550 12.1088 12.1088 12.4109 12.4109 12.5729 12.5729 12.8983 12.8983 13.1027 13.1027 13.3481 13.3481 13.4334 13.4334 13.7169 13.7169 13.8029 13.8029 13.8473 13.8473 14.1017 14.1017 14.4814 14.4814 14.5129 14.5129 14.8866 14.8866 15.0475 15.0475 15.1292 15.1292 15.3851 15.3851 15.7456 15.7456 16.4193 16.4193 16.7431 16.7431 16.9701 16.9701 17.1055 17.1055 17.3007 17.3007 17.5531 17.5531 18.9172 18.9172 20.1559 20.1559 k = 0.0000 0.0000 0.2090 ( 3597 PWs) bands (ev): 3.8585 3.8585 5.7652 5.7652 9.1249 9.1249 9.6009 9.6009 9.7133 9.7133 10.0240 10.0240 10.1391 10.1391 10.3511 10.3511 10.5651 10.5651 10.6814 10.6814 10.8681 10.8681 11.3507 11.3507 11.5737 11.5737 11.8628 11.8628 12.0280 12.0280 12.0730 12.0730 12.3490 12.3490 12.5608 12.5608 12.8535 12.8535 13.0916 13.0916 13.3263 13.3263 13.4349 13.4349 13.7405 13.7405 13.8052 13.8052 13.8563 13.8563 14.1373 14.1373 14.4711 14.4711 14.5346 14.5346 14.9153 14.9153 15.0374 15.0374 15.1086 15.1086 15.3661 15.3661 15.7945 15.7945 16.4014 16.4014 16.7377 16.7377 16.9366 16.9366 17.1753 17.1753 17.3529 17.3529 17.6099 17.6099 18.9864 18.9864 20.2041 20.2041 k = 0.0000 0.0000 0.2265 ( 3589 PWs) bands (ev): 3.8963 3.8963 5.7789 5.7789 9.1266 9.1266 9.5768 9.5768 9.6874 9.6874 9.9842 9.9842 10.1716 10.1716 10.3378 10.3378 10.5908 10.5908 10.7040 10.7040 10.8285 10.8285 11.3471 11.3471 11.5647 11.5647 11.8562 11.8562 11.9825 11.9825 12.0553 12.0553 12.2860 12.2860 12.5481 12.5481 12.8124 12.8124 13.0806 13.0806 13.3005 13.3005 13.4366 13.4366 13.7630 13.7630 13.8145 13.8145 13.8646 13.8646 14.1697 14.1697 14.4410 14.4410 14.5705 14.5705 14.9242 14.9242 15.0234 15.0234 15.1072 15.1072 15.3508 15.3508 15.8446 15.8446 16.3667 16.3667 16.7285 16.7285 16.9070 16.9070 17.2656 17.2656 17.4174 17.4174 17.6716 17.6716 19.0408 19.0408 20.2583 20.2583 k = 0.0000 0.0000 0.2439 ( 3585 PWs) bands (ev): 3.9369 3.9369 5.7935 5.7935 9.1249 9.1249 9.5535 9.5535 9.6614 9.6614 9.9438 9.9438 10.2063 10.2063 10.3241 10.3241 10.6139 10.6139 10.7189 10.7189 10.7954 10.7954 11.3437 11.3437 11.5581 11.5581 11.8492 11.8492 11.9325 11.9325 12.0392 12.0392 12.2257 12.2257 12.5335 12.5335 12.7764 12.7764 13.0686 13.0686 13.2747 13.2747 13.4361 13.4361 13.7844 13.7844 13.8296 13.8296 13.8726 13.8726 14.1986 14.1986 14.4075 14.4075 14.6052 14.6052 14.9013 14.9013 15.0239 15.0239 15.1176 15.1176 15.3388 15.3388 15.8950 15.8950 16.3152 16.3152 16.7219 16.7219 16.8912 16.8912 17.3599 17.3599 17.4953 17.4953 17.7378 17.7378 19.0788 19.0788 20.3192 20.3192 k = 0.0000 0.0000 0.2613 ( 3593 PWs) bands (ev): 3.9801 3.9801 5.8088 5.8088 9.1194 9.1194 9.5295 9.5295 9.6345 9.6345 9.9053 9.9053 10.2426 10.2426 10.3108 10.3108 10.6336 10.6336 10.7128 10.7128 10.7827 10.7827 11.3401 11.3401 11.5550 11.5550 11.8407 11.8407 11.8846 11.8846 12.0165 12.0165 12.1729 12.1729 12.5159 12.5159 12.7465 12.7465 13.0545 13.0545 13.2517 13.2517 13.4330 13.4330 13.8050 13.8050 13.8472 13.8472 13.8810 13.8810 14.2236 14.2236 14.3726 14.3726 14.6372 14.6372 14.8589 14.8589 15.0318 15.0318 15.1340 15.1340 15.3296 15.3296 15.9449 15.9449 16.2515 16.2515 16.7222 16.7222 16.8858 16.8858 17.4522 17.4522 17.5883 17.5883 17.8082 17.8082 19.0997 19.0997 20.3872 20.3872 k = 0.0000 0.0000 0.2787 ( 3593 PWs) bands (ev): 4.0259 4.0259 5.8249 5.8249 9.1102 9.1102 9.5032 9.5032 9.6052 9.6052 9.8721 9.8721 10.2741 10.2741 10.3043 10.3043 10.6462 10.6462 10.6879 10.6879 10.7918 10.7918 11.3360 11.3360 11.5553 11.5553 11.8174 11.8174 11.8535 11.8535 11.9830 11.9830 12.1315 12.1315 12.4953 12.4953 12.7230 12.7230 13.0369 13.0369 13.2336 13.2336 13.4279 13.4279 13.8245 13.8245 13.8619 13.8619 13.8933 13.8933 14.2445 14.2445 14.3374 14.3374 14.6653 14.6653 14.8107 14.8107 15.0360 15.0360 15.1534 15.1534 15.3229 15.3229 15.9935 15.9935 16.1824 16.1824 16.7297 16.7297 16.8865 16.8865 17.5417 17.5417 17.6948 17.6948 17.8825 17.8825 19.1042 19.1042 20.4625 20.4625 k = 0.0000 0.0000 0.2962 ( 3597 PWs) bands (ev): 4.0742 4.0742 5.8416 5.8416 9.0973 9.0973 9.4723 9.4723 9.5723 9.5723 9.8477 9.8477 10.2730 10.2730 10.3324 10.3324 10.6330 10.6330 10.6793 10.6793 10.8068 10.8068 11.3310 11.3310 11.5582 11.5582 11.7732 11.7732 11.8463 11.8463 11.9406 11.9406 12.1010 12.1010 12.4721 12.4721 12.7055 12.7055 13.0151 13.0151 13.2211 13.2211 13.4221 13.4221 13.8413 13.8413 13.8698 13.8698 13.9130 13.9130 14.2606 14.2606 14.3035 14.3035 14.6844 14.6844 14.7663 14.7663 15.0322 15.0322 15.1740 15.1740 15.3185 15.3185 16.0398 16.0398 16.1146 16.1146 16.7431 16.7431 16.8908 16.8908 17.6308 17.6308 17.8107 17.8107 17.9612 17.9612 19.0937 19.0937 20.5450 20.5450 k = 0.0000 0.0000 0.3136 ( 3595 PWs) bands (ev): 4.1249 4.1249 5.8588 5.8588 9.0812 9.0812 9.4341 9.4341 9.5362 9.5362 9.8340 9.8340 10.2594 10.2594 10.3750 10.3750 10.5988 10.5988 10.6878 10.6878 10.8225 10.8225 11.3249 11.3249 11.5603 11.5603 11.7282 11.7282 11.8454 11.8454 11.8952 11.8952 12.0767 12.0767 12.4476 12.4476 12.6933 12.6933 12.9894 12.9894 13.2135 13.2135 13.4172 13.4172 13.8522 13.8522 13.8745 13.8745 13.9373 13.9373 14.2606 14.2606 14.2829 14.2829 14.6734 14.6734 14.7488 14.7488 15.0183 15.0183 15.1943 15.1943 15.3168 15.3168 16.0488 16.0488 16.0871 16.0871 16.7611 16.7611 16.8971 16.8971 17.7220 17.7220 17.9309 17.9309 18.0456 18.0456 19.0704 19.0704 20.6345 20.6345 k = 0.0000 0.0000 0.3310 ( 3593 PWs) bands (ev): 4.1779 4.1779 5.8765 5.8765 9.0622 9.0622 9.3861 9.3861 9.4997 9.4997 9.8305 9.8305 10.2444 10.2444 10.4208 10.4208 10.5618 10.5618 10.6974 10.6974 10.8377 10.8377 11.3175 11.3175 11.5539 11.5539 11.6929 11.6929 11.8444 11.8444 11.8553 11.8553 12.0548 12.0548 12.4228 12.4228 12.6854 12.6854 12.9608 12.9608 13.2087 13.2087 13.4147 13.4147 13.8525 13.8525 13.8821 13.8821 13.9630 13.9630 14.2320 14.2320 14.2888 14.2888 14.6315 14.6315 14.7600 14.7600 14.9932 14.9932 15.2127 15.2127 15.3189 15.3189 15.9964 15.9964 16.1271 16.1271 16.7823 16.7823 16.9047 16.9047 17.8164 17.8164 18.0493 18.0493 18.1391 18.1391 19.0368 19.0368 20.7307 20.7307 k = 0.0000 0.0000 0.3484 ( 3589 PWs) bands (ev): 4.2330 4.2330 5.8946 5.8946 9.0406 9.0406 9.3277 9.3277 9.4654 9.4654 9.8351 9.8351 10.2291 10.2291 10.4683 10.4683 10.5252 10.5252 10.7067 10.7067 10.8518 10.8518 11.3083 11.3083 11.5282 11.5282 11.6780 11.6780 11.8120 11.8120 11.8544 11.8544 12.0332 12.0332 12.3990 12.3990 12.6808 12.6808 12.9303 12.9303 13.2047 13.2047 13.4158 13.4158 13.8441 13.8441 13.8914 13.8914 13.9877 13.9877 14.2014 14.2014 14.2950 14.2950 14.5838 14.5838 14.7755 14.7755 14.9570 14.9570 15.2267 15.2267 15.3269 15.3269 15.9531 15.9531 16.1651 16.1651 16.8058 16.8058 16.9129 16.9129 17.9145 17.9145 18.1584 18.1584 18.2476 18.2476 18.9957 18.9957 20.8336 20.8336 k = 0.0000 0.0000 0.3658 ( 3581 PWs) bands (ev): 4.2901 4.2901 5.9130 5.9130 9.0161 9.0161 9.2611 9.2611 9.4338 9.4338 9.8454 9.8454 10.2140 10.2140 10.4864 10.4864 10.5203 10.5203 10.7164 10.7164 10.8646 10.8646 11.2964 11.2964 11.4857 11.4857 11.6823 11.6823 11.7794 11.7794 11.8618 11.8618 12.0115 12.0115 12.3769 12.3769 12.6791 12.6791 12.8991 12.8991 13.1997 13.1997 13.4211 13.4211 13.8298 13.8298 13.8996 13.8996 14.0094 14.0094 14.1723 14.1723 14.2988 14.2988 14.5374 14.5374 14.7877 14.7877 14.9123 14.9123 15.2346 15.2346 15.3427 15.3427 15.9201 15.9201 16.2000 16.2000 16.8306 16.8306 16.9216 16.9216 18.0162 18.0162 18.2574 18.2574 18.3698 18.3698 18.9505 18.9505 20.9430 20.9430 k = 0.0000 0.0000 0.3833 ( 3585 PWs) bands (ev): 4.3490 4.3490 5.9316 5.9316 8.9877 8.9877 9.1902 9.1902 9.4042 9.4042 9.8593 9.8593 10.1990 10.1990 10.4525 10.4525 10.5691 10.5691 10.7280 10.7280 10.8757 10.8757 11.2792 11.2792 11.4388 11.4388 11.6957 11.6957 11.7524 11.7524 11.8718 11.8718 11.9896 11.9896 12.3571 12.3571 12.6797 12.6797 12.8677 12.8677 13.1928 13.1928 13.4305 13.4305 13.8107 13.8107 13.9061 13.9061 14.0259 14.0259 14.1452 14.1452 14.3004 14.3004 14.4947 14.4947 14.7887 14.7887 14.8680 14.8680 15.2367 15.2367 15.3657 15.3657 15.8964 15.8964 16.2315 16.2315 16.8558 16.8558 16.9306 16.9306 18.1211 18.1211 18.3522 18.3522 18.4962 18.4962 18.9062 18.9062 21.0590 21.0590 k = 0.0000 0.0000 0.4007 ( 3585 PWs) bands (ev): 4.4096 4.4096 5.9502 5.9502 8.9529 8.9529 9.1201 9.1201 9.3761 9.3761 9.8748 9.8748 10.1845 10.1845 10.4191 10.4191 10.6177 10.6177 10.7438 10.7438 10.8849 10.8849 11.2526 11.2526 11.3980 11.3980 11.7113 11.7113 11.7311 11.7311 11.8841 11.8841 11.9682 11.9682 12.3399 12.3399 12.6825 12.6825 12.8369 12.8369 13.1840 13.1840 13.4426 13.4426 13.7873 13.7873 13.9107 13.9107 14.0344 14.0344 14.1202 14.1202 14.3005 14.3005 14.4574 14.4574 14.7583 14.7583 14.8468 14.8468 15.2350 15.2350 15.3938 15.3938 15.8804 15.8804 16.2599 16.2599 16.8799 16.8799 16.9404 16.9404 18.2284 18.2284 18.4461 18.4461 18.6121 18.6121 18.8761 18.8761 21.1813 21.1813 k = 0.0000 0.0000 0.4181 ( 3585 PWs) bands (ev): 4.4716 4.4716 5.9688 5.9688 8.9063 8.9063 9.0580 9.0580 9.3494 9.3494 9.8908 9.8908 10.1704 10.1704 10.3874 10.3874 10.6620 10.6620 10.7674 10.7674 10.8919 10.8919 11.2135 11.2135 11.3698 11.3698 11.7108 11.7108 11.7298 11.7298 11.8983 11.8983 11.9484 11.9484 12.3257 12.3257 12.6869 12.6869 12.8069 12.8069 13.1738 13.1738 13.4554 13.4554 13.7608 13.7608 13.9133 13.9133 14.0327 14.0327 14.0976 14.0976 14.2999 14.2999 14.4268 14.4268 14.7022 14.7022 14.8468 14.8468 15.2308 15.2308 15.4253 15.4253 15.8702 15.8702 16.2852 16.2852 16.9011 16.9011 16.9522 16.9522 18.3368 18.3368 18.5380 18.5380 18.6803 18.6803 18.9003 18.9003 21.3099 21.3099 k = 0.0000 0.0000 0.4355 ( 3565 PWs) bands (ev): 4.5348 4.5348 5.9873 5.9873 8.8437 8.8437 9.0095 9.0095 9.3237 9.3237 9.9062 9.9062 10.1568 10.1568 10.3577 10.3577 10.6978 10.6978 10.8030 10.8030 10.8962 10.8962 11.1649 11.1649 11.3534 11.3534 11.6980 11.6980 11.7418 11.7418 11.9119 11.9119 11.9335 11.9335 12.3146 12.3146 12.6925 12.6925 12.7785 12.7785 13.1628 13.1628 13.4661 13.4661 13.7323 13.7323 13.9140 13.9140 14.0204 14.0204 14.0759 14.0759 14.2988 14.2988 14.4039 14.4039 14.6407 14.6407 14.8509 14.8509 15.2252 15.2252 15.4587 15.4587 15.8642 15.8642 16.3077 16.3077 16.9174 16.9174 16.9673 16.9673 18.4439 18.4439 18.6060 18.6060 18.7030 18.7030 19.0011 19.0011 21.4444 21.4444 k = 0.0000 0.0000 0.4529 ( 3569 PWs) bands (ev): 4.5988 4.5988 6.0056 6.0056 8.7676 8.7676 8.9735 8.9735 9.2992 9.2992 9.9202 9.9202 10.1438 10.1438 10.3302 10.3302 10.7250 10.7250 10.8505 10.8505 10.8972 10.8972 11.1133 11.1133 11.3449 11.3449 11.6880 11.6880 11.7496 11.7496 11.9096 11.9096 11.9397 11.9397 12.3066 12.3066 12.6971 12.6971 12.7537 12.7537 13.1516 13.1516 13.4709 13.4709 13.7038 13.7038 13.9130 13.9130 13.9998 13.9998 14.0532 14.0532 14.2961 14.2961 14.3887 14.3887 14.5821 14.5821 14.8548 14.8548 15.2187 15.2187 15.4933 15.4933 15.8611 15.8611 16.3277 16.3277 16.9279 16.9279 16.9859 16.9859 18.5358 18.5358 18.6101 18.6101 18.7793 18.7793 19.1333 19.1333 21.5842 21.5842 k = 0.0000 0.0000 0.4704 ( 3573 PWs) bands (ev): 4.6634 4.6634 6.0234 6.0234 8.6837 8.6837 8.9453 8.9453 9.2759 9.2759 9.9324 9.9324 10.1313 10.1313 10.3053 10.3053 10.7465 10.7465 10.8930 10.8930 10.9058 10.9058 11.0647 11.0647 11.3414 11.3414 11.6808 11.6808 11.7519 11.7519 11.8998 11.8998 11.9591 11.9591 12.3018 12.3018 12.6936 12.6936 12.7395 12.7395 13.1408 13.1408 13.4656 13.4656 13.6777 13.6777 13.9104 13.9104 13.9732 13.9732 14.0296 14.0296 14.2894 14.2894 14.3804 14.3804 14.5316 14.5316 14.8575 14.8575 15.2116 15.2116 15.5282 15.5282 15.8599 15.8599 16.3453 16.3453 16.9343 16.9343 17.0062 17.0062 18.5323 18.5323 18.6760 18.6760 18.8856 18.8856 19.2750 19.2750 21.7276 21.7276 k = 0.0000 0.0000 0.4878 ( 3571 PWs) bands (ev): 4.7282 4.7282 6.0407 6.0407 8.5963 8.5963 8.9215 8.9215 9.2538 9.2538 9.9426 9.9426 10.1192 10.1192 10.2832 10.2832 10.7633 10.7633 10.8827 10.8827 10.9645 10.9645 11.0255 11.0255 11.3417 11.3417 11.6760 11.6760 11.7486 11.7486 11.8927 11.8927 11.9811 11.9811 12.2998 12.2998 12.6755 12.6755 12.7421 12.7421 13.1309 13.1309 13.4466 13.4466 13.6557 13.6557 13.9047 13.9047 13.9444 13.9444 14.0070 14.0070 14.2767 14.2767 14.3761 14.3761 14.4938 14.4938 14.8585 14.8585 15.2041 15.2041 15.5631 15.5631 15.8600 15.8600 16.3608 16.3608 16.9377 16.9377 17.0266 17.0266 18.4873 18.4873 18.7751 18.7751 19.0019 19.0019 19.4201 19.4201 21.8683 21.8683 k = 0.0000 0.0000 0.5052 ( 3579 PWs) bands (ev): 4.7928 4.7928 6.0574 6.0574 8.5080 8.5080 8.9005 8.9005 9.2329 9.2329 9.9506 9.9506 10.1076 10.1076 10.2644 10.2644 10.7706 10.7706 10.8679 10.8679 10.9965 10.9965 11.0289 11.0289 11.3451 11.3451 11.6731 11.6731 11.7414 11.7414 11.8880 11.8880 12.0045 12.0045 12.3003 12.3003 12.6507 12.6507 12.7533 12.7533 13.1220 13.1220 13.4134 13.4134 13.6362 13.6362 13.8854 13.8854 13.9264 13.9264 13.9869 13.9869 14.2574 14.2574 14.3718 14.3718 14.4725 14.4725 14.8580 14.8580 15.1966 15.1966 15.5975 15.5975 15.8608 15.8608 16.3744 16.3744 16.9392 16.9392 17.0459 17.0459 18.4392 18.4392 18.8738 18.8738 19.1249 19.1249 19.5664 19.5664 21.9901 21.9901 k = 0.0000 0.0000 0.5226 ( 3569 PWs) bands (ev): 4.8566 4.8566 6.0734 6.0734 8.4204 8.4204 8.8817 8.8817 9.2135 9.2135 9.9567 9.9567 10.0962 10.0962 10.2490 10.2490 10.7577 10.7577 10.8613 10.8613 10.9844 10.9844 11.0901 11.0901 11.3516 11.3516 11.6718 11.6718 11.7323 11.7323 11.8848 11.8848 12.0289 12.0289 12.3024 12.3024 12.6241 12.6241 12.7680 12.7680 13.1144 13.1144 13.3687 13.3687 13.6159 13.6159 13.8510 13.8510 13.9232 13.9232 13.9709 13.9709 14.2331 14.2331 14.3658 14.3658 14.4666 14.4666 14.8558 14.8558 15.1891 15.1891 15.6308 15.6308 15.8620 15.8620 16.3864 16.3864 16.9391 16.9391 17.0639 17.0639 18.3923 18.3923 18.9694 18.9694 19.2533 19.2533 19.7126 19.7126 22.0877 22.0877 k = 0.0000 0.0000 0.5400 ( 3569 PWs) bands (ev): 4.9192 4.9192 6.0884 6.0884 8.3348 8.3348 8.8647 8.8647 9.1954 9.1954 9.9610 9.9610 10.0851 10.0851 10.2374 10.2374 10.7238 10.7238 10.8677 10.8677 10.9798 10.9798 11.1521 11.1521 11.3611 11.3611 11.6710 11.6710 11.7239 11.7239 11.8822 11.8822 12.0538 12.0538 12.3055 12.3055 12.5967 12.5967 12.7846 12.7846 13.1077 13.1077 13.3164 13.3164 13.5917 13.5917 13.8139 13.8139 13.9204 13.9204 13.9630 13.9630 14.2067 14.2067 14.3594 14.3594 14.4708 14.4708 14.8521 14.8521 15.1818 15.1818 15.6628 15.6628 15.8633 15.8633 16.3968 16.3968 16.9376 16.9376 17.0802 17.0802 18.3481 18.3481 19.0612 19.0612 19.3857 19.3857 19.8574 19.8574 22.1595 22.1595 k = 0.0000 0.0000 0.5575 ( 3563 PWs) bands (ev): 4.9798 4.9798 6.1025 6.1025 8.2524 8.2524 8.8494 8.8494 9.1789 9.1789 9.9637 9.9637 10.0743 10.0743 10.2297 10.2297 10.6804 10.6804 10.8791 10.8791 10.9803 10.9803 11.2127 11.2127 11.3737 11.3737 11.6699 11.6699 11.7187 11.7187 11.8798 11.8798 12.0790 12.0790 12.3086 12.3086 12.5688 12.5688 12.8024 12.8024 13.1012 13.1012 13.2603 13.2603 13.5628 13.5628 13.7784 13.7784 13.9098 13.9098 13.9678 13.9678 14.1806 14.1806 14.3539 14.3539 14.4802 14.4802 14.8470 14.8470 15.1749 15.1749 15.6931 15.6931 15.8646 15.8646 16.4059 16.4059 16.9352 16.9352 17.0948 17.0948 18.3073 18.3073 19.1487 19.1487 19.5211 19.5211 19.9998 19.9998 22.1886 22.1886 k = 0.0000 0.0000 0.5749 ( 3563 PWs) bands (ev): 5.0377 5.0377 6.1154 6.1154 8.1742 8.1742 8.8357 8.8357 9.1639 9.1639 9.9651 9.9651 10.0640 10.0640 10.2259 10.2259 10.6343 10.6343 10.8899 10.8899 10.9843 10.9843 11.2702 11.2702 11.3890 11.3890 11.6671 11.6671 11.7192 11.7192 11.8777 11.8777 12.1041 12.1041 12.3110 12.3110 12.5402 12.5402 12.8209 12.8209 13.0921 13.0921 13.2060 13.2060 13.5302 13.5302 13.7460 13.7460 13.8941 13.8941 13.9807 13.9807 14.1566 14.1566 14.3497 14.3497 14.4920 14.4920 14.8405 14.8405 15.1686 15.1686 15.7214 15.7214 15.8659 15.8659 16.4137 16.4137 16.9320 16.9320 17.1076 17.1076 18.2702 18.2702 19.2313 19.2313 19.6585 19.6585 20.1382 20.1382 22.1612 22.1612 k = 0.0000 0.0000 0.5923 ( 3559 PWs) bands (ev): 5.0921 5.0921 6.1272 6.1272 8.1014 8.1014 8.8236 8.8236 9.1506 9.1506 9.9655 9.9655 10.0544 10.0544 10.2261 10.2261 10.5883 10.5883 10.8984 10.8984 10.9905 10.9905 11.3229 11.3229 11.4067 11.4067 11.6628 11.6628 11.7266 11.7266 11.8764 11.8764 12.1287 12.1287 12.3119 12.3119 12.5110 12.5110 12.8395 12.8395 13.0724 13.0724 13.1633 13.1633 13.4957 13.4957 13.7170 13.7170 13.8767 13.8767 13.9967 13.9967 14.1355 14.1355 14.3464 14.3464 14.5046 14.5046 14.8331 14.8331 15.1629 15.1629 15.7472 15.7472 15.8671 15.8671 16.4204 16.4204 16.9282 16.9282 17.1186 17.1186 18.2372 18.2372 19.3082 19.3082 19.7969 19.7969 20.2705 20.2705 22.0893 22.0893 k = 0.0000 0.0000 0.6097 ( 3557 PWs) bands (ev): 5.1422 5.1422 6.1375 6.1375 8.0350 8.0350 8.8130 8.8130 9.1389 9.1389 9.9651 9.9651 10.0456 10.0456 10.2299 10.2299 10.5438 10.5438 10.9045 10.9045 10.9977 10.9977 11.3686 11.3686 11.4257 11.4257 11.6583 11.6583 11.7404 11.7404 11.8767 11.8767 12.1525 12.1525 12.3108 12.3108 12.4811 12.4811 12.8571 12.8571 13.0352 13.0352 13.1419 13.1419 13.4614 13.4614 13.6914 13.6914 13.8594 13.8594 14.0132 14.0132 14.1179 14.1179 14.3438 14.3438 14.5172 14.5172 14.8249 14.8249 15.1579 15.1579 15.7702 15.7702 15.8682 15.8682 16.4261 16.4261 16.9242 16.9242 17.1280 17.1280 18.2085 18.2085 19.3784 19.3784 19.9351 19.9351 20.3942 20.3942 21.9945 21.9945 k = 0.0000 0.0000 0.6271 ( 3557 PWs) bands (ev): 5.1869 5.1869 6.1465 6.1465 7.9762 7.9762 8.8041 8.8041 9.1290 9.1290 9.9643 9.9643 10.0379 10.0379 10.2375 10.2375 10.5014 10.5014 10.9086 10.9086 11.0048 11.0048 11.4062 11.4062 11.4445 11.4445 11.6545 11.6545 11.7589 11.7589 11.8803 11.8803 12.1749 12.1749 12.3074 12.3074 12.4507 12.4507 12.8713 12.8713 12.9912 12.9912 13.1347 13.1347 13.4290 13.4290 13.6693 13.6693 13.8429 13.8429 14.0282 14.0282 14.1043 14.1043 14.3416 14.3416 14.5292 14.5292 14.8163 14.8163 15.1537 15.1537 15.7901 15.7901 15.8693 15.8693 16.4307 16.4307 16.9202 16.9202 17.1358 17.1358 18.1841 18.1841 19.4407 19.4407 20.0717 20.0717 20.5052 20.5052 21.8916 21.8916 k = 0.0000 0.0000 0.6446 ( 3565 PWs) bands (ev): 5.2252 5.2252 6.1539 6.1539 7.9261 7.9261 8.7967 8.7967 9.1208 9.1208 9.9633 9.9633 10.0316 10.0316 10.2485 10.2485 10.4616 10.4616 10.9112 10.9112 11.0110 11.0110 11.4356 11.4356 11.4612 11.4612 11.6519 11.6519 11.7789 11.7789 11.8894 11.8894 12.1950 12.1950 12.3021 12.3021 12.4202 12.4202 12.8757 12.8757 12.9573 12.9573 13.1326 13.1326 13.4002 13.4002 13.6508 13.6508 13.8282 13.8282 14.0397 14.0397 14.0954 14.0954 14.3398 14.3398 14.5402 14.5402 14.8080 14.8080 15.1503 15.1503 15.8066 15.8066 15.8705 15.8705 16.4345 16.4345 16.9165 16.9165 17.1420 17.1420 18.1641 18.1641 19.4940 19.4940 20.2049 20.2049 20.5982 20.5982 21.7905 21.7905 k = 0.0000 0.0000 0.6620 ( 3577 PWs) bands (ev): 5.2563 5.2563 6.1598 6.1598 7.8858 7.8858 8.7909 8.7909 9.1144 9.1144 9.9622 9.9622 10.0265 10.0265 10.2628 10.2628 10.4248 10.4248 10.9129 10.9129 11.0161 11.0161 11.4578 11.4578 11.4741 11.4741 11.6505 11.6505 11.7952 11.7952 11.9062 11.9062 12.2110 12.2110 12.2966 12.2966 12.3906 12.3906 12.8616 12.8616 12.9466 12.9466 13.1317 13.1317 13.3762 13.3762 13.6361 13.6361 13.8159 13.8159 14.0460 14.0460 14.0922 14.0922 14.3383 14.3383 14.5496 14.5496 14.8004 14.8004 15.1476 15.1476 15.8194 15.8194 15.8716 15.8716 16.4374 16.4374 16.9133 16.9133 17.1467 17.1467 18.1485 18.1485 19.5370 19.5370 20.3318 20.3318 20.6662 20.6662 21.6998 21.6998 k = 0.0000 0.0000 0.6794 ( 3577 PWs) bands (ev): 5.2792 5.2792 6.1640 6.1640 7.8562 7.8562 8.7868 8.7868 9.1098 9.1098 9.9612 9.9612 10.0229 10.0229 10.2802 10.2802 10.3913 10.3913 10.9139 10.9139 11.0197 11.0197 11.4736 11.4736 11.4826 11.4826 11.6499 11.6499 11.8053 11.8053 11.9283 11.9283 12.2198 12.2198 12.2952 12.2952 12.3631 12.3631 12.8396 12.8396 12.9505 12.9505 13.1310 13.1310 13.3583 13.3583 13.6254 13.6254 13.8065 13.8065 14.0475 14.0475 14.0934 14.0934 14.3372 14.3372 14.5569 14.5569 14.7944 14.7944 15.1458 15.1458 15.8284 15.8284 15.8727 15.8727 16.4394 16.4394 16.9108 16.9108 17.1500 17.1500 18.1374 18.1374 19.5687 19.5687 20.4481 20.4481 20.7014 20.7014 21.6279 21.6279 k = 0.0000 0.0000 0.6968 ( 3571 PWs) bands (ev): 5.2933 5.2933 6.1666 6.1666 7.8382 7.8382 8.7843 8.7843 9.1070 9.1070 9.9606 9.9606 10.0208 10.0208 10.2994 10.2994 10.3624 10.3624 10.9145 10.9145 11.0219 11.0219 11.4834 11.4834 11.4872 11.4872 11.6497 11.6497 11.8102 11.8102 11.9479 11.9479 12.2205 12.2205 12.3025 12.3025 12.3388 12.3388 12.8233 12.8233 12.9561 12.9561 13.1303 13.1303 13.3473 13.3473 13.6189 13.6189 13.8007 13.8007 14.0471 14.0471 14.0958 14.0958 14.3364 14.3364 14.5616 14.5616 14.7904 14.7904 15.1446 15.1446 15.8337 15.8337 15.8736 15.8736 16.4406 16.4406 16.9093 16.9093 17.1520 17.1520 18.1307 18.1307 19.5881 19.5881 20.5452 20.5452 20.7005 20.7005 21.5821 21.5821 k = 0.0000 0.0000 0.7142 ( 3570 PWs) bands (ev): 5.2980 5.2980 6.1675 6.1675 7.8321 7.8321 8.7835 8.7835 9.1061 9.1061 9.9604 9.9604 10.0200 10.0200 10.3123 10.3123 10.3463 10.3463 10.9146 10.9146 11.0226 11.0226 11.4872 11.4872 11.4880 11.4880 11.6497 11.6497 11.8116 11.8116 11.9559 11.9559 12.2192 12.2192 12.3148 12.3148 12.3213 12.3213 12.8175 12.8175 12.9584 12.9584 13.1299 13.1299 13.3436 13.3436 13.6167 13.6167 13.7987 13.7987 14.0467 14.0467 14.0968 14.0968 14.3362 14.3362 14.5632 14.5632 14.7890 14.7890 15.1443 15.1443 15.8354 15.8354 15.8740 15.8740 16.4410 16.4410 16.9087 16.9087 17.1527 17.1527 18.1285 18.1285 19.5946 19.5946 20.5944 20.5944 20.6842 20.6842 21.5666 21.5666 k = 0.0000 0.0000 0.7142 ( 3570 PWs) bands (ev): 5.2980 5.2980 6.1675 6.1675 7.8321 7.8321 8.7835 8.7835 9.1061 9.1061 9.9604 9.9604 10.0200 10.0200 10.3123 10.3123 10.3463 10.3463 10.9146 10.9146 11.0226 11.0226 11.4872 11.4872 11.4880 11.4880 11.6497 11.6497 11.8116 11.8116 11.9559 11.9559 12.2192 12.2192 12.3148 12.3148 12.3213 12.3213 12.8175 12.8175 12.9584 12.9584 13.1299 13.1299 13.3436 13.3436 13.6167 13.6167 13.7987 13.7987 14.0467 14.0467 14.0968 14.0968 14.3362 14.3362 14.5632 14.5632 14.7890 14.7890 15.1443 15.1443 15.8354 15.8354 15.8740 15.8740 16.4410 16.4410 16.9087 16.9087 17.1527 17.1527 18.1285 18.1285 19.5946 19.5946 20.5944 20.5944 20.6842 20.6842 21.5666 21.5666 k =-0.0120 0.0123 0.7142 ( 3574 PWs) bands (ev): 5.2988 5.2988 6.1660 6.1660 7.8336 7.8336 8.7817 8.7817 9.1076 9.1076 9.9613 9.9613 10.0192 10.0192 10.3126 10.3126 10.3450 10.3450 10.9155 10.9155 11.0224 11.0224 11.4842 11.4842 11.4914 11.4914 11.6494 11.6494 11.8083 11.8083 11.9583 11.9583 12.2205 12.2205 12.3092 12.3092 12.3268 12.3268 12.8173 12.8173 12.9583 12.9583 13.1317 13.1317 13.3427 13.3427 13.6164 13.6164 13.7990 13.7990 14.0431 14.0431 14.1004 14.1004 14.3347 14.3347 14.5645 14.5645 14.7906 14.7906 15.1440 15.1440 15.8347 15.8347 15.8727 15.8727 16.4380 16.4380 16.9127 16.9127 17.1537 17.1537 18.1280 18.1280 19.5968 19.5968 20.5882 20.5882 20.6841 20.6841 21.5466 21.5466 k =-0.0240 0.0245 0.7142 ( 3580 PWs) bands (ev): 5.3011 5.3011 6.1614 6.1614 7.8381 7.8381 8.7762 8.7762 9.1122 9.1122 9.9640 9.9640 10.0170 10.0170 10.3134 10.3134 10.3413 10.3413 10.9179 10.9179 11.0218 11.0218 11.4807 11.4807 11.4961 11.4961 11.6486 11.6486 11.7993 11.7993 11.9647 11.9647 12.2245 12.2245 12.3013 12.3013 12.3343 12.3343 12.8168 12.8168 12.9581 12.9581 13.1367 13.1367 13.3402 13.3402 13.6154 13.6154 13.7998 13.7998 14.0342 14.0342 14.1093 14.1093 14.3303 14.3303 14.5685 14.5685 14.7952 14.7952 15.1432 15.1432 15.8326 15.8326 15.8688 15.8688 16.4292 16.4292 16.9244 16.9244 17.1569 17.1569 18.1265 18.1265 19.6031 19.6031 20.5706 20.5706 20.6830 20.6830 21.4894 21.4894 k =-0.0360 0.0368 0.7142 ( 3582 PWs) bands (ev): 5.3050 5.3050 6.1540 6.1540 7.8457 7.8457 8.7670 8.7670 9.1200 9.1200 9.9678 9.9678 10.0139 10.0139 10.3144 10.3144 10.3355 10.3355 10.9220 10.9220 11.0207 11.0207 11.4766 11.4766 11.5021 11.5021 11.6470 11.6470 11.7867 11.7867 11.9736 11.9736 12.2310 12.2310 12.2934 12.2934 12.3416 12.3416 12.8158 12.8158 12.9580 12.9580 13.1446 13.1446 13.3361 13.3361 13.6139 13.6139 13.8010 13.8010 14.0222 14.0222 14.1214 14.1214 14.3235 14.3235 14.5747 14.5747 14.8027 14.8027 15.1419 15.1419 15.8292 15.8292 15.8623 15.8623 16.4150 16.4150 16.9432 16.9432 17.1627 17.1627 18.1240 18.1240 19.6137 19.6137 20.5429 20.5429 20.6794 20.6794 21.4017 21.4017 k =-0.0480 0.0490 0.7142 ( 3578 PWs) bands (ev): 5.3104 5.3104 6.1437 6.1437 7.8562 7.8562 8.7538 8.7538 9.1311 9.1311 9.9714 9.9714 10.0113 10.0113 10.3145 10.3145 10.3290 10.3290 10.9277 10.9277 11.0189 11.0189 11.4716 11.4716 11.5095 11.5095 11.6439 11.6439 11.7730 11.7730 11.9836 11.9836 12.2399 12.2399 12.2860 12.2860 12.3484 12.3484 12.8141 12.8141 12.9579 12.9579 13.1548 13.1548 13.3306 13.3306 13.6118 13.6118 13.8024 13.8024 14.0083 14.0083 14.1354 14.1354 14.3149 14.3149 14.5828 14.5828 14.8130 14.8130 15.1401 15.1401 15.8244 15.8244 15.8533 15.8533 16.3961 16.3961 16.9680 16.9680 17.1721 17.1721 18.1203 18.1203 19.6283 19.6283 20.5057 20.5057 20.6721 20.6721 21.2921 21.2921 k =-0.0601 0.0613 0.7142 ( 3572 PWs) bands (ev): 5.3173 5.3173 6.1307 6.1307 7.8698 7.8698 8.7365 8.7365 9.1457 9.1457 9.9718 9.9718 10.0124 10.0124 10.3092 10.3092 10.3265 10.3265 10.9350 10.9350 11.0164 11.0164 11.4655 11.4655 11.5181 11.5181 11.6389 11.6389 11.7602 11.7602 11.9940 11.9940 12.2497 12.2497 12.2807 12.2807 12.3546 12.3546 12.8115 12.8115 12.9582 12.9582 13.1664 13.1664 13.3240 13.3240 13.6093 13.6093 13.8040 13.8040 13.9929 13.9929 14.1510 14.1510 14.3049 14.3049 14.5922 14.5922 14.8259 14.8259 15.1378 15.1378 15.8181 15.8181 15.8418 15.8418 16.3729 16.3729 16.9970 16.9970 17.1865 17.1865 18.1154 18.1154 19.6469 19.6469 20.4584 20.4584 20.6609 20.6609 21.1695 21.1695 k =-0.0721 0.0735 0.7142 ( 3572 PWs) bands (ev): 5.3257 5.3257 6.1152 6.1152 7.8863 7.8863 8.7152 8.7152 9.1639 9.1639 9.9667 9.9667 10.0195 10.0195 10.2981 10.2981 10.3285 10.3285 10.9438 10.9438 11.0129 11.0129 11.4584 11.4584 11.5274 11.5274 11.6315 11.6315 11.7501 11.7501 12.0045 12.0045 12.2548 12.2548 12.2826 12.2826 12.3599 12.3599 12.8079 12.8079 12.9589 12.9589 13.1786 13.1786 13.3165 13.3165 13.6066 13.6066 13.8054 13.8054 13.9763 13.9763 14.1677 14.1677 14.2947 14.2947 14.6027 14.6027 14.8410 14.8410 15.1349 15.1349 15.8103 15.8103 15.8278 15.8278 16.3463 16.3463 17.0279 17.0279 17.2085 17.2085 18.1091 18.1091 19.6692 19.6692 20.3992 20.3992 20.6461 20.6461 21.0418 21.0418 k =-0.0841 0.0858 0.7142 ( 3564 PWs) bands (ev): 5.3355 5.3355 6.0973 6.0973 7.9057 7.9057 8.6899 8.6899 9.1854 9.1854 9.9570 9.9570 10.0316 10.0316 10.2843 10.2843 10.3325 10.3325 10.9542 10.9542 11.0085 11.0085 11.4502 11.4502 11.5363 11.5363 11.6223 11.6223 11.7437 11.7437 12.0153 12.0153 12.2515 12.2515 12.2951 12.2951 12.3644 12.3644 12.8032 12.8032 12.9602 12.9602 13.1904 13.1904 13.3083 13.3083 13.6036 13.6036 13.8066 13.8066 13.9587 13.9587 14.1844 14.1844 14.2853 14.2853 14.6139 14.6139 14.8580 14.8580 15.1317 15.1317 15.8010 15.8010 15.8114 15.8114 16.3166 16.3166 17.0577 17.0577 17.2410 17.2410 18.1015 18.1015 19.6952 19.6952 20.3254 20.3254 20.6281 20.6281 20.9168 20.9168 k =-0.0961 0.0980 0.7142 ( 3584 PWs) bands (ev): 5.3468 5.3468 6.0772 6.0772 7.9279 7.9279 8.6608 8.6608 9.2103 9.2103 9.9443 9.9443 10.0472 10.0472 10.2689 10.2689 10.3375 10.3375 10.9662 10.9662 11.0032 11.0032 11.4411 11.4411 11.5428 11.5428 11.6134 11.6134 11.7410 11.7410 12.0262 12.0262 12.2448 12.2448 12.3124 12.3124 12.3679 12.3679 12.7975 12.7975 12.9622 12.9622 13.2010 13.2010 13.2999 13.2999 13.6003 13.6003 13.8074 13.8074 13.9402 13.9402 14.1989 14.1989 14.2793 14.2793 14.6253 14.6253 14.8765 14.8765 15.1281 15.1281 15.7900 15.7900 15.7928 15.7928 16.2843 16.2843 17.0841 17.0841 17.2864 17.2864 18.0925 18.0925 19.7244 19.7244 20.2341 20.2341 20.6075 20.6075 20.8009 20.8009 k =-0.1081 0.1103 0.7142 ( 3588 PWs) bands (ev): 5.3595 5.3595 6.0552 6.0552 7.9530 7.9530 8.6282 8.6282 9.2381 9.2381 9.9294 9.9294 10.0651 10.0651 10.2529 10.2529 10.3432 10.3432 10.9795 10.9795 10.9969 10.9969 11.4314 11.4314 11.5432 11.5432 11.6093 11.6093 11.7417 11.7417 12.0375 12.0375 12.2374 12.2374 12.3309 12.3309 12.3710 12.3710 12.7911 12.7911 12.9650 12.9650 13.2095 13.2095 13.2917 13.2917 13.5968 13.5968 13.8077 13.8077 13.9212 13.9212 14.2072 14.2072 14.2809 14.2809 14.6367 14.6367 14.8960 14.8960 15.1245 15.1245 15.7715 15.7715 15.7779 15.7779 16.2500 16.2500 17.1070 17.1070 17.3450 17.3450 18.0821 18.0821 19.7568 19.7568 20.1242 20.1242 20.5839 20.5839 20.6992 20.6992 k =-0.1201 0.1225 0.7142 ( 3588 PWs) bands (ev): 5.3735 5.3735 6.0315 6.0315 7.9809 7.9809 8.5925 8.5925 9.2687 9.2687 9.9128 9.9128 10.0846 10.0846 10.2369 10.2369 10.3496 10.3496 10.9897 10.9897 10.9945 10.9945 11.4213 11.4213 11.5355 11.5355 11.6124 11.6124 11.7448 11.7448 12.0488 12.0488 12.2299 12.2299 12.3469 12.3469 12.3758 12.3758 12.7841 12.7841 12.9688 12.9688 13.2152 13.2152 13.2843 13.2843 13.5928 13.5928 13.8073 13.8073 13.9019 13.9019 14.2067 14.2067 14.2927 14.2927 14.6479 14.6479 14.9157 14.9157 15.1214 15.1214 15.7486 15.7486 15.7639 15.7639 16.2139 16.2139 17.1276 17.1276 17.4158 17.4158 18.0704 18.0704 19.7918 19.7918 19.9975 19.9975 20.5511 20.5511 20.6190 20.6190 k =-0.1321 0.1348 0.7142 ( 3600 PWs) bands (ev): 5.3888 5.3888 6.0062 6.0062 8.0114 8.0114 8.5539 8.5539 9.3016 9.3016 9.8949 9.8949 10.1040 10.1040 10.2226 10.2226 10.3567 10.3567 10.9818 10.9818 11.0106 11.0106 11.4112 11.4112 11.5223 11.5223 11.6208 11.6208 11.7499 11.7499 12.0597 12.0597 12.2230 12.2230 12.3542 12.3542 12.3878 12.3878 12.7768 12.7768 12.9736 12.9736 13.2174 13.2174 13.2784 13.2784 13.5880 13.5880 13.8061 13.8061 13.8828 13.8828 14.2001 14.2001 14.3117 14.3117 14.6584 14.6584 14.9346 14.9346 15.1197 15.1197 15.7237 15.7237 15.7482 15.7482 16.1764 16.1764 17.1475 17.1475 17.4969 17.4969 18.0578 18.0578 19.8257 19.8257 19.8616 19.8616 20.4933 20.4933 20.5743 20.5743 k =-0.1441 0.1470 0.7142 ( 3600 PWs) bands (ev): 5.4053 5.4053 5.9797 5.9797 8.0446 8.0446 8.5129 8.5129 9.3365 9.3365 9.8757 9.8757 10.1201 10.1201 10.2135 10.2135 10.3643 10.3643 10.9733 10.9733 11.0281 11.0281 11.4012 11.4012 11.5069 11.5069 11.6315 11.6315 11.7566 11.7566 12.0697 12.0697 12.2170 12.2170 12.3529 12.3529 12.4058 12.4058 12.7695 12.7695 12.9794 12.9794 13.2158 13.2158 13.2745 13.2745 13.5822 13.5822 13.8035 13.8035 13.8648 13.8648 14.1910 14.1910 14.3343 14.3343 14.6680 14.6680 14.9511 14.9511 15.1206 15.1206 15.6972 15.6972 15.7310 15.7310 16.1379 16.1379 17.1680 17.1680 17.5865 17.5865 18.0452 18.0452 19.7075 19.7075 19.8717 19.8717 20.4220 20.4220 20.5515 20.5515 k =-0.1562 0.1593 0.7142 ( 3598 PWs) bands (ev): 5.4230 5.4230 5.9522 5.9522 8.0803 8.0803 8.4698 8.4698 9.3729 9.3729 9.8555 9.8555 10.1268 10.1268 10.2159 10.2159 10.3726 10.3726 10.9643 10.9643 11.0468 11.0468 11.3918 11.3918 11.4911 11.4911 11.6425 11.6425 11.7643 11.7643 12.0780 12.0780 12.2125 12.2125 12.3471 12.3471 12.4253 12.4253 12.7626 12.7626 12.9863 12.9863 13.2107 13.2107 13.2728 13.2728 13.5751 13.5751 13.7979 13.7979 13.8499 13.8499 14.1813 14.1813 14.3582 14.3582 14.6764 14.6764 14.9635 14.9635 15.1257 15.1257 15.6693 15.6693 15.7123 15.7123 16.0987 16.0987 17.1899 17.1899 17.6816 17.6816 18.0348 18.0348 19.5552 19.5552 19.9135 19.9135 20.3495 20.3495 20.5359 20.5359 k =-0.1682 0.1716 0.7142 ( 3596 PWs) bands (ev): 5.4418 5.4418 5.9238 5.9238 8.1184 8.1184 8.4250 8.4250 9.4103 9.4103 9.8345 9.8345 10.1215 10.1215 10.2325 10.2325 10.3814 10.3814 10.9549 10.9549 11.0668 11.0668 11.3831 11.3831 11.4762 11.4762 11.6531 11.6531 11.7728 11.7728 12.0834 12.0834 12.2101 12.2101 12.3382 12.3382 12.4444 12.4444 12.7563 12.7563 12.9941 12.9941 13.2029 13.2029 13.2729 13.2729 13.5665 13.5665 13.7871 13.7871 13.8406 13.8406 14.1718 14.1718 14.3821 14.3821 14.6833 14.6833 14.9703 14.9703 15.1362 15.1362 15.6402 15.6402 15.6923 15.6923 16.0590 16.0590 17.2138 17.2138 17.7757 17.7757 18.0327 18.0327 19.4011 19.4011 19.9571 19.9571 20.2779 20.2779 20.5247 20.5247 k =-0.1802 0.1838 0.7142 ( 3600 PWs) bands (ev): 5.4616 5.4616 5.8948 5.8948 8.1589 8.1589 8.3789 8.3789 9.4480 9.4480 9.8130 9.8130 10.1092 10.1092 10.2586 10.2586 10.3907 10.3907 10.9452 10.9452 11.0878 11.0878 11.3753 11.3753 11.4626 11.4626 11.6627 11.6627 11.7818 11.7818 12.0852 12.0852 12.2104 12.2104 12.3267 12.3267 12.4623 12.4623 12.7507 12.7507 13.0025 13.0025 13.1931 13.1931 13.2748 13.2748 13.5563 13.5563 13.7708 13.7708 13.8375 13.8375 14.1630 14.1630 14.4053 14.4053 14.6884 14.6884 14.9714 14.9714 15.1518 15.1518 15.6102 15.6102 15.6712 15.6712 16.0191 16.0191 17.2403 17.2403 17.8497 17.8497 18.0574 18.0574 19.2478 19.2478 20.0015 20.0015 20.2073 20.2073 20.5171 20.5171 k =-0.1922 0.1961 0.7142 ( 3608 PWs) bands (ev): 5.4824 5.4824 5.8654 5.8654 8.2016 8.2016 8.3319 8.3319 9.4853 9.4853 9.7913 9.7913 10.0947 10.0947 10.2900 10.2900 10.4005 10.4005 10.9352 10.9352 11.1097 11.1097 11.3684 11.3684 11.4510 11.4510 11.6708 11.6708 11.7909 11.7909 12.0830 12.0830 12.2134 12.2134 12.3130 12.3130 12.4788 12.4788 12.7460 12.7460 13.0110 13.0110 13.1821 13.1821 13.2785 13.2785 13.5449 13.5449 13.7510 13.7510 13.8388 13.8388 14.1550 14.1550 14.4269 14.4269 14.6913 14.6913 14.9679 14.9679 15.1709 15.1709 15.5796 15.5796 15.6498 15.6498 15.9793 15.9793 17.2695 17.2695 17.8793 17.8793 18.1331 18.1331 19.0971 19.0971 20.0435 20.0435 20.1407 20.1407 20.5129 20.5129 k =-0.2042 0.2083 0.7142 ( 3600 PWs) bands (ev): 5.5040 5.5040 5.8358 5.8358 8.2462 8.2462 8.2844 8.2844 9.5209 9.5209 9.7701 9.7701 10.0803 10.0803 10.3248 10.3248 10.4108 10.4108 10.9250 10.9250 11.1326 11.1326 11.3625 11.3625 11.4418 11.4418 11.6772 11.6772 11.8000 11.8000 12.0768 12.0768 12.2186 12.2186 12.2977 12.2977 12.4935 12.4935 12.7422 12.7422 13.0189 13.0189 13.1699 13.1699 13.2843 13.2843 13.5325 13.5325 13.7294 13.7294 13.8430 13.8430 14.1479 14.1479 14.4463 14.4463 14.6918 14.6918 14.9613 14.9613 15.1909 15.1909 15.5483 15.5483 15.6293 15.6293 15.9398 15.9398 17.3017 17.3017 17.8761 17.8761 18.2472 18.2472 18.9509 18.9509 20.0459 20.0459 20.1148 20.1148 20.5120 20.5120 k =-0.2162 0.2206 0.7142 ( 3588 PWs) bands (ev): 5.5264 5.5264 5.8061 5.8061 8.2360 8.2360 8.2934 8.2934 9.5530 9.5530 9.7504 9.7504 10.0675 10.0675 10.3619 10.3619 10.4214 10.4214 10.9148 10.9148 11.1563 11.1563 11.3574 11.3574 11.4353 11.4353 11.6817 11.6817 11.8086 11.8086 12.0668 12.0668 12.2251 12.2251 12.2815 12.2815 12.5065 12.5065 12.7390 12.7390 13.0252 13.0252 13.1568 13.1568 13.2926 13.2926 13.5198 13.5198 13.7072 13.7072 13.8493 13.8493 14.1415 14.1415 14.4628 14.4628 14.6896 14.6896 14.9534 14.9534 15.2092 15.2092 15.5160 15.5160 15.6116 15.6116 15.9011 15.9011 17.3370 17.3370 17.8601 17.8601 18.3780 18.3780 18.8121 18.8121 19.9847 19.9847 20.1533 20.1533 20.5144 20.5144 k =-0.2282 0.2328 0.7142 ( 3596 PWs) bands (ev): 5.5494 5.5494 5.7765 5.7765 8.1881 8.1881 8.3418 8.3418 9.5789 9.5789 9.7340 9.7340 10.0578 10.0578 10.4010 10.4010 10.4324 10.4324 10.9046 10.9046 11.1806 11.1806 11.3529 11.3529 11.4320 11.4320 11.6843 11.6843 11.8165 11.8165 12.0536 12.0536 12.2317 12.2317 12.2654 12.2654 12.5179 12.5179 12.7366 12.7366 13.0292 13.0292 13.1428 13.1428 13.3033 13.3033 13.5079 13.5079 13.6851 13.6851 13.8572 13.8572 14.1359 14.1359 14.4757 14.4757 14.6845 14.6845 14.9452 14.9452 15.2229 15.2229 15.4822 15.4822 15.5989 15.5989 15.8635 15.8635 17.3751 17.3751 17.8391 17.8391 18.5037 18.5037 18.6954 18.6954 19.9165 19.9165 20.1994 20.1994 20.5198 20.5198 k =-0.2402 0.2451 0.7142 ( 3592 PWs) bands (ev): 5.5730 5.5730 5.7473 5.7473 8.1405 8.1405 8.3919 8.3919 9.5944 9.5944 9.7240 9.7240 10.0525 10.0525 10.4418 10.4418 10.4437 10.4437 10.8946 10.8946 11.2054 11.2054 11.3489 11.3489 11.4320 11.4320 11.6847 11.6847 11.8235 11.8235 12.0371 12.0371 12.2348 12.2348 12.2533 12.2533 12.5278 12.5278 12.7346 12.7346 13.0302 13.0302 13.1277 13.1277 13.3158 13.3158 13.4980 13.4980 13.6636 13.6636 13.8664 13.8664 14.1310 14.1310 14.4845 14.4845 14.6765 14.6765 14.9377 14.9377 15.2299 15.2299 15.4463 15.4463 15.5933 15.5933 15.8281 15.8281 17.4157 17.4157 17.8162 17.8162 18.4998 18.4998 18.7233 18.7233 19.8481 19.8481 20.2459 20.2459 20.5282 20.5282 k =-0.2402 0.2451 0.7142 ( 3592 PWs) bands (ev): 5.5730 5.5730 5.7473 5.7473 8.1405 8.1405 8.3919 8.3919 9.5944 9.5944 9.7240 9.7240 10.0525 10.0525 10.4418 10.4418 10.4437 10.4437 10.8946 10.8946 11.2054 11.2054 11.3489 11.3489 11.4320 11.4320 11.6847 11.6847 11.8235 11.8235 12.0371 12.0371 12.2348 12.2348 12.2533 12.2533 12.5278 12.5278 12.7346 12.7346 13.0302 13.0302 13.1277 13.1277 13.3158 13.3158 13.4980 13.4980 13.6636 13.6636 13.8664 13.8664 14.1310 14.1310 14.4845 14.4845 14.6765 14.6765 14.9377 14.9377 15.2299 15.2299 15.4463 15.4463 15.5933 15.5933 15.8281 15.8281 17.4157 17.4157 17.8162 17.8162 18.4998 18.4998 18.7233 18.7233 19.8481 19.8481 20.2459 20.2459 20.5282 20.5282 k =-0.2489 0.2539 0.7019 ( 3590 PWs) bands (ev): 5.5887 5.5887 5.7266 5.7266 8.1071 8.1071 8.4308 8.4308 9.5971 9.5971 9.7219 9.7219 10.0500 10.0500 10.4552 10.4552 10.4716 10.4716 10.8875 10.8875 11.2237 11.2237 11.3456 11.3456 11.4334 11.4334 11.6828 11.6828 11.8279 11.8279 12.0232 12.0232 12.2161 12.2161 12.2662 12.2662 12.5327 12.5327 12.7323 12.7323 13.0297 13.0297 13.1184 13.1184 13.3258 13.3258 13.4939 13.4939 13.6487 13.6487 13.8750 13.8750 14.1274 14.1274 14.4879 14.4879 14.6695 14.6695 14.9325 14.9325 15.2289 15.2289 15.4205 15.4205 15.5932 15.5932 15.8046 15.8046 17.4462 17.4462 17.7960 17.7960 18.4251 18.4251 18.8286 18.8286 19.7855 19.7855 20.2874 20.2874 20.5378 20.5378 k =-0.2576 0.2627 0.6895 ( 3600 PWs) bands (ev): 5.6015 5.6015 5.7066 5.7066 8.0753 8.0753 8.4738 8.4738 9.5932 9.5932 9.7232 9.7232 10.0458 10.0458 10.4738 10.4738 10.5007 10.5007 10.8806 10.8806 11.2421 11.2421 11.3408 11.3408 11.4358 11.4358 11.6787 11.6787 11.8315 11.8315 12.0075 12.0075 12.1913 12.1913 12.2864 12.2864 12.5336 12.5336 12.7287 12.7287 13.0281 13.0281 13.1136 13.1136 13.3359 13.3359 13.4940 13.4940 13.6344 13.6344 13.8863 13.8863 14.1236 14.1236 14.4890 14.4890 14.6621 14.6621 14.9274 14.9274 15.2215 15.2215 15.3971 15.3971 15.5949 15.5949 15.7838 15.7838 17.4769 17.4769 17.7684 17.7684 18.3538 18.3538 18.9487 18.9487 19.7026 19.7026 20.3396 20.3396 20.5522 20.5522 k =-0.2662 0.2716 0.6771 ( 3596 PWs) bands (ev): 5.6118 5.6118 5.6875 5.6875 8.0454 8.0454 8.5201 8.5201 9.5848 9.5848 9.7264 9.7264 10.0400 10.0400 10.4986 10.4986 10.5288 10.5288 10.8742 10.8742 11.2599 11.2599 11.3342 11.3342 11.4397 11.4397 11.6732 11.6732 11.8340 11.8340 11.9904 11.9904 12.1672 12.1672 12.3069 12.3069 12.5299 12.5299 12.7251 12.7251 13.0242 13.0242 13.1135 13.1135 13.3454 13.3454 13.4985 13.4985 13.6211 13.6211 13.8998 13.8998 14.1195 14.1195 14.4879 14.4879 14.6548 14.6548 14.9228 14.9228 15.2079 15.2079 15.3760 15.3760 15.5967 15.5967 15.7673 15.7673 17.5052 17.5052 17.7356 17.7356 18.2951 18.2951 19.0762 19.0762 19.6071 19.6071 20.3965 20.3965 20.5710 20.5710 k =-0.2749 0.2804 0.6648 ( 3600 PWs) bands (ev): 5.6199 5.6199 5.6694 5.6694 8.0174 8.0174 8.5690 8.5690 9.5733 9.5733 9.7300 9.7300 10.0327 10.0327 10.5283 10.5283 10.5560 10.5560 10.8684 10.8684 11.2752 11.2752 11.3271 11.3271 11.4456 11.4456 11.6673 11.6673 11.8350 11.8350 11.9727 11.9727 12.1439 12.1439 12.3267 12.3267 12.5218 12.5218 12.7231 12.7231 13.0177 13.0177 13.1166 13.1166 13.3549 13.3549 13.5067 13.5067 13.6090 13.6090 13.9150 13.9150 14.1151 14.1151 14.4847 14.4847 14.6477 14.6477 14.9189 14.9189 15.1893 15.1893 15.3571 15.3571 15.5961 15.5961 15.7568 15.7568 17.5239 17.5239 17.7058 17.7058 18.2503 18.2503 19.2090 19.2090 19.5040 19.5040 20.4545 20.4545 20.5939 20.5939 k =-0.2835 0.2892 0.6524 ( 3596 PWs) bands (ev): 5.6259 5.6259 5.6525 5.6525 7.9915 7.9915 8.6197 8.6197 9.5600 9.5600 9.7333 9.7333 10.0244 10.0244 10.5608 10.5608 10.5828 10.5828 10.8634 10.8634 11.2812 11.2812 11.3257 11.3257 11.4539 11.4539 11.6619 11.6619 11.8341 11.8341 11.9551 11.9551 12.1211 12.1211 12.3445 12.3445 12.5108 12.5108 12.7235 12.7235 13.0091 13.0091 13.1205 13.1205 13.3651 13.3651 13.5173 13.5173 13.5985 13.5985 13.9310 13.9310 14.1106 14.1106 14.4797 14.4797 14.6413 14.6413 14.9161 14.9161 15.1671 15.1671 15.3399 15.3399 15.5910 15.5910 15.7537 15.7537 17.5183 17.5183 17.6963 17.6963 18.2184 18.2184 19.3454 19.3454 19.3977 19.3977 20.5111 20.5111 20.6213 20.6213 k =-0.2922 0.2981 0.6400 ( 3597 PWs) bands (ev): 5.6299 5.6299 5.6374 5.6374 7.9678 7.9678 8.6713 8.6713 9.5455 9.5455 9.7361 9.7361 10.0155 10.0155 10.5921 10.5921 10.6113 10.6113 10.8594 10.8594 11.2723 11.2723 11.3358 11.3358 11.4643 11.4643 11.6574 11.6574 11.8312 11.8312 11.9384 11.9384 12.0985 12.0985 12.3588 12.3588 12.4995 12.4995 12.7264 12.7264 12.9991 12.9991 13.1237 13.1237 13.3768 13.3768 13.5288 13.5288 13.5902 13.5902 13.9471 13.9471 14.1063 14.1063 14.4732 14.4732 14.6355 14.6355 14.9143 14.9143 15.1428 15.1428 15.3244 15.3244 15.5810 15.5810 15.7579 15.7579 17.4833 17.4833 17.7153 17.7153 18.1969 18.1969 19.2859 19.2859 19.4892 19.4892 20.5637 20.5637 20.6539 20.6539 k =-0.3009 0.3069 0.6277 ( 3593 PWs) bands (ev): 5.6217 5.6217 5.6345 5.6345 7.9463 7.9463 8.7228 8.7228 9.5302 9.5302 9.7384 9.7384 10.0064 10.0064 10.6181 10.6181 10.6439 10.6439 10.8568 10.8568 11.2548 11.2548 11.3516 11.3516 11.4766 11.4766 11.6541 11.6541 11.8260 11.8260 11.9233 11.9233 12.0759 12.0759 12.3669 12.3669 12.4912 12.4912 12.7317 12.7317 12.9881 12.9881 13.1252 13.1252 13.3902 13.3902 13.5389 13.5389 13.5852 13.5852 13.9624 13.9624 14.1026 14.1026 14.4655 14.4655 14.6306 14.6306 14.9134 14.9134 15.1177 15.1177 15.3105 15.3105 15.5672 15.5672 15.7674 15.7674 17.4330 17.4330 17.7521 17.7521 18.1834 18.1834 19.1759 19.1759 19.6344 19.6344 20.6095 20.6095 20.6927 20.6927 k =-0.3095 0.3157 0.6153 ( 3599 PWs) bands (ev): 5.6090 5.6090 5.6364 5.6364 7.9271 7.9271 8.7733 8.7733 9.5144 9.5144 9.7401 9.7401 9.9974 9.9974 10.6396 10.6396 10.6778 10.6778 10.8562 10.8562 11.2339 11.2339 11.3684 11.3684 11.4903 11.4903 11.6518 11.6518 11.8189 11.8189 11.9099 11.9099 12.0535 12.0535 12.3671 12.3671 12.4888 12.4888 12.7391 12.7391 12.9762 12.9762 13.1249 13.1249 13.4047 13.4047 13.5450 13.5450 13.5852 13.5852 13.9761 13.9761 14.0998 14.0998 14.4574 14.4574 14.6266 14.6266 14.9131 14.9131 15.0929 15.0929 15.2981 15.2981 15.5514 15.5514 15.7799 15.7799 17.3787 17.3787 17.7976 17.7976 18.1761 18.1761 19.0667 19.0667 19.7830 19.7830 20.6477 20.6477 20.7373 20.7373 k =-0.3182 0.3246 0.6029 ( 3597 PWs) bands (ev): 5.5977 5.5977 5.6378 5.6378 7.9104 7.9104 8.8216 8.8216 9.4984 9.4984 9.7414 9.7414 9.9891 9.9891 10.6582 10.6582 10.7090 10.7090 10.8581 10.8581 11.2118 11.2118 11.3847 11.3847 11.5050 11.5050 11.6505 11.6505 11.8104 11.8104 11.8984 11.8984 12.0314 12.0314 12.3599 12.3599 12.4925 12.4925 12.7484 12.7484 12.9639 12.9639 13.1230 13.1230 13.4197 13.4197 13.5461 13.5461 13.5907 13.5907 13.9878 13.9878 14.0981 14.0981 14.4495 14.4495 14.6234 14.6234 14.9130 14.9130 15.0696 15.0696 15.2875 15.2875 15.5354 15.5354 15.7936 15.7936 17.3261 17.3261 17.8477 17.8477 18.1737 18.1737 18.9597 18.9597 19.9340 19.9340 20.6796 20.6796 20.7846 20.7846 k =-0.3268 0.3334 0.5906 ( 3598 PWs) bands (ev): 5.5880 5.5880 5.6386 5.6386 7.8962 7.8962 8.8666 8.8666 9.4826 9.4826 9.7424 9.7424 9.9815 9.9815 10.6746 10.6746 10.7347 10.7347 10.8637 10.8637 11.1901 11.1901 11.3998 11.3998 11.5199 11.5199 11.6499 11.6499 11.8014 11.8014 11.8885 11.8885 12.0104 12.0104 12.3484 12.3484 12.4997 12.4997 12.7588 12.7588 12.9516 12.9516 13.1200 13.1200 13.4343 13.4343 13.5443 13.5443 13.5988 13.5988 13.9971 13.9971 14.0976 14.0976 14.4422 14.4422 14.6209 14.6209 14.9126 14.9126 15.0488 15.0488 15.2785 15.2785 15.5203 15.5203 15.8071 15.8071 17.2783 17.2783 17.8996 17.8996 18.1764 18.1764 18.8560 18.8560 20.0863 20.0863 20.7066 20.7066 20.8314 20.8314 k =-0.3355 0.3422 0.5782 ( 3599 PWs) bands (ev): 5.5800 5.5800 5.6390 5.6390 7.8845 7.8845 8.9069 8.9069 9.4674 9.4674 9.7432 9.7432 9.9751 9.9751 10.6889 10.6889 10.7530 10.7530 10.8731 10.8731 11.1699 11.1699 11.4130 11.4130 11.5341 11.5341 11.6497 11.6497 11.7928 11.7928 11.8801 11.8801 11.9911 11.9911 12.3359 12.3359 12.5078 12.5078 12.7699 12.7699 12.9399 12.9399 13.1161 13.1161 13.4478 13.4478 13.5416 13.5416 13.6070 13.6070 14.0042 14.0042 14.0977 14.0977 14.4361 14.4361 14.6191 14.6191 14.9115 14.9115 15.0314 15.0314 15.2712 15.2712 15.5068 15.5068 15.8194 15.8194 17.2371 17.2371 17.9504 17.9504 18.1851 18.1851 18.7567 18.7567 20.2383 20.2383 20.7289 20.7289 20.8751 20.8751 k =-0.3441 0.3511 0.5658 ( 3599 PWs) bands (ev): 5.5737 5.5737 5.6391 5.6391 7.8753 7.8753 8.9410 8.9410 9.4538 9.4538 9.7437 9.7437 9.9699 9.9699 10.7009 10.7009 10.7639 10.7639 10.8853 10.8853 11.1524 11.1524 11.4240 11.4240 11.5469 11.5469 11.6497 11.6497 11.7855 11.7855 11.8731 11.8731 11.9746 11.9746 12.3243 12.3243 12.5152 12.5152 12.7805 12.7805 12.9295 12.9295 13.1121 13.1121 13.4595 13.4595 13.5389 13.5389 13.6140 13.6140 14.0095 14.0095 14.0981 14.0981 14.4314 14.4314 14.6179 14.6179 14.9096 14.9096 15.0181 15.0181 15.2657 15.2657 15.4958 15.4958 15.8297 15.8297 17.2039 17.2039 17.9954 17.9954 18.2025 18.2025 18.6634 18.6634 20.3867 20.3867 20.7459 20.7459 20.9137 20.9137 k =-0.3528 0.3599 0.5535 ( 3599 PWs) bands (ev): 5.5692 5.5692 5.6391 5.6391 7.8687 7.8687 8.9671 8.9671 9.4427 9.4427 9.7441 9.7441 9.9661 9.9661 10.7103 10.7103 10.7691 10.7691 10.8973 10.8973 11.1386 11.1386 11.4322 11.4322 11.5571 11.5571 11.6498 11.6498 11.7799 11.7799 11.8676 11.8676 11.9619 11.9619 12.3153 12.3153 12.5210 12.5210 12.7896 12.7896 12.9212 12.9212 13.1084 13.1084 13.4687 13.4687 13.5366 13.5366 13.6192 13.6192 14.0132 14.0132 14.0984 14.0984 14.4282 14.4282 14.6172 14.6172 14.9073 14.9073 15.0090 15.0090 15.2618 15.2618 15.4876 15.4876 15.8375 15.8375 17.1795 17.1795 18.0292 18.0292 18.2310 18.2310 18.5791 18.5791 20.5252 20.5252 20.7555 20.7555 20.9452 20.9452 k =-0.3615 0.3687 0.5411 ( 3594 PWs) bands (ev): 5.5664 5.5664 5.6391 5.6391 7.8648 7.8648 8.9838 8.9838 9.4353 9.4353 9.7443 9.7443 9.9637 9.9637 10.7164 10.7164 10.7710 10.7710 10.9059 10.9059 11.1298 11.1298 11.4373 11.4373 11.5637 11.5637 11.6499 11.6499 11.7765 11.7765 11.8640 11.8640 11.9538 11.9538 12.3095 12.3095 12.5246 12.5246 12.7957 12.7957 12.9158 12.9158 13.1058 13.1058 13.4747 13.4747 13.5349 13.5349 13.6223 13.6223 14.0155 14.0155 14.0984 14.0984 14.4264 14.4264 14.6169 14.6169 14.9053 14.9053 15.0039 15.0039 15.2595 15.2595 15.4826 15.4826 15.8423 15.8423 17.1646 17.1646 18.0488 18.0488 18.2660 18.2660 18.5114 18.5114 20.6405 20.6405 20.7533 20.7533 20.9678 20.9678 k =-0.3701 0.3776 0.5287 ( 3588 PWs) bands (ev): 5.5655 5.5655 5.6391 5.6391 7.8635 7.8635 8.9895 8.9895 9.4327 9.4327 9.7443 9.7443 9.9630 9.9630 10.7186 10.7186 10.7714 10.7714 10.9090 10.9090 11.1267 11.1267 11.4391 11.4391 11.5660 11.5660 11.6499 11.6499 11.7753 11.7753 11.8627 11.8627 11.9510 11.9510 12.3075 12.3075 12.5258 12.5258 12.7979 12.7979 12.9138 12.9138 13.1049 13.1049 13.4767 13.4767 13.5344 13.5344 13.6233 13.6233 14.0163 14.0163 14.0984 14.0984 14.4259 14.4259 14.6168 14.6168 14.9045 14.9045 15.0023 15.0023 15.2588 15.2588 15.4809 15.4809 15.8439 15.8439 17.1597 17.1597 18.0549 18.0549 18.2853 18.2853 18.4817 18.4817 20.7015 20.7015 20.7374 20.7374 20.9769 20.9769 k =-0.3701 0.3776 0.5287 ( 3588 PWs) bands (ev): 5.5655 5.5655 5.6391 5.6391 7.8635 7.8635 8.9895 8.9895 9.4327 9.4327 9.7443 9.7443 9.9630 9.9630 10.7186 10.7186 10.7714 10.7714 10.9090 10.9090 11.1267 11.1267 11.4391 11.4391 11.5660 11.5660 11.6499 11.6499 11.7753 11.7753 11.8627 11.8627 11.9510 11.9510 12.3075 12.3075 12.5258 12.5258 12.7979 12.7979 12.9138 12.9138 13.1049 13.1049 13.4767 13.4767 13.5344 13.5344 13.6233 13.6233 14.0163 14.0163 14.0984 14.0984 14.4259 14.4259 14.6168 14.6168 14.9045 14.9045 15.0023 15.0023 15.2588 15.2588 15.4809 15.4809 15.8439 15.8439 17.1597 17.1597 18.0549 18.0549 18.2853 18.2853 18.4817 18.4817 20.7015 20.7015 20.7374 20.7374 20.9769 20.9769 k =-0.3615 0.3688 0.5164 ( 3594 PWs) bands (ev): 5.5862 5.5862 5.5938 5.5938 7.9052 7.9052 8.9812 8.9812 9.4544 9.4544 9.7613 9.7613 9.9056 9.9056 10.6764 10.6764 10.7798 10.7798 10.9213 10.9213 11.1030 11.1030 11.4298 11.4298 11.5596 11.5596 11.6518 11.6518 11.7736 11.7736 11.8745 11.8745 11.9427 11.9427 12.2787 12.2787 12.5248 12.5248 12.8309 12.8309 12.9289 12.9289 13.1347 13.1347 13.4749 13.4749 13.5323 13.5323 13.6423 13.6423 14.0178 14.0178 14.0988 14.0988 14.4608 14.4608 14.6369 14.6369 14.9362 14.9362 14.9918 14.9918 15.2940 15.2940 15.5078 15.5078 15.8018 15.8018 17.1479 17.1479 18.0791 18.0791 18.3104 18.3104 18.4247 18.4247 20.5753 20.5753 20.7246 20.7246 20.8869 20.8869 k =-0.3529 0.3600 0.5041 ( 3598 PWs) bands (ev): 5.5439 5.5439 5.6087 5.6087 7.9490 7.9490 8.9768 8.9768 9.4776 9.4776 9.7780 9.7780 9.8508 9.8508 10.6286 10.6286 10.7927 10.7927 10.9310 10.9310 11.0835 11.0835 11.4216 11.4216 11.5531 11.5531 11.6539 11.6539 11.7700 11.7700 11.8678 11.8678 11.9493 11.9493 12.2518 12.2518 12.5217 12.5217 12.8677 12.8677 12.9385 12.9385 13.1624 13.1624 13.4698 13.4698 13.5312 13.5312 13.6757 13.6757 14.0185 14.0185 14.1022 14.1022 14.4941 14.4941 14.6536 14.6536 14.9658 14.9658 14.9750 14.9750 15.3324 15.3324 15.5357 15.5357 15.7633 15.7633 17.1352 17.1352 18.0672 18.0672 18.3361 18.3361 18.4051 18.4051 20.4141 20.4141 20.7433 20.7433 20.8011 20.8011 k =-0.3443 0.3512 0.4918 ( 3594 PWs) bands (ev): 5.4919 5.4919 5.6306 5.6306 7.9947 7.9947 8.9767 8.9767 9.5022 9.5022 9.7797 9.7797 9.8136 9.8136 10.5798 10.5798 10.8063 10.8063 10.9329 10.9329 11.0732 11.0732 11.4149 11.4149 11.5466 11.5466 11.6562 11.6562 11.7646 11.7646 11.8486 11.8486 11.9611 11.9611 12.2301 12.2301 12.5175 12.5175 12.9066 12.9066 12.9412 12.9412 13.1881 13.1881 13.4675 13.4675 13.5332 13.5332 13.7169 13.7169 14.0182 14.0182 14.1088 14.1088 14.5255 14.5255 14.6662 14.6662 14.9499 14.9499 14.9981 14.9981 15.3692 15.3692 15.5642 15.5642 15.7306 15.7306 17.1215 17.1215 18.0374 18.0374 18.2881 18.2881 18.4784 18.4784 20.2528 20.2528 20.6817 20.6817 20.7987 20.7987 k =-0.3357 0.3424 0.4795 ( 3598 PWs) bands (ev): 5.4369 5.4369 5.6524 5.6524 8.0424 8.0424 8.9808 8.9808 9.5281 9.5281 9.7360 9.7360 9.8246 9.8246 10.5312 10.5312 10.8201 10.8201 10.9223 10.9223 11.0760 11.0760 11.4104 11.4104 11.5401 11.5401 11.6587 11.6587 11.7576 11.7576 11.8253 11.8253 11.9660 11.9660 12.2178 12.2178 12.5131 12.5131 12.9362 12.9362 12.9461 12.9461 13.2123 13.2123 13.4709 13.4709 13.5394 13.5394 13.7623 13.7623 14.0172 14.0172 14.1185 14.1185 14.5550 14.5550 14.6742 14.6742 14.9244 14.9244 15.0271 15.0271 15.4000 15.4000 15.5934 15.5934 15.7068 15.7068 17.1068 17.1068 17.9984 17.9984 18.2314 18.2314 18.5699 18.5699 20.0928 20.0928 20.5799 20.5799 20.8398 20.8398 k =-0.3271 0.3337 0.4672 ( 3602 PWs) bands (ev): 5.3795 5.3795 5.6741 5.6741 8.0917 8.0917 8.9889 8.9889 9.5552 9.5552 9.6872 9.6872 9.8440 9.8440 10.4834 10.4834 10.8342 10.8342 10.9002 10.9002 11.0904 11.0904 11.4085 11.4085 11.5337 11.5337 11.6606 11.6606 11.7493 11.7493 11.8015 11.8015 11.9585 11.9585 12.2173 12.2173 12.5092 12.5092 12.9232 12.9232 12.9849 12.9849 13.2359 13.2359 13.4799 13.4799 13.5508 13.5508 13.8101 13.8101 14.0159 14.0159 14.1312 14.1312 14.5822 14.5822 14.6768 14.6768 14.8979 14.8979 15.0550 15.0550 15.4197 15.4197 15.6235 15.6235 15.6955 15.6955 17.0908 17.0908 17.9524 17.9524 18.1775 18.1775 18.6651 18.6651 19.9347 19.9347 20.4718 20.4718 20.8885 20.8885 k =-0.3185 0.3249 0.4549 ( 3598 PWs) bands (ev): 5.3197 5.3197 5.6953 5.6953 8.1428 8.1428 9.0010 9.0010 9.5834 9.5834 9.6405 9.6405 9.8649 9.8649 10.4371 10.4371 10.8487 10.8487 10.8705 10.8705 11.1115 11.1115 11.4097 11.4097 11.5271 11.5271 11.6606 11.6606 11.7405 11.7405 11.7791 11.7791 11.9390 11.9390 12.2270 12.2270 12.5067 12.5067 12.9036 12.9036 13.0219 13.0219 13.2600 13.2600 13.4924 13.4924 13.5678 13.5678 13.8596 13.8596 14.0150 14.0150 14.1466 14.1466 14.6072 14.6072 14.6735 14.6735 14.8722 14.8722 15.0812 15.0812 15.4254 15.4254 15.6550 15.6550 15.6988 15.6988 17.0735 17.0735 17.8992 17.8992 18.1294 18.1294 18.7607 18.7607 19.7791 19.7791 20.3595 20.3595 20.9190 20.9190 k =-0.3099 0.3161 0.4426 ( 3590 PWs) bands (ev): 5.2579 5.2579 5.7160 5.7160 8.1953 8.1953 9.0167 9.0167 9.5962 9.5962 9.6133 9.6133 9.8862 9.8862 10.3928 10.3928 10.8363 10.8363 10.8636 10.8636 11.1357 11.1357 11.4147 11.4147 11.5201 11.5201 11.6559 11.6559 11.7341 11.7341 11.7590 11.7590 11.9115 11.9115 12.2424 12.2424 12.5061 12.5061 12.8792 12.8792 13.0562 13.0562 13.2851 13.2851 13.5060 13.5060 13.5900 13.5900 13.9102 13.9102 14.0152 14.0152 14.1646 14.1646 14.6294 14.6294 14.6640 14.6640 14.8487 14.8487 15.1056 15.1056 15.4185 15.4185 15.6874 15.6874 15.7151 15.7151 17.0546 17.0546 17.8386 17.8386 18.0880 18.0880 18.8547 18.8547 19.6265 19.6265 20.2439 20.2439 20.8982 20.8982 k =-0.3013 0.3073 0.4304 ( 3588 PWs) bands (ev): 5.1944 5.1944 5.7357 5.7357 8.2493 8.2493 9.0356 9.0356 9.5562 9.5562 9.6430 9.6430 9.9078 9.9078 10.3511 10.3511 10.7990 10.7990 10.8791 10.8791 11.1606 11.1606 11.4240 11.4240 11.5124 11.5124 11.6441 11.6441 11.7329 11.7329 11.7407 11.7407 11.8806 11.8806 12.2591 12.2591 12.5079 12.5079 12.8526 12.8526 13.0874 13.0874 13.3111 13.3111 13.5196 13.5196 13.6155 13.6155 13.9616 13.9616 14.0176 14.0176 14.1851 14.1851 14.6404 14.6404 14.6574 14.6574 14.8283 14.8283 15.1277 15.1277 15.4036 15.4036 15.7184 15.7184 15.7422 15.7422 17.0340 17.0340 17.7715 17.7715 18.0528 18.0528 18.9460 18.9460 19.4774 19.4774 20.1256 20.1256 20.8660 20.8660 k =-0.2927 0.2985 0.4181 ( 3581 PWs) bands (ev): 5.1295 5.1295 5.7544 5.7544 8.3045 8.3045 9.0573 9.0573 9.5198 9.5198 9.6738 9.6738 9.9292 9.9292 10.3126 10.3126 10.7594 10.7594 10.8952 10.8952 11.1845 11.1845 11.4381 11.4381 11.5035 11.5035 11.6266 11.6266 11.7202 11.7202 11.7390 11.7390 11.8505 11.8505 12.2740 12.2740 12.5120 12.5120 12.8264 12.8264 13.1153 13.1153 13.3374 13.3374 13.5330 13.5330 13.6410 13.6410 14.0093 14.0093 14.0276 14.0276 14.2081 14.2081 14.6225 14.6225 14.6731 14.6731 14.8106 14.8106 15.1473 15.1473 15.3850 15.3850 15.7465 15.7465 15.7767 15.7767 17.0114 17.0114 17.6993 17.6993 18.0229 18.0229 19.0337 19.0337 19.3324 19.3324 20.0051 20.0051 20.8345 20.8345 k =-0.2840 0.2898 0.4058 ( 3587 PWs) bands (ev): 5.0635 5.0635 5.7718 5.7718 8.3609 8.3609 9.0812 9.0812 9.4875 9.4875 9.7051 9.7051 9.9500 9.9500 10.2783 10.2783 10.7180 10.7180 10.9120 10.9120 11.2065 11.2065 11.4573 11.4573 11.4925 11.4925 11.6069 11.6069 11.6980 11.6980 11.7472 11.7472 11.8258 11.8258 12.2855 12.2855 12.5177 12.5177 12.8030 12.8030 13.1403 13.1403 13.3630 13.3630 13.5462 13.5462 13.6631 13.6631 14.0246 14.0246 14.0749 14.0749 14.2337 14.2337 14.5990 14.5990 14.6904 14.6904 14.7948 14.7948 15.1639 15.1639 15.3657 15.3657 15.7735 15.7735 15.8140 15.8140 16.9864 16.9864 17.6234 17.6234 17.9967 17.9967 19.1170 19.1170 19.1919 19.1919 19.8831 19.8831 20.8047 20.8047 k =-0.2754 0.2810 0.3935 ( 3595 PWs) bands (ev): 4.9967 4.9967 5.7878 5.7878 8.4183 8.4183 9.1067 9.1067 9.4595 9.4595 9.7368 9.7368 9.9696 9.9696 10.2491 10.2491 10.6751 10.6751 10.9293 10.9293 11.2257 11.2257 11.4781 11.4781 11.4817 11.4817 11.5876 11.5876 11.6722 11.6722 11.7528 11.7528 11.8131 11.8131 12.2929 12.2929 12.5235 12.5235 12.7852 12.7852 13.1627 13.1627 13.3871 13.3871 13.5592 13.5592 13.6794 13.6794 14.0329 14.0329 14.1336 14.1336 14.2620 14.2620 14.5755 14.5755 14.7067 14.7067 14.7797 14.7797 15.1769 15.1769 15.3475 15.3475 15.8001 15.8001 15.8515 15.8515 16.9588 16.9588 17.5450 17.5450 17.9733 17.9733 19.0565 19.0565 19.1954 19.1954 19.7604 19.7604 20.7765 20.7765 k =-0.2668 0.2722 0.3812 ( 3591 PWs) bands (ev): 4.9294 4.9294 5.8022 5.8022 8.4766 8.4766 9.1329 9.1329 9.4361 9.4361 9.7687 9.7687 9.9874 9.9874 10.2262 10.2262 10.6309 10.6309 10.9472 10.9472 11.2421 11.2421 11.4617 11.4617 11.5073 11.5073 11.5703 11.5703 11.6449 11.6449 11.7498 11.7498 11.8181 11.8181 12.2966 12.2966 12.5276 12.5276 12.7751 12.7751 13.1831 13.1831 13.4088 13.4088 13.5719 13.5719 13.6887 13.6887 14.0404 14.0404 14.1964 14.1964 14.2932 14.2932 14.5551 14.5551 14.7222 14.7222 14.7645 14.7645 15.1855 15.1855 15.3321 15.3321 15.8265 15.8265 15.8878 15.8878 16.9280 16.9280 17.4652 17.4652 17.9515 17.9515 18.9271 18.9271 19.2670 19.2670 19.6389 19.6389 20.7494 20.7494 k =-0.2582 0.2634 0.3689 ( 3583 PWs) bands (ev): 4.8620 4.8620 5.8148 5.8148 8.5357 8.5357 9.1592 9.1592 9.4173 9.4173 9.8006 9.8006 10.0025 10.0025 10.2110 10.2110 10.5858 10.5858 10.9655 10.9655 11.2551 11.2551 11.4415 11.4415 11.5303 11.5303 11.5553 11.5553 11.6234 11.6234 11.7414 11.7414 11.8364 11.8364 12.2971 12.2971 12.5287 12.5287 12.7741 12.7741 13.2018 13.2018 13.4271 13.4271 13.5841 13.5841 13.6912 13.6912 14.0454 14.0454 14.2603 14.2603 14.3292 14.3292 14.5407 14.5407 14.7356 14.7356 14.7501 14.7501 15.1888 15.1888 15.3207 15.3207 15.8524 15.8524 15.9223 15.9223 16.8939 16.8939 17.3846 17.3846 17.9305 17.9305 18.8041 18.8041 19.3250 19.3250 19.5260 19.5260 20.7225 20.7225 k =-0.2496 0.2546 0.3566 ( 3585 PWs) bands (ev): 4.7945 4.7945 5.8255 5.8255 8.5954 8.5954 9.1844 9.1844 9.4032 9.4032 9.8324 9.8324 10.0145 10.0145 10.2045 10.2045 10.5400 10.5400 10.9840 10.9840 11.2640 11.2640 11.4189 11.4189 11.5298 11.5298 11.5479 11.5479 11.6239 11.6239 11.7327 11.7327 11.8617 11.8617 12.2952 12.2952 12.5273 12.5273 12.7816 12.7816 13.2192 13.2192 13.4415 13.4415 13.5953 13.5953 13.6886 13.6886 14.0467 14.0467 14.3157 14.3157 14.3764 14.3764 14.5351 14.5351 14.7288 14.7288 14.7549 14.7549 15.1866 15.1866 15.3141 15.3141 15.8779 15.8779 15.9544 15.9544 16.8560 16.8560 17.3039 17.3039 17.9096 17.9096 18.6882 18.6882 19.3223 19.3223 19.4694 19.4694 20.6952 20.6952 k =-0.2410 0.2459 0.3443 ( 3587 PWs) bands (ev): 4.7275 4.7275 5.8343 5.8343 8.6557 8.6557 9.2077 9.2077 9.3939 9.3939 9.8639 9.8639 10.0238 10.0238 10.2070 10.2070 10.4938 10.4938 11.0027 11.0027 11.2671 11.2671 11.3955 11.3955 11.5085 11.5085 11.5433 11.5433 11.6495 11.6495 11.7255 11.7255 11.8915 11.8915 12.2920 12.2920 12.5248 12.5248 12.7960 12.7960 13.2356 13.2356 13.4512 13.4512 13.6047 13.6047 13.6828 13.6828 14.0437 14.0437 14.3542 14.3542 14.4371 14.4371 14.5433 14.5433 14.7112 14.7112 14.7700 14.7700 15.1794 15.1794 15.3121 15.3121 15.9029 15.9029 15.9836 15.9836 16.8143 16.8143 17.2240 17.2240 17.8880 17.8880 18.5801 18.5801 19.2244 19.2244 19.5039 19.5039 20.6664 20.6664 k =-0.2324 0.2371 0.3320 ( 3579 PWs) bands (ev): 4.6610 4.6610 5.8410 5.8410 8.7163 8.7163 9.2283 9.2283 9.3891 9.3891 9.8950 9.8950 10.0319 10.0319 10.2173 10.2173 10.4476 10.4476 11.0209 11.0209 11.2619 11.2619 11.3720 11.3720 11.4872 11.4872 11.5376 11.5376 11.6845 11.6845 11.7213 11.7213 11.9248 11.9248 12.2884 12.2884 12.5231 12.5231 12.8153 12.8153 13.2510 13.2510 13.4555 13.4555 13.6111 13.6111 13.6769 13.6769 14.0365 14.0365 14.3816 14.3816 14.4899 14.4899 14.5779 14.5779 14.6924 14.6924 14.7866 14.7866 15.1686 15.1686 15.3140 15.3140 15.9270 15.9270 16.0093 16.0093 16.7688 16.7688 17.1453 17.1453 17.8651 17.8651 18.4803 18.4803 19.1037 19.1037 19.5576 19.5576 20.6354 20.6354 k =-0.2238 0.2283 0.3197 ( 3569 PWs) bands (ev): 4.5953 4.5953 5.8457 5.8457 8.7772 8.7772 9.2454 9.2454 9.3887 9.3887 9.9256 9.9256 10.0410 10.0410 10.2338 10.2338 10.4018 10.4018 11.0382 11.0382 11.2468 11.2468 11.3477 11.3477 11.4737 11.4737 11.5329 11.5329 11.7088 11.7088 11.7331 11.7331 11.9609 11.9609 12.2855 12.2855 12.5236 12.5236 12.8378 12.8378 13.2654 13.2654 13.4541 13.4541 13.6129 13.6129 13.6740 13.6740 14.0260 14.0260 14.4030 14.4030 14.5207 14.5207 14.6404 14.6404 14.6773 14.6773 14.8046 14.8046 15.1557 15.1557 15.3190 15.3190 15.9503 15.9503 16.0306 16.0306 16.7198 16.7198 17.0688 17.0688 17.8402 17.8402 18.3890 18.3890 18.9789 18.9789 19.6122 19.6122 20.6010 20.6010 k =-0.2152 0.2195 0.3074 ( 3569 PWs) bands (ev): 4.5306 4.5306 5.8484 5.8484 8.8381 8.8381 9.2585 9.2585 9.3924 9.3924 9.9554 9.9554 10.0526 10.0526 10.2549 10.2549 10.3569 10.3569 11.0531 11.0531 11.2236 11.2236 11.3209 11.3209 11.4711 11.4711 11.5294 11.5294 11.7109 11.7109 11.7703 11.7703 11.9992 11.9992 12.2846 12.2846 12.5273 12.5273 12.8620 12.8620 13.2789 13.2789 13.4466 13.4466 13.6103 13.6103 13.6754 13.6754 14.0130 14.0130 14.4206 14.4206 14.5414 14.5414 14.6492 14.6492 14.7297 14.7297 14.8243 14.8243 15.1419 15.1419 15.3272 15.3272 15.9725 15.9725 16.0468 16.0468 16.6683 16.6683 16.9953 16.9953 17.8130 17.8130 18.3062 18.3062 18.8529 18.8529 19.6650 19.6650 20.5623 20.5623 k =-0.2066 0.2107 0.2951 ( 3577 PWs) bands (ev): 4.4672 4.4672 5.8491 5.8491 8.8990 8.8990 9.2675 9.2675 9.4000 9.4000 9.9844 9.9844 10.0674 10.0674 10.2795 10.2795 10.3135 10.3135 11.0633 11.0633 11.1960 11.1960 11.2924 11.2924 11.4780 11.4780 11.5273 11.5273 11.7127 11.7127 11.8097 11.8097 12.0391 12.0391 12.2870 12.2870 12.5346 12.5346 12.8872 12.8872 13.2910 13.2910 13.4335 13.4335 13.6054 13.6054 13.6800 13.6800 13.9981 13.9981 14.4362 14.4362 14.5542 14.5542 14.6361 14.6361 14.8090 14.8090 14.8461 14.8461 15.1285 15.1285 15.3396 15.3396 15.9932 15.9932 16.0565 16.0565 16.6157 16.6157 16.9258 16.9258 17.7831 17.7831 18.2314 18.2314 18.7270 18.7270 19.7151 19.7151 20.5182 20.5182 k =-0.1980 0.2020 0.2828 ( 3585 PWs) bands (ev): 4.4052 4.4052 5.8479 5.8479 8.9597 8.9597 9.2722 9.2722 9.4113 9.4113 10.0122 10.0122 10.0851 10.0851 10.2726 10.2726 10.3072 10.3072 11.0640 11.0640 11.1683 11.1683 11.2657 11.2657 11.4903 11.4903 11.5278 11.5278 11.7169 11.7169 11.8478 11.8478 12.0797 12.0797 12.2939 12.2939 12.5460 12.5460 12.9127 12.9127 13.3012 13.3012 13.4163 13.4163 13.6006 13.6006 13.6860 13.6860 13.9820 13.9820 14.4505 14.4505 14.5530 14.5530 14.6334 14.6334 14.8666 14.8666 14.8867 14.8867 15.1166 15.1166 15.3582 15.3582 16.0115 16.0115 16.0587 16.0587 16.5639 16.5639 16.8618 16.8618 17.7505 17.7505 18.1639 18.1639 18.6016 18.6016 19.7619 19.7619 20.4679 20.4679 k =-0.1894 0.1932 0.2705 ( 3581 PWs) bands (ev): 4.3448 4.3448 5.8450 5.8450 9.0200 9.0200 9.2728 9.2728 9.4262 9.4262 10.0382 10.0382 10.1037 10.1037 10.2366 10.2366 10.3376 10.3376 11.0502 11.0502 11.1413 11.1413 11.2476 11.2476 11.5019 11.5019 11.5348 11.5348 11.7242 11.7242 11.8829 11.8829 12.1203 12.1203 12.3063 12.3063 12.5617 12.5617 12.9383 12.9383 13.3082 13.3082 13.3973 13.3973 13.5971 13.5971 13.6922 13.6922 13.9649 13.9649 14.4639 14.4639 14.5372 14.5372 14.6417 14.6417 14.8913 14.8913 14.9495 14.9495 15.1081 15.1081 15.3854 15.3854 16.0247 16.0247 16.0543 16.0543 16.5154 16.5154 16.8050 16.8050 17.7155 17.7155 18.1024 18.1024 18.4771 18.4771 19.8046 19.8046 20.4108 20.4108 k =-0.1808 0.1844 0.2582 ( 3581 PWs) bands (ev): 4.2861 4.2861 5.8404 5.8404 9.0798 9.0798 9.2697 9.2697 9.4445 9.4445 10.0611 10.0611 10.1178 10.1178 10.2113 10.2113 10.3707 10.3707 11.0227 11.0227 11.1105 11.1105 11.2434 11.2434 11.5073 11.5073 11.5524 11.5524 11.7348 11.7348 11.9143 11.9143 12.1603 12.1603 12.3250 12.3250 12.5819 12.5819 12.9636 12.9636 13.3091 13.3091 13.3806 13.3806 13.5957 13.5957 13.6982 13.6982 13.9469 13.9469 14.4753 14.4753 14.5151 14.5151 14.6539 14.6539 14.9150 14.9150 14.9952 14.9952 15.1063 15.1063 15.4230 15.4230 16.0206 16.0206 16.0541 16.0541 16.4723 16.4723 16.7576 16.7576 17.6785 17.6785 18.0453 18.0453 18.3538 18.3538 19.8421 19.8421 20.3473 20.3473 k =-0.1722 0.1756 0.2459 ( 3587 PWs) bands (ev): 4.2293 4.2293 5.8344 5.8344 9.1386 9.1386 9.2637 9.2637 9.4659 9.4659 10.0760 10.0760 10.1210 10.1210 10.2071 10.2071 10.4067 10.4067 10.9871 10.9871 11.0733 11.0733 11.2512 11.2512 11.5089 11.5089 11.5774 11.5774 11.7490 11.7490 11.9411 11.9411 12.1991 12.1991 12.3497 12.3497 12.6067 12.6067 12.9884 12.9884 13.3006 13.3006 13.3707 13.3707 13.5966 13.5966 13.7036 13.7036 13.9283 13.9283 14.4730 14.4730 14.5023 14.5023 14.6653 14.6653 14.9367 14.9367 15.0201 15.0201 15.1139 15.1139 15.4689 15.4689 15.9971 15.9971 16.0611 16.0611 16.4366 16.4366 16.7214 16.7214 17.6396 17.6396 17.9910 17.9910 18.2323 18.2323 19.8716 19.8716 20.2789 20.2789 k =-0.1635 0.1668 0.2336 ( 3585 PWs) bands (ev): 4.1745 4.1745 5.8272 5.8272 9.1954 9.1954 9.2563 9.2563 9.4901 9.4901 10.0693 10.0693 10.1278 10.1278 10.2221 10.2221 10.4456 10.4456 10.9473 10.9473 11.0313 11.0313 11.2659 11.2659 11.5098 11.5098 11.6062 11.6062 11.7669 11.7669 11.9632 11.9632 12.2369 12.2369 12.3795 12.3795 12.6364 12.6364 13.0127 13.0127 13.2836 13.2836 13.3675 13.3675 13.6002 13.6002 13.7084 13.7084 13.9090 13.9090 14.4469 14.4469 14.5102 14.5102 14.6739 14.6739 14.9544 14.9544 15.0306 15.0306 15.1281 15.1281 15.5157 15.5157 15.9679 15.9679 16.0659 16.0659 16.4096 16.4096 16.6979 16.6979 17.5994 17.5994 17.9379 17.9379 18.1132 18.1132 19.8876 19.8876 20.2108 20.2108 k =-0.1549 0.1580 0.2213 ( 3589 PWs) bands (ev): 4.1219 4.1219 5.8188 5.8188 9.2333 9.2333 9.2647 9.2647 9.5165 9.5165 10.0462 10.0462 10.1442 10.1442 10.2443 10.2443 10.4874 10.4874 10.9053 10.9053 10.9867 10.9867 11.2841 11.2841 11.5111 11.5111 11.6375 11.6375 11.7883 11.7883 11.9811 11.9811 12.2740 12.2740 12.4127 12.4127 12.6709 12.6709 13.0364 13.0364 13.2629 13.2629 13.3672 13.3672 13.6070 13.6070 13.7124 13.7124 13.8893 13.8893 14.4146 14.4146 14.5219 14.5219 14.6785 14.6785 14.9657 14.9657 15.0367 15.0367 15.1442 15.1442 15.5509 15.5509 15.9432 15.9432 16.0669 16.0669 16.3936 16.3936 16.6871 16.6871 17.5579 17.5579 17.8837 17.8837 17.9980 17.9980 19.8782 19.8782 20.1546 20.1546 k =-0.1463 0.1493 0.2090 ( 3589 PWs) bands (ev): 4.0716 4.0716 5.8096 5.8096 9.2266 9.2266 9.3151 9.3151 9.5448 9.5448 10.0199 10.0199 10.1625 10.1625 10.2677 10.2677 10.5317 10.5317 10.8620 10.8620 10.9411 10.9411 11.3036 11.3036 11.5133 11.5133 11.6705 11.6705 11.8129 11.8129 11.9955 11.9955 12.3105 12.3105 12.4475 12.4475 12.7098 12.7098 13.0591 13.0591 13.2421 13.2421 13.3673 13.3673 13.6169 13.6169 13.7158 13.7158 13.8694 13.8694 14.3796 14.3796 14.5336 14.5336 14.6783 14.6783 14.9706 14.9706 15.0419 15.0419 15.1616 15.1616 15.5616 15.5616 15.9288 15.9288 16.0683 16.0683 16.3904 16.3904 16.6883 16.6883 17.5152 17.5152 17.8224 17.8224 17.8927 17.8927 19.8298 19.8298 20.1240 20.1240 k =-0.1377 0.1405 0.1967 ( 3589 PWs) bands (ev): 4.0237 4.0237 5.7997 5.7997 9.2138 9.2138 9.3693 9.3693 9.5745 9.5745 9.9945 9.9945 10.1804 10.1804 10.2903 10.2903 10.5777 10.5777 10.8179 10.8179 10.8961 10.8961 11.3230 11.3230 11.5170 11.5170 11.7045 11.7045 11.8402 11.8402 12.0080 12.0080 12.3463 12.3463 12.4825 12.4825 12.7528 12.7528 13.0805 13.0805 13.2235 13.2235 13.3670 13.3670 13.6300 13.6300 13.7183 13.7183 13.8497 13.8497 14.3427 14.3427 14.5443 14.5443 14.6731 14.6731 14.9708 14.9708 15.0449 15.0449 15.1813 15.1813 15.5450 15.5450 15.9170 15.9170 16.0802 16.0802 16.4014 16.4014 16.7003 16.7003 17.4712 17.4712 17.7385 17.7385 17.8130 17.8130 19.7448 19.7448 20.1166 20.1166 k =-0.1291 0.1317 0.1844 ( 3591 PWs) bands (ev): 3.9782 3.9782 5.7893 5.7893 9.1997 9.1997 9.4227 9.4227 9.6053 9.6053 9.9714 9.9714 10.1972 10.1972 10.3111 10.3111 10.6235 10.6235 10.7730 10.7730 10.8535 10.8535 11.3412 11.3412 11.5227 11.5227 11.7387 11.7387 11.8691 11.8691 12.0205 12.0205 12.3811 12.3811 12.5164 12.5164 12.7991 12.7991 13.0995 13.0995 13.2090 13.2090 13.3662 13.3662 13.6461 13.6461 13.7199 13.7199 13.8306 13.8306 14.3038 14.3038 14.5530 14.5530 14.6632 14.6632 14.9673 14.9673 15.0445 15.0445 15.2033 15.2033 15.5109 15.5109 15.8951 15.8951 16.1076 16.1076 16.4262 16.4262 16.7222 16.7222 17.4261 17.4261 17.6368 17.6368 17.7547 17.7547 19.6368 19.6368 20.1189 20.1189 k =-0.1205 0.1229 0.1721 ( 3591 PWs) bands (ev): 3.9352 3.9352 5.7786 5.7786 9.1850 9.1850 9.4745 9.4745 9.6368 9.6368 9.9513 9.9513 10.2127 10.2127 10.3299 10.3299 10.6644 10.6644 10.7283 10.7283 10.8177 10.8177 11.3573 11.3573 11.5307 11.5307 11.7721 11.7721 11.8977 11.8977 12.0360 12.0360 12.4145 12.4145 12.5488 12.5488 12.8480 12.8480 13.1138 13.1138 13.2015 13.2015 13.3652 13.3652 13.6646 13.6646 13.7206 13.7206 13.8129 13.8129 14.2631 14.2631 14.5577 14.5577 14.6502 14.6502 14.9591 14.9591 15.0416 15.0416 15.2263 15.2263 15.4714 15.4714 15.8620 15.8620 16.1431 16.1431 16.4629 16.4629 16.7537 16.7537 17.3802 17.3802 17.5334 17.5334 17.7030 17.7030 19.5156 19.5156 20.1212 20.1212 k =-0.1119 0.1141 0.1598 ( 3597 PWs) bands (ev): 3.8950 3.8950 5.7678 5.7678 9.1702 9.1702 9.5246 9.5246 9.6686 9.6686 9.9344 9.9344 10.2268 10.2268 10.3465 10.3465 10.6723 10.6723 10.6984 10.6984 10.8021 10.8021 11.3706 11.3706 11.5411 11.5411 11.8032 11.8032 11.9243 11.9243 12.0577 12.0577 12.4459 12.4459 12.5792 12.5792 12.8985 12.8985 13.1210 13.1210 13.2037 13.2037 13.3647 13.3647 13.6845 13.6845 13.7206 13.7206 13.7974 13.7974 14.2205 14.2205 14.5548 14.5548 14.6374 14.6374 14.9436 14.9436 15.0383 15.0383 15.2480 15.2480 15.4369 15.4369 15.8224 15.8224 16.1778 16.1778 16.5070 16.5070 16.7946 16.7946 17.3343 17.3343 17.4336 17.4336 17.6546 17.6546 19.3866 19.3866 20.1184 20.1184 k =-0.1033 0.1054 0.1475 ( 3599 PWs) bands (ev): 3.8574 3.8574 5.7571 5.7571 9.1554 9.1554 9.5727 9.5727 9.7004 9.7004 9.9210 9.9210 10.2392 10.2392 10.3607 10.3607 10.6300 10.6300 10.6840 10.6840 10.8235 10.8235 11.3809 11.3809 11.5537 11.5537 11.8300 11.8300 11.9484 11.9484 12.0879 12.0879 12.4746 12.4746 12.6075 12.6075 12.9498 12.9498 13.1214 13.1214 13.2152 13.2152 13.3649 13.3649 13.7010 13.7010 13.7240 13.7240 13.7850 13.7850 14.1763 14.1763 14.5402 14.5402 14.6288 14.6288 14.9188 14.9188 15.0363 15.0363 15.2654 15.2654 15.4148 15.4148 15.7804 15.7804 16.2081 16.2081 16.5529 16.5529 16.8435 16.8435 17.2894 17.2894 17.3410 17.3410 17.6089 17.6089 19.2529 19.2529 20.1082 20.1082 k =-0.0947 0.0966 0.1353 ( 3601 PWs) bands (ev): 3.8226 3.8226 5.7466 5.7466 9.1410 9.1410 9.6184 9.6184 9.7318 9.7318 9.9113 9.9113 10.2500 10.2500 10.3725 10.3725 10.5841 10.5841 10.6551 10.6551 10.8658 10.8658 11.3883 11.3883 11.5673 11.5673 11.8502 11.8502 11.9724 11.9724 12.1263 12.1263 12.5001 12.5001 12.6339 12.6339 13.0012 13.0012 13.1191 13.1191 13.2319 13.2319 13.3662 13.3662 13.7030 13.7030 13.7413 13.7413 13.7765 13.7765 14.1304 14.1304 14.5129 14.5129 14.6251 14.6251 14.8850 14.8850 15.0362 15.0362 15.2763 15.2763 15.4095 15.4095 15.7385 15.7385 16.2335 16.2335 16.5949 16.5949 16.8947 16.8947 17.2419 17.2419 17.2673 17.2673 17.5666 17.5666 19.1169 19.1169 20.0911 20.0911 k =-0.0861 0.0878 0.1230 ( 3605 PWs) bands (ev): 3.7906 3.7906 5.7365 5.7365 9.1271 9.1271 9.6617 9.6617 9.7626 9.7626 9.9052 9.9052 10.2589 10.2589 10.3813 10.3813 10.5393 10.5393 10.6227 10.6227 10.9139 10.9139 11.3932 11.3932 11.5805 11.5805 11.8633 11.8633 11.9988 11.9988 12.1707 12.1707 12.5219 12.5219 12.6584 12.6584 13.0519 13.0519 13.1174 13.1174 13.2504 13.2504 13.3686 13.3686 13.6973 13.6973 13.7649 13.7649 13.7728 13.7728 14.0832 14.0832 14.4759 14.4759 14.6233 14.6233 14.8449 14.8449 15.0377 15.0377 15.2819 15.2819 15.4189 15.4189 15.6983 15.6983 16.2545 16.2545 16.6291 16.6291 16.9333 16.9333 17.1816 17.1816 17.2383 17.2383 17.5286 17.5286 18.9807 18.9807 20.0688 20.0688 k =-0.0775 0.0790 0.1107 ( 3605 PWs) bands (ev): 3.7616 3.7616 5.7269 5.7269 9.1140 9.1140 9.7022 9.7022 9.7923 9.7923 9.9029 9.9029 10.2659 10.2659 10.3858 10.3858 10.4978 10.4978 10.5908 10.5908 10.9633 10.9633 11.3964 11.3964 11.5916 11.5916 11.8711 11.8711 12.0278 12.0278 12.2186 12.2186 12.5396 12.5396 12.6812 12.6812 13.0991 13.0991 13.1202 13.1202 13.2688 13.2688 13.3719 13.3719 13.6899 13.6899 13.7688 13.7688 13.7937 13.7937 14.0350 14.0350 14.4319 14.4319 14.6207 14.6207 14.8018 14.8018 15.0406 15.0406 15.2866 15.2866 15.4369 15.4369 15.6612 15.6612 16.2717 16.2717 16.6523 16.6523 16.9385 16.9385 17.1366 17.1366 17.2464 17.2464 17.4974 17.4974 18.8460 18.8460 20.0436 20.0436 k =-0.0689 0.0702 0.0984 ( 3605 PWs) bands (ev): 3.7354 3.7354 5.7180 5.7180 9.1017 9.1017 9.7397 9.7397 9.8205 9.8205 9.9043 9.9043 10.2708 10.2708 10.3820 10.3820 10.4643 10.4643 10.5606 10.5606 11.0125 11.0125 11.3983 11.3983 11.5988 11.5988 11.8764 11.8764 12.0583 12.0583 12.2678 12.2678 12.5534 12.5534 12.7024 12.7024 13.1166 13.1166 13.1540 13.1540 13.2858 13.2858 13.3758 13.3758 13.6826 13.6826 13.7690 13.7690 13.8213 13.8213 13.9866 13.9866 14.3827 14.3827 14.6160 14.6160 14.7586 14.7586 15.0445 15.0445 15.2929 15.2929 15.4578 15.4578 15.6287 15.6287 16.2853 16.2853 16.6612 16.6612 16.9108 16.9108 17.1121 17.1121 17.2825 17.2825 17.4790 17.4790 18.7143 18.7143 20.0174 20.0174 k =-0.0603 0.0615 0.0861 ( 3609 PWs) bands (ev): 3.7123 3.7123 5.7099 5.7099 9.0905 9.0905 9.7739 9.7739 9.8466 9.8466 9.9095 9.9095 10.2737 10.2737 10.3642 10.3642 10.4452 10.4452 10.5330 10.5330 11.0605 11.0605 11.3993 11.3993 11.6009 11.6009 11.8815 11.8815 12.0887 12.0887 12.3165 12.3165 12.5632 12.5632 12.7221 12.7221 13.1239 13.1239 13.1996 13.1996 13.3006 13.3006 13.3799 13.3799 13.6760 13.6760 13.7704 13.7704 13.8491 13.8491 13.9391 13.9391 14.3302 14.3302 14.6087 14.6087 14.7178 14.7178 15.0493 15.0493 15.3015 15.3015 15.4769 15.4769 15.6029 15.6029 16.2950 16.2950 16.6539 16.6539 16.8716 16.8716 17.1052 17.1052 17.3152 17.3152 17.4882 17.4882 18.5875 18.5875 19.9911 19.9911 k =-0.0516 0.0527 0.0738 ( 3613 PWs) bands (ev): 3.6922 3.6922 5.7027 5.7027 9.0804 9.0804 9.8046 9.8046 9.8698 9.8698 9.9184 9.9184 10.2744 10.2744 10.3349 10.3349 10.4384 10.4384 10.5086 10.5086 11.1068 11.1068 11.4000 11.4000 11.5970 11.5970 11.8879 11.8879 12.1177 12.1177 12.3629 12.3629 12.5693 12.5693 12.7405 12.7405 13.1345 13.1345 13.2430 13.2430 13.3127 13.3127 13.3836 13.3836 13.6696 13.6696 13.7727 13.7727 13.8759 13.8759 13.8947 13.8947 14.2762 14.2762 14.5986 14.5986 14.6812 14.6812 15.0547 15.0547 15.3120 15.3120 15.4888 15.4888 15.5880 15.5880 16.3003 16.3003 16.6333 16.6333 16.8334 16.8334 17.1144 17.1144 17.3213 17.3213 17.5341 17.5341 18.4673 18.4673 19.9652 19.9652 k =-0.0430 0.0439 0.0615 ( 3613 PWs) bands (ev): 3.6751 3.6751 5.6964 5.6964 9.0717 9.0717 9.8315 9.8315 9.8898 9.8898 9.9304 9.9304 10.2723 10.2723 10.3033 10.3033 10.4358 10.4358 10.4885 10.4885 11.1505 11.1505 11.4006 11.4006 11.5874 11.5874 11.8955 11.8955 12.1443 12.1443 12.4052 12.4052 12.5720 12.5720 12.7577 12.7577 13.1494 13.1494 13.2822 13.2822 13.3219 13.3219 13.3868 13.3868 13.6621 13.6621 13.7750 13.7750 13.8550 13.8550 13.9022 13.9022 14.2230 14.2230 14.5856 14.5856 14.6503 14.6503 15.0604 15.0604 15.3237 15.3237 15.4887 15.4887 15.5877 15.5877 16.3007 16.3007 16.6064 16.6064 16.7995 16.7995 17.1366 17.1366 17.3108 17.3108 17.5988 17.5988 18.3560 18.3560 19.9399 19.9399 k =-0.0344 0.0351 0.0492 ( 3609 PWs) bands (ev): 3.6611 3.6611 5.6912 5.6912 9.0644 9.0644 9.8543 9.8543 9.9067 9.9067 9.9440 9.9440 10.2619 10.2619 10.2802 10.2802 10.4328 10.4328 10.4739 10.4739 11.1908 11.1908 11.4015 11.4015 11.5733 11.5733 11.9039 11.9039 12.1675 12.1675 12.4425 12.4425 12.5715 12.5715 12.7734 12.7734 13.1685 13.1685 13.3129 13.3129 13.3309 13.3309 13.3891 13.3891 13.6523 13.6523 13.7763 13.7763 13.8251 13.8251 13.9256 13.9256 14.1730 14.1730 14.5703 14.5703 14.6262 14.6262 15.0660 15.0660 15.3359 15.3359 15.4793 15.4793 15.5981 15.5981 16.2961 16.2961 16.5806 16.5806 16.7703 16.7703 17.1668 17.1668 17.2968 17.2968 17.6639 17.6639 18.2566 18.2566 19.9157 19.9157 k =-0.0258 0.0263 0.0369 ( 3605 PWs) bands (ev): 3.6501 3.6501 5.6870 5.6870 9.0587 9.0587 9.8729 9.8729 9.9208 9.9208 9.9571 9.9571 10.2387 10.2387 10.2728 10.2728 10.4277 10.4277 10.4655 10.4655 11.2261 11.2261 11.4031 11.4031 11.5564 11.5564 11.9118 11.9118 12.1867 12.1867 12.4739 12.4739 12.5680 12.5680 12.7872 12.7872 13.1913 13.1913 13.3221 13.3221 13.3506 13.3506 13.3899 13.3899 13.6401 13.6401 13.7756 13.7756 13.8067 13.8067 13.9455 13.9455 14.1290 14.1290 14.5545 14.5545 14.6086 14.6086 15.0710 15.0710 15.3475 15.3475 15.4672 15.4672 15.6119 15.6119 16.2876 16.2876 16.5603 16.5603 16.7464 16.7464 17.1985 17.1985 17.2858 17.2858 17.7196 17.7196 18.1728 18.1728 19.8936 19.8936 k =-0.0172 0.0176 0.0246 ( 3601 PWs) bands (ev): 3.6423 3.6423 5.6841 5.6841 9.0545 9.0545 9.8868 9.8868 9.9319 9.9319 9.9678 9.9678 10.2177 10.2177 10.2689 10.2689 10.4218 10.4218 10.4617 10.4617 11.2545 11.2545 11.4054 11.4054 11.5393 11.5393 11.9184 11.9184 12.2009 12.2009 12.4995 12.4995 12.5618 12.5618 12.7981 12.7981 13.2162 13.2162 13.3194 13.3194 13.3693 13.3693 13.3893 13.3893 13.6281 13.6281 13.7741 13.7741 13.7978 13.7978 13.9609 13.9609 14.0942 14.0942 14.5409 14.5409 14.5968 14.5968 15.0749 15.0749 15.3577 15.3577 15.4562 15.4562 15.6242 15.6242 16.2779 16.2779 16.5468 16.5468 16.7287 16.7287 17.2230 17.2230 17.2826 17.2826 17.7600 17.7600 18.1098 18.1098 19.8753 19.8753 k =-0.0086 0.0088 0.0123 ( 3597 PWs) bands (ev): 3.6376 3.6376 5.6823 5.6823 9.0520 9.0520 9.8954 9.8954 9.9391 9.9391 9.9748 9.9748 10.2038 10.2038 10.2663 10.2663 10.4174 10.4174 10.4602 10.4602 11.2733 11.2733 11.4082 11.4082 11.5259 11.5259 11.9226 11.9226 12.2097 12.2097 12.5194 12.5194 12.5531 12.5531 12.8052 12.8052 13.2390 13.2390 13.3119 13.3119 13.3795 13.3795 13.3888 13.3888 13.6198 13.6198 13.7744 13.7744 13.7930 13.7930 13.9706 13.9706 14.0716 14.0716 14.5317 14.5317 14.5899 14.5899 15.0773 15.0773 15.3648 15.3648 15.4485 15.4485 15.6325 15.6325 16.2703 16.2703 16.5394 16.5394 16.7177 16.7177 17.2336 17.2336 17.2884 17.2884 17.7824 17.7824 18.0716 18.0716 19.8630 19.8631 k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): 3.6361 3.6361 5.6817 5.6817 9.0511 9.0511 9.8984 9.8984 9.9416 9.9416 9.9773 9.9773 10.1989 10.1989 10.2654 10.2654 10.4159 10.4159 10.4599 10.4599 11.2799 11.2799 11.4095 11.4095 11.5206 11.5206 11.9241 11.9241 12.2127 12.2127 12.5298 12.5298 12.5464 12.5464 12.8077 12.8077 13.2499 13.2499 13.3066 13.3066 13.3816 13.3816 13.3894 13.3894 13.6170 13.6170 13.7752 13.7752 13.7910 13.7910 13.9739 13.9739 14.0638 14.0638 14.5285 14.5285 14.5877 14.5877 15.0782 15.0782 15.3675 15.3675 15.4456 15.4456 15.6354 15.6354 16.2674 16.2674 16.5370 16.5370 16.7140 16.7140 17.2355 17.2355 17.2927 17.2927 17.7892 17.7892 18.0591 18.0591 19.8587 19.8587 k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): 3.6361 3.6361 5.6817 5.6817 9.0511 9.0511 9.8984 9.8984 9.9416 9.9416 9.9773 9.9773 10.1989 10.1989 10.2654 10.2654 10.4159 10.4159 10.4599 10.4599 11.2799 11.2799 11.4095 11.4095 11.5206 11.5206 11.9241 11.9241 12.2127 12.2127 12.5298 12.5298 12.5464 12.5464 12.8077 12.8077 13.2499 13.2499 13.3066 13.3066 13.3816 13.3816 13.3894 13.3894 13.6170 13.6170 13.7752 13.7752 13.7910 13.7910 13.9739 13.9739 14.0638 14.0638 14.5285 14.5285 14.5877 14.5877 15.0782 15.0782 15.3675 15.3675 15.4456 15.4456 15.6354 15.6354 16.2674 16.2674 16.5370 16.5370 16.7140 16.7140 17.2355 17.2355 17.2927 17.2927 17.7892 17.7892 18.0591 18.0591 19.8587 19.8587 k = 0.0125 0.0123 0.0000 ( 3599 PWs) bands (ev): 3.6377 3.6377 5.6819 5.6819 9.0515 9.0515 9.8988 9.8988 9.9410 9.9410 9.9771 9.9771 10.1983 10.1983 10.2664 10.2664 10.4159 10.4159 10.4609 10.4609 11.2798 11.2798 11.4083 11.4083 11.5209 11.5209 11.9193 11.9193 12.2110 12.2110 12.5256 12.5256 12.5461 12.5461 12.8055 12.8055 13.2198 13.2198 13.3369 13.3369 13.3817 13.3817 13.3932 13.3932 13.6122 13.6122 13.7501 13.7501 13.8151 13.8151 13.9772 13.9772 14.0660 14.0660 14.5338 14.5338 14.5888 14.5888 15.0761 15.0761 15.3624 15.3624 15.4510 15.4510 15.6282 15.6282 16.2677 16.2677 16.5352 16.5352 16.7139 16.7139 17.2412 17.2412 17.2964 17.2964 17.7827 17.7827 18.0631 18.0631 19.8675 19.8675 k = 0.0250 0.0245 0.0000 ( 3591 PWs) bands (ev): 3.6428 3.6428 5.6827 5.6827 9.0527 9.0527 9.8997 9.8997 9.9393 9.9393 9.9769 9.9769 10.1963 10.1963 10.2692 10.2692 10.4159 10.4159 10.4638 10.4638 11.2795 11.2795 11.4047 11.4047 11.5220 11.5220 11.9051 11.9051 12.2059 12.2059 12.5133 12.5133 12.5455 12.5455 12.7991 12.7991 13.1738 13.1738 13.3764 13.3764 13.3833 13.3833 13.4095 13.4095 13.5980 13.5980 13.7190 13.7190 13.8415 13.8415 13.9891 13.9891 14.0722 14.0722 14.5493 14.5493 14.5920 14.5920 15.0699 15.0699 15.3498 15.3498 15.4642 15.4642 15.6074 15.6074 16.2683 16.2683 16.5291 16.5291 16.7148 16.7148 17.2577 17.2577 17.3075 17.3075 17.7633 17.7633 18.0751 18.0751 19.8931 19.8931 k = 0.0375 0.0368 0.0000 ( 3607 PWs) bands (ev): 3.6512 3.6512 5.6839 5.6839 9.0546 9.0546 9.9008 9.9008 9.9363 9.9363 9.9769 9.9769 10.1931 10.1931 10.2736 10.2736 10.4159 10.4159 10.4689 10.4689 11.2790 11.2790 11.3989 11.3989 11.5235 11.5235 11.8817 11.8817 12.1976 12.1976 12.4946 12.4946 12.5442 12.5442 12.7891 12.7891 13.1284 13.1284 13.3658 13.3658 13.4287 13.4287 13.4364 13.4364 13.5756 13.5756 13.6882 13.6882 13.8604 13.8604 14.0135 14.0135 14.0818 14.0818 14.5743 14.5743 14.5971 14.5971 15.0595 15.0595 15.3339 15.3339 15.4811 15.4811 15.5748 15.5748 16.2681 16.2681 16.5171 16.5171 16.7198 16.7198 17.2836 17.2836 17.3258 17.3258 17.7316 17.7316 18.0953 18.0953 19.9337 19.9337 k = 0.0500 0.0490 0.0000 ( 3607 PWs) bands (ev): 3.6629 3.6629 5.6857 5.6857 9.0570 9.0570 9.9014 9.9014 9.9322 9.9322 9.9780 9.9780 10.1886 10.1886 10.2793 10.2793 10.4159 10.4159 10.4764 10.4764 11.2785 11.2785 11.3910 11.3910 11.5254 11.5254 11.8501 11.8501 12.1861 12.1861 12.4713 12.4713 12.5420 12.5420 12.7765 12.7765 13.0859 13.0859 13.3508 13.3508 13.4690 13.4690 13.4711 13.4711 13.5461 13.5461 13.6581 13.6581 13.8716 13.8716 14.0513 14.0513 14.0943 14.0943 14.6035 14.6035 14.6074 14.6074 15.0449 15.0449 15.3168 15.3168 15.4997 15.4997 15.5334 15.5334 16.2659 16.2659 16.4981 16.4981 16.7321 16.7321 17.3171 17.3171 17.3510 17.3510 17.6890 17.6890 18.1234 18.1234 19.9862 19.9862 k = 0.0625 0.0613 0.0000 ( 3599 PWs) bands (ev): 3.6780 3.6780 5.6880 5.6880 9.0598 9.0598 9.9003 9.9003 9.9269 9.9269 9.9811 9.9811 10.1829 10.1829 10.2859 10.2859 10.4159 10.4159 10.4866 10.4866 11.2779 11.2779 11.3808 11.3808 11.5273 11.5273 11.8111 11.8111 12.1715 12.1715 12.4455 12.4455 12.5387 12.5387 12.7625 12.7625 13.0471 13.0471 13.3313 13.3313 13.5033 13.5033 13.5088 13.5088 13.5110 13.5110 13.6295 13.6295 13.8788 13.8788 14.0995 14.0995 14.1089 14.1089 14.6106 14.6106 14.6474 14.6474 15.0261 15.0261 15.2995 15.2995 15.4858 15.4858 15.5190 15.5190 16.2610 16.2610 16.4721 16.4721 16.7532 16.7532 17.3565 17.3565 17.3825 17.3825 17.6376 17.6376 18.1588 18.1588 20.0471 20.0471 k = 0.0750 0.0735 0.0000 ( 3595 PWs) bands (ev): 3.6963 3.6963 5.6908 5.6908 9.0627 9.0627 9.8967 9.8967 9.9204 9.9204 9.9870 9.9870 10.1762 10.1762 10.2928 10.2928 10.4158 10.4158 10.4999 10.4999 11.2774 11.2774 11.3682 11.3682 11.5290 11.5290 11.7662 11.7662 12.1542 12.1542 12.4190 12.4190 12.5340 12.5340 12.7482 12.7482 13.0119 13.0119 13.3075 13.3075 13.4709 13.4709 13.5263 13.5263 13.5491 13.5491 13.6041 13.6041 13.8866 13.8866 14.1257 14.1257 14.1545 14.1545 14.6170 14.6170 14.6927 14.6927 15.0034 15.0034 15.2827 15.2827 15.4352 15.4352 15.5384 15.5384 16.2532 16.2532 16.4406 16.4406 16.7834 16.7834 17.4005 17.4005 17.4188 17.4188 17.5802 17.5802 18.2004 18.2004 20.1125 20.1125 k = 0.0875 0.0858 0.0000 ( 3595 PWs) bands (ev): 3.7180 3.7180 5.6942 5.6942 9.0654 9.0654 9.8902 9.8902 9.9126 9.9126 9.9963 9.9963 10.1684 10.1684 10.2995 10.2995 10.4158 10.4158 10.5166 10.5166 11.2771 11.2771 11.3526 11.3526 11.5302 11.5302 11.7176 11.7176 12.1344 12.1344 12.3931 12.3931 12.5278 12.5278 12.7349 12.7349 12.9798 12.9798 13.2792 13.2792 13.4275 13.4275 13.5316 13.5316 13.5880 13.5880 13.5885 13.5885 13.8977 13.8977 14.1444 14.1444 14.2135 14.2135 14.6210 14.6210 14.7416 14.7416 14.9777 14.9777 15.2672 15.2672 15.3841 15.3841 15.5577 15.5577 16.2425 16.2425 16.4052 16.4052 16.8225 16.8225 17.4477 17.4477 17.4536 17.4536 17.5243 17.5243 18.2471 18.2471 20.1793 20.1793 k = 0.1000 0.0980 0.0000 ( 3595 PWs) bands (ev): 3.7429 3.7429 5.6981 5.6981 9.0674 9.0674 9.8807 9.8807 9.9037 9.9037 10.0087 10.0087 10.1599 10.1599 10.3055 10.3055 10.4159 10.4159 10.5371 10.5371 11.2772 11.2772 11.3328 11.3328 11.5303 11.5303 11.6682 11.6682 12.1126 12.1126 12.3689 12.3689 12.5204 12.5204 12.7231 12.7231 12.9503 12.9503 13.2467 13.2467 13.3811 13.3811 13.5170 13.5170 13.5841 13.5841 13.6246 13.6246 13.9131 13.9131 14.1652 14.1652 14.2746 14.2746 14.6199 14.6199 14.7921 14.7921 14.9505 14.9505 15.2540 15.2540 15.3349 15.3349 15.5765 15.5765 16.2299 16.2299 16.3671 16.3671 16.8703 16.8703 17.4337 17.4337 17.4975 17.4975 17.5238 17.5238 18.2980 18.2980 20.2452 20.2452 k = 0.1125 0.1103 0.0000 ( 3591 PWs) bands (ev): 3.7710 3.7710 5.7025 5.7025 9.0683 9.0683 9.8685 9.8685 9.8935 9.8935 10.0241 10.0241 10.1511 10.1511 10.3105 10.3105 10.4160 10.4160 10.5615 10.5615 11.2778 11.2778 11.3071 11.3071 11.5276 11.5276 11.6226 11.6226 12.0893 12.0893 12.3470 12.3470 12.5119 12.5119 12.7128 12.7128 12.9227 12.9227 13.2101 13.2101 13.3326 13.3326 13.4941 13.4941 13.5822 13.5822 13.6562 13.6562 13.9325 13.9325 14.1879 14.1879 14.3363 14.3363 14.6103 14.6103 14.8415 14.8415 14.9245 14.9245 15.2447 15.2447 15.2893 15.2893 15.5950 15.5950 16.2162 16.2162 16.3276 16.3276 16.9264 16.9264 17.3699 17.3699 17.5491 17.5491 17.5688 17.5688 18.3520 18.3520 20.3097 20.3097 k = 0.1250 0.1225 0.0000 ( 3591 PWs) bands (ev): 3.8023 3.8023 5.7075 5.7075 9.0675 9.0675 9.8538 9.8538 9.8819 9.8819 10.0419 10.0419 10.1423 10.1423 10.3144 10.3144 10.4164 10.4164 10.5898 10.5898 11.2731 11.2731 11.2790 11.2790 11.5183 11.5183 11.5885 11.5885 12.0650 12.0650 12.3278 12.3278 12.5031 12.5031 12.7037 12.7037 12.8966 12.8966 13.1697 13.1697 13.2823 13.2823 13.4698 13.4698 13.5776 13.5776 13.6818 13.6818 13.9547 13.9547 14.2121 14.2121 14.3974 14.3974 14.5888 14.5888 14.8860 14.8860 14.9021 14.9021 15.2416 15.2416 15.2488 15.2488 15.6131 15.6131 16.2026 16.2026 16.2877 16.2877 16.9906 16.9906 17.3014 17.3014 17.6019 17.6019 17.6203 17.6203 18.4084 18.4084 20.3733 20.3733 k = 0.1375 0.1348 0.0000 ( 3583 PWs) bands (ev): 3.8367 3.8367 5.7130 5.7130 9.0643 9.0643 9.8369 9.8369 9.8690 9.8690 10.0618 10.0618 10.1343 10.1343 10.3172 10.3172 10.4171 10.4171 10.6219 10.6219 11.2290 11.2290 11.2809 11.2809 11.4995 11.4995 11.5718 11.5718 12.0403 12.0403 12.3114 12.3114 12.4945 12.4945 12.6947 12.6947 12.8718 12.8718 13.1259 13.1259 13.2305 13.2305 13.4463 13.4463 13.5704 13.5704 13.7011 13.7011 13.9783 13.9783 14.2368 14.2368 14.4571 14.4571 14.5538 14.5538 14.8844 14.8844 14.9213 14.9213 15.2145 15.2145 15.2480 15.2480 15.6307 15.6307 16.1903 16.1903 16.2485 16.2485 17.0628 17.0628 17.2328 17.2328 17.6557 17.6557 17.6742 17.6742 18.4665 18.4665 20.4372 20.4372 k = 0.1500 0.1470 0.0000 ( 3583 PWs) bands (ev): 3.8742 3.8742 5.7190 5.7190 9.0580 9.0580 9.8178 9.8178 9.8547 9.8547 10.0825 10.0825 10.1288 10.1288 10.3189 10.3189 10.4182 10.4182 10.6572 10.6572 11.1748 11.1748 11.2836 11.2836 11.4780 11.4780 11.5671 11.5671 12.0158 12.0158 12.2979 12.2979 12.4866 12.4866 12.6846 12.6846 12.8487 12.8487 13.0792 13.0792 13.1776 13.1776 13.4242 13.4242 13.5622 13.5622 13.7138 13.7138 14.0021 14.0021 14.2610 14.2610 14.5067 14.5067 14.5146 14.5146 14.8695 14.8695 14.9432 14.9432 15.1870 15.1870 15.2661 15.2661 15.6481 15.6481 16.1808 16.1808 16.2112 16.2112 17.1427 17.1427 17.1653 17.1653 17.7101 17.7101 17.7293 17.7293 18.5259 18.5259 20.5025 20.5025 k = 0.1625 0.1593 0.0000 ( 3583 PWs) bands (ev): 3.9148 3.9148 5.7256 5.7256 9.0478 9.0478 9.7967 9.7967 9.8390 9.8390 10.0992 10.0992 10.1310 10.1310 10.3198 10.3198 10.4198 10.4198 10.6950 10.6950 11.1124 11.1124 11.2873 11.2873 11.4603 11.4603 11.5673 11.5673 11.9919 11.9919 12.2870 12.2870 12.4796 12.4796 12.6719 12.6719 12.8280 12.8280 13.0302 13.0302 13.1235 13.1235 13.4036 13.4036 13.5544 13.5544 13.7202 13.7202 14.0253 14.0253 14.2832 14.2832 14.4505 14.4505 14.5691 14.5691 14.8538 14.8538 14.9511 14.9511 15.1669 15.1669 15.2947 15.2947 15.6650 15.6650 16.1753 16.1753 16.1777 16.1777 17.0999 17.0999 17.2300 17.2300 17.7648 17.7648 17.7849 17.7849 18.5859 18.5859 20.5704 20.5704 k = 0.1750 0.1716 0.0000 ( 3587 PWs) bands (ev): 3.9583 3.9583 5.7328 5.7328 9.0328 9.0328 9.7737 9.7737 9.8218 9.8218 10.1047 10.1047 10.1487 10.1487 10.3201 10.3201 10.4222 10.4222 10.7341 10.7341 11.0456 11.0456 11.2918 11.2918 11.4475 11.4475 11.5698 11.5698 11.9691 11.9691 12.2785 12.2785 12.4735 12.4735 12.6553 12.6553 12.8104 12.8104 12.9794 12.9794 13.0685 13.0685 13.3840 13.3840 13.5485 13.5485 13.7205 13.7205 14.0473 14.0473 14.3018 14.3018 14.3891 14.3891 14.6201 14.6201 14.8341 14.8341 14.9475 14.9475 15.1534 15.1534 15.3293 15.3293 15.6809 15.6809 16.1498 16.1498 16.1757 16.1757 17.0375 17.0375 17.3244 17.3244 17.8197 17.8197 17.8407 17.8407 18.6463 18.6463 20.6417 20.6417 k = 0.1875 0.1838 0.0000 ( 3587 PWs) bands (ev): 4.0047 4.0047 5.7404 5.7404 9.0125 9.0125 9.7491 9.7491 9.8031 9.8031 10.1061 10.1061 10.1753 10.1753 10.3200 10.3200 10.4255 10.4255 10.7704 10.7704 10.9801 10.9801 11.2973 11.2973 11.4390 11.4390 11.5736 11.5736 11.9478 11.9478 12.2722 12.2722 12.4685 12.4685 12.6341 12.6341 12.7967 12.7967 12.9275 12.9275 13.0129 13.0129 13.3651 13.3651 13.5457 13.5457 13.7151 13.7151 14.0679 14.0679 14.3071 14.3071 14.3341 14.3341 14.6664 14.6664 14.8089 14.8089 14.9364 14.9364 15.1447 15.1447 15.3642 15.3642 15.6937 15.6937 16.1319 16.1319 16.1826 16.1826 16.9786 16.9786 17.4255 17.4255 17.8747 17.8747 17.8963 17.8963 18.7068 18.7068 20.7171 20.7171 k = 0.2000 0.1961 0.0000 ( 3587 PWs) bands (ev): 4.0539 4.0539 5.7486 5.7486 8.9861 8.9861 9.7230 9.7230 9.7830 9.7830 10.1091 10.1091 10.2056 10.2056 10.3197 10.3197 10.4299 10.4299 10.7896 10.7896 10.9322 10.9322 11.3037 11.3037 11.4339 11.4339 11.5783 11.5783 11.9282 11.9282 12.2676 12.2676 12.4640 12.4640 12.6089 12.6089 12.7864 12.7864 12.8750 12.8750 12.9567 12.9567 13.3466 13.3466 13.5468 13.5468 13.7038 13.7038 14.0869 14.0869 14.2536 14.2536 14.3332 14.3332 14.7066 14.7066 14.7780 14.7780 14.9219 14.9219 15.1381 15.1381 15.3950 15.3950 15.7006 15.7006 16.1279 16.1279 16.1969 16.1969 16.9238 16.9238 17.5329 17.5329 17.9298 17.9298 17.9514 17.9514 18.7670 18.7670 20.7969 20.7969 k = 0.2125 0.2083 0.0000 ( 3603 PWs) bands (ev): 4.1058 4.1058 5.7572 5.7572 8.9532 8.9532 9.6955 9.6955 9.7615 9.7615 10.1154 10.1154 10.2382 10.2382 10.3191 10.3191 10.4354 10.4354 10.7615 10.7615 10.9329 10.9329 11.3109 11.3109 11.4317 11.4317 11.5837 11.5837 11.9105 11.9105 12.2641 12.2641 12.4593 12.4593 12.5812 12.5812 12.7789 12.7789 12.8226 12.8226 12.9005 12.9005 13.3283 13.3283 13.5523 13.5523 13.6863 13.6863 14.1042 14.1042 14.1907 14.1907 14.3386 14.3386 14.7374 14.7374 14.7424 14.7424 14.9090 14.9090 15.1308 15.1308 15.4191 15.4191 15.6980 15.6980 16.1416 16.1416 16.2187 16.2187 16.8739 16.8739 17.6459 17.6459 17.9850 17.9850 18.0060 18.0060 18.8268 18.8268 20.8815 20.8815 k = 0.2250 0.2206 0.0000 ( 3611 PWs) bands (ev): 4.1603 4.1603 5.7663 5.7663 8.9136 8.9136 9.6670 9.6670 9.7388 9.7388 10.1256 10.1256 10.2726 10.2726 10.3181 10.3181 10.4424 10.4424 10.7002 10.7002 10.9693 10.9693 11.3189 11.3189 11.4318 11.4318 11.5896 11.5896 11.8949 11.8949 12.2609 12.2609 12.4533 12.4533 12.5533 12.5533 12.7708 12.7708 12.7732 12.7732 12.8449 12.8449 13.3104 13.3104 13.5623 13.5623 13.6623 13.6623 14.1198 14.1198 14.1308 14.1308 14.3398 14.3398 14.7027 14.7027 14.7532 14.7532 14.9042 14.9042 15.1208 15.1208 15.4355 15.4355 15.6847 15.6847 16.1736 16.1736 16.2475 16.2475 16.8297 16.8297 17.7640 17.7640 18.0406 18.0406 18.0600 18.0600 18.8859 18.8859 20.9710 20.9710 k = 0.2375 0.2328 0.0000 ( 3595 PWs) bands (ev): 4.2173 4.2173 5.7759 5.7759 8.8672 8.8672 9.6377 9.6377 9.7150 9.7150 10.1399 10.1399 10.3087 10.3087 10.3160 10.3160 10.4510 10.4510 10.6312 10.6312 11.0168 11.0168 11.3274 11.3274 11.4340 11.4340 11.5959 11.5959 11.8815 11.8815 12.2572 12.2572 12.4433 12.4433 12.5287 12.5287 12.7197 12.7197 12.7685 12.7685 12.7907 12.7907 13.2932 13.2932 13.5765 13.5765 13.6311 13.6311 14.0759 14.0759 14.1338 14.1338 14.3366 14.3366 14.6600 14.6600 14.7495 14.7495 14.9128 14.9128 15.1068 15.1068 15.4442 15.4442 15.6624 15.6624 16.2214 16.2214 16.2817 16.2817 16.7923 16.7923 17.8862 17.8862 18.0971 18.0971 18.1135 18.1135 18.9443 18.9443 21.0656 21.0656 k = 0.2500 0.2451 0.0000 ( 3603 PWs) bands (ev): 4.2767 4.2767 5.7858 5.7858 8.8142 8.8142 9.6078 9.6078 9.6902 9.6902 10.1582 10.1582 10.3115 10.3115 10.3459 10.3459 10.4616 10.4616 10.5635 10.5635 11.0681 11.0681 11.3364 11.3364 11.4379 11.4379 11.6024 11.6024 11.8704 11.8704 12.2516 12.2516 12.4264 12.4264 12.5113 12.5113 12.6694 12.6694 12.7397 12.7397 12.7642 12.7642 13.2772 13.2772 13.5926 13.5926 13.5946 13.5946 14.0274 14.0274 14.1464 14.1464 14.3289 14.3289 14.6150 14.6150 14.7297 14.7297 14.9316 14.9316 15.0881 15.0881 15.4454 15.4454 15.6342 15.6342 16.2806 16.2806 16.3185 16.3185 16.7634 16.7634 18.0105 18.0105 18.1562 18.1562 18.1665 18.1665 19.0018 19.0018 21.1651 21.1651 k = 0.2625 0.2573 0.0000 ( 3587 PWs) bands (ev): 4.3382 4.3382 5.7961 5.7961 8.7550 8.7550 9.5777 9.5777 9.6648 9.6648 10.1803 10.1803 10.3013 10.3013 10.3839 10.3839 10.4746 10.4746 10.5028 10.5028 11.1206 11.1206 11.3457 11.3457 11.4436 11.4436 11.6091 11.6091 11.8615 11.8615 12.2429 12.2429 12.4027 12.4027 12.5020 12.5020 12.6189 12.6189 12.6943 12.6943 12.7596 12.7596 13.2629 13.2629 13.5470 13.5470 13.6162 13.6162 13.9857 13.9857 14.1576 14.1576 14.3171 14.3171 14.5685 14.5685 14.7003 14.7003 14.9543 14.9543 15.0648 15.0648 15.4387 15.4387 15.6038 15.6038 16.3473 16.3473 16.3541 16.3541 16.7453 16.7453 18.1300 18.1300 18.2192 18.2192 18.2244 18.2244 19.0583 19.0583 21.2672 21.2672 k = 0.2750 0.2696 0.0000 ( 3587 PWs) bands (ev): 4.4018 4.4018 5.8066 5.8066 8.6902 8.6902 9.5476 9.5476 9.6388 9.6388 10.2058 10.2058 10.2795 10.2795 10.4214 10.4214 10.4561 10.4561 10.4913 10.4913 11.1727 11.1727 11.3551 11.3551 11.4508 11.4508 11.6158 11.6158 11.8547 11.8547 12.2295 12.2295 12.3755 12.3755 12.4981 12.4981 12.5673 12.5673 12.6571 12.6571 12.7545 12.7545 13.2508 13.2508 13.4951 13.4951 13.6407 13.6407 13.9506 13.9506 14.1676 14.1676 14.3017 14.3017 14.5208 14.5208 14.6653 14.6653 14.9772 14.9772 15.0373 15.0373 15.4237 15.4237 15.5748 15.5748 16.3839 16.3839 16.4182 16.4182 16.7412 16.7412 18.2244 18.2244 18.2715 18.2715 18.3217 18.3217 19.1135 19.1135 21.3505 21.3505 k = 0.2875 0.2818 0.0000 ( 3591 PWs) bands (ev): 4.4671 4.4671 5.8174 5.8174 8.6204 8.6204 9.5177 9.5177 9.6125 9.6125 10.2341 10.2341 10.2415 10.2415 10.4287 10.4287 10.4561 10.4561 10.5139 10.5139 11.2232 11.2232 11.3644 11.3644 11.4594 11.4594 11.6226 11.6226 11.8501 11.8501 12.2105 12.2105 12.3480 12.3480 12.4972 12.4972 12.5141 12.5141 12.6298 12.6298 12.7486 12.7486 13.2413 13.2413 13.4382 13.4382 13.6677 13.6677 13.9212 13.9212 14.1766 14.1766 14.2830 14.2830 14.4727 14.4727 14.6266 14.6266 14.9983 14.9983 15.0062 15.0062 15.3999 15.3999 15.5499 15.5499 16.4038 16.4038 16.4908 16.4908 16.7534 16.7534 18.2922 18.2922 18.3238 18.3238 18.4492 18.4492 19.1675 19.1675 21.4383 21.4383 k = 0.3000 0.2941 0.0000 ( 3579 PWs) bands (ev): 4.5341 4.5341 5.8283 5.8283 8.5462 8.5462 9.4884 9.4884 9.5862 9.5862 10.1905 10.1905 10.2647 10.2647 10.4179 10.4179 10.4856 10.4856 10.5448 10.5448 11.2704 11.2704 11.3734 11.3734 11.4696 11.4696 11.6298 11.6298 11.8474 11.8474 12.1856 12.1856 12.3222 12.3222 12.4598 12.4598 12.4981 12.4981 12.6125 12.6125 12.7418 12.7418 13.2348 13.2348 13.3778 13.3778 13.6967 13.6967 13.8967 13.8967 14.1847 14.1847 14.2614 14.2614 14.4248 14.4248 14.5854 14.5854 14.9720 14.9720 15.0162 15.0162 15.3683 15.3683 15.5300 15.5300 16.4126 16.4126 16.5633 16.5633 16.7815 16.7815 18.3518 18.3518 18.3761 18.3761 18.5884 18.5884 19.2199 19.2199 21.5302 21.5302 k = 0.3125 0.3063 0.0000 ( 3571 PWs) bands (ev): 4.6023 4.6023 5.8393 5.8393 8.4685 8.4685 9.4598 9.4598 9.5600 9.5600 10.1335 10.1335 10.2969 10.2969 10.4170 10.4170 10.5106 10.5106 10.5834 10.5834 11.3126 11.3126 11.3818 11.3818 11.4813 11.4813 11.6380 11.6380 11.8465 11.8465 12.1553 12.1553 12.2997 12.2997 12.4051 12.4051 12.4999 12.4999 12.6039 12.6039 12.7340 12.7340 13.2313 13.2313 13.3152 13.3152 13.7272 13.7272 13.8760 13.8760 14.1922 14.1922 14.2372 14.2372 14.3775 14.3775 14.5423 14.5423 14.9354 14.9354 15.0299 15.0299 15.3315 15.3315 15.5142 15.5142 16.4124 16.4124 16.6343 16.6343 16.8218 16.8218 18.4092 18.4092 18.4283 18.4283 18.7330 18.7330 19.2708 19.2708 21.6257 21.6257 k = 0.3250 0.3186 0.0000 ( 3591 PWs) bands (ev): 4.6715 4.6715 5.8503 5.8503 8.3880 8.3880 9.4321 9.4321 9.5342 9.5342 10.0753 10.0753 10.3301 10.3301 10.4216 10.4216 10.5342 10.5342 10.6267 10.6267 11.3479 11.3479 11.3894 11.3894 11.4943 11.4943 11.6478 11.6478 11.8472 11.8472 12.1209 12.1209 12.2814 12.2814 12.3507 12.3507 12.5026 12.5026 12.6025 12.6025 12.7254 12.7254 13.2308 13.2308 13.2514 13.2514 13.7588 13.7588 13.8585 13.8585 14.1992 14.1992 14.2109 14.2109 14.3317 14.3317 14.4978 14.4978 14.8970 14.8970 15.0382 15.0382 15.2928 15.2928 15.5013 15.5013 16.4067 16.4067 16.7027 16.7027 16.8697 16.8697 18.4657 18.4657 18.4805 18.4805 18.8810 18.8810 19.3198 19.3198 21.7239 21.7239 k = 0.3375 0.3309 0.0000 ( 3591 PWs) bands (ev): 4.7414 4.7414 5.8612 5.8612 8.3057 8.3057 9.4056 9.4056 9.5089 9.5089 10.0182 10.0182 10.3633 10.3633 10.4294 10.4294 10.5584 10.5584 10.6725 10.6725 11.3747 11.3747 11.3958 11.3958 11.5082 11.5082 11.6601 11.6601 11.8493 11.8493 12.0839 12.0839 12.2681 12.2681 12.2970 12.2970 12.5059 12.5059 12.6066 12.6066 12.7162 12.7162 13.1874 13.1874 13.2332 13.2332 13.7911 13.7911 13.8436 13.8436 14.1825 14.1825 14.2059 14.2059 14.2882 14.2882 14.4526 14.4526 14.8573 14.8573 15.0392 15.0392 15.2554 15.2554 15.4906 15.4906 16.3980 16.3980 16.7677 16.7677 16.9211 16.9211 18.5219 18.5219 18.5327 18.5327 19.0316 19.0316 19.3668 19.3668 21.8236 21.8236 k = 0.3500 0.3431 0.0000 ( 3599 PWs) bands (ev): 4.8114 4.8114 5.8718 5.8718 8.2223 8.2223 9.3804 9.3804 9.4844 9.4844 9.9635 9.9635 10.3960 10.3960 10.4393 10.4393 10.5842 10.5842 10.7200 10.7200 11.3926 11.3926 11.4007 11.4007 11.5221 11.5221 11.6752 11.6752 11.8525 11.8525 12.0457 12.0457 12.2444 12.2444 12.2603 12.2603 12.5098 12.5098 12.6145 12.6145 12.7070 12.7070 13.1240 13.1240 13.2381 13.2381 13.8233 13.8233 13.8310 13.8310 14.1522 14.1522 14.2124 14.2124 14.2479 14.2479 14.4073 14.4073 14.8170 14.8170 15.0307 15.0307 15.2226 15.2226 15.4817 15.4817 16.3882 16.3882 16.8287 16.8287 16.9733 16.9733 18.5776 18.5776 18.5846 18.5846 19.1845 19.1845 19.4116 19.4116 21.9229 21.9229 k = 0.3625 0.3554 0.0000 ( 3596 PWs) bands (ev): 4.8811 4.8811 5.8822 5.8822 8.1388 8.1388 9.3567 9.3567 9.4609 9.4609 9.9120 9.9120 10.4273 10.4273 10.4507 10.4507 10.6120 10.6120 10.7685 10.7685 11.4019 11.4019 11.4038 11.4038 11.5354 11.5354 11.6924 11.6924 11.8565 11.8565 12.0076 12.0076 12.1934 12.1934 12.2581 12.2581 12.5144 12.5144 12.6250 12.6250 12.6981 12.6981 13.0618 13.0618 13.2451 13.2451 13.8204 13.8204 13.8549 13.8549 14.1201 14.1201 14.2113 14.2113 14.2190 14.2190 14.3628 14.3628 14.7764 14.7764 15.0110 15.0110 15.1969 15.1969 15.4744 15.4744 16.3783 16.3783 16.8852 16.8852 17.0241 17.0241 18.6325 18.6325 18.6359 18.6359 19.3392 19.3392 19.4539 19.4539 22.0187 22.0187 k = 0.3750 0.3676 0.0000 ( 3596 PWs) bands (ev): 4.9500 4.9500 5.8921 5.8921 8.0562 8.0562 9.3347 9.3347 9.4385 9.4385 9.8642 9.8642 10.4567 10.4567 10.4630 10.4630 10.6417 10.6417 10.8177 10.8177 11.4039 11.4039 11.4046 11.4046 11.5483 11.5483 11.7101 11.7101 11.8608 11.8608 11.9707 11.9707 12.1445 12.1445 12.2612 12.2612 12.5194 12.5194 12.6372 12.6372 12.6904 12.6904 13.0013 13.0013 13.2539 13.2539 13.8118 13.8118 13.8849 13.8849 14.0867 14.0867 14.1791 14.1791 14.2252 14.2252 14.3205 14.3205 14.7362 14.7362 14.9806 14.9806 15.1784 15.1784 15.4687 15.4687 16.3690 16.3690 16.9369 16.9369 17.0725 17.0725 18.6861 18.6861 18.6864 18.6864 19.4936 19.4936 19.4953 19.4953 22.1053 22.1053 k = 0.3875 0.3799 0.0000 ( 3588 PWs) bands (ev): 5.0173 5.0173 5.9015 5.9015 7.9755 7.9755 9.3143 9.3143 9.4174 9.4174 9.8204 9.8204 10.4759 10.4759 10.4839 10.4839 10.6731 10.6731 10.8671 10.8671 11.4000 11.4000 11.4028 11.4028 11.5610 11.5610 11.7266 11.7266 11.8638 11.8638 11.9369 11.9369 12.0984 12.0984 12.2687 12.2687 12.5249 12.5249 12.6500 12.6500 12.6845 12.6845 12.9432 12.9432 13.2637 13.2637 13.8049 13.8049 13.9120 13.9120 14.0531 14.0531 14.1510 14.1510 14.2292 14.2292 14.2840 14.2840 14.6969 14.6969 14.9425 14.9425 15.1651 15.1651 15.4645 15.4645 16.3604 16.3604 16.9837 16.9837 17.1173 17.1173 18.7350 18.7350 18.7384 18.7384 19.5306 19.5306 19.6525 19.6525 22.1730 22.1730 k = 0.4000 0.3921 0.0000 ( 3580 PWs) bands (ev): 5.0821 5.0821 5.9103 5.9103 7.8978 7.8978 9.2958 9.2958 9.3978 9.3978 9.7809 9.7809 10.4889 10.4889 10.5086 10.5086 10.7056 10.7056 10.9164 10.9164 11.3918 11.3918 11.3982 11.3982 11.5737 11.5737 11.7405 11.7405 11.8604 11.8604 11.9111 11.9111 12.0559 12.0559 12.2795 12.2795 12.5304 12.5304 12.6630 12.6630 12.6813 12.6813 12.8881 12.8881 13.2741 13.2741 13.7997 13.7997 13.9346 13.9346 14.0201 14.0201 14.1268 14.1268 14.2217 14.2217 14.2648 14.2648 14.6591 14.6591 14.8999 14.8999 15.1545 15.1545 15.4617 15.4617 16.3528 16.3528 17.0253 17.0253 17.1581 17.1581 18.7816 18.7816 18.7881 18.7881 19.5644 19.5644 19.8103 19.8103 22.2055 22.2055 k = 0.4125 0.4044 0.0000 ( 3580 PWs) bands (ev): 5.1437 5.1437 5.9183 5.9183 7.8243 7.8243 9.2793 9.2793 9.3798 9.3798 9.7458 9.7458 10.5018 10.5018 10.5308 10.5308 10.7383 10.7383 10.9652 10.9652 11.3808 11.3808 11.3906 11.3906 11.5865 11.5865 11.7511 11.7511 11.8419 11.8419 11.9019 11.9019 12.0180 12.0180 12.2921 12.2921 12.5354 12.5354 12.6755 12.6755 12.6815 12.6815 12.8366 12.8366 13.2846 13.2846 13.7959 13.7959 13.9501 13.9501 13.9888 13.9888 14.1062 14.1062 14.2007 14.2007 14.2677 14.2677 14.6232 14.6232 14.8553 14.8553 15.1451 15.1451 15.4600 15.4600 16.3461 16.3461 17.0617 17.0617 17.1945 17.1945 18.8253 18.8253 18.8347 18.8347 19.5948 19.5948 19.9683 19.9683 22.1866 22.1866 k = 0.4250 0.4166 0.0000 ( 3588 PWs) bands (ev): 5.2008 5.2008 5.9255 5.9255 7.7564 7.7564 9.2648 9.2648 9.3638 9.3638 9.7153 9.7153 10.5142 10.5142 10.5505 10.5505 10.7703 10.7703 11.0130 11.0130 11.3683 11.3683 11.3803 11.3803 11.5991 11.5991 11.7583 11.7583 11.8132 11.8132 11.9036 11.9036 11.9856 11.9856 12.3051 12.3051 12.5393 12.5393 12.6855 12.6855 12.6871 12.6871 12.7895 12.7895 13.2947 13.2947 13.7936 13.7936 13.9562 13.9562 13.9600 13.9600 14.0889 14.0889 14.1830 14.1830 14.2788 14.2788 14.5901 14.5901 14.8103 14.8103 15.1364 15.1364 15.4592 15.4592 16.3404 16.3404 17.0931 17.0931 17.2261 17.2261 18.8654 18.8654 18.8773 18.8773 19.6217 19.6217 20.1257 20.1257 22.1165 22.1165 k = 0.4375 0.4289 0.0000 ( 3596 PWs) bands (ev): 5.2524 5.2524 5.9318 5.9318 7.6953 7.6953 9.2525 9.2525 9.3498 9.3498 9.6895 9.6895 10.5255 10.5255 10.5674 10.5674 10.8005 10.8005 11.0589 11.0589 11.3555 11.3555 11.3675 11.3675 11.6113 11.6113 11.7626 11.7626 11.7821 11.7821 11.9080 11.9080 11.9598 11.9598 12.3172 12.3172 12.5419 12.5419 12.6931 12.6931 12.6973 12.6973 12.7476 12.7476 13.3039 13.3039 13.7925 13.7925 13.9342 13.9342 13.9523 13.9523 14.0749 14.0749 14.1741 14.1741 14.2935 14.2935 14.5604 14.5604 14.7665 14.7665 15.1283 15.1283 15.4591 15.4591 16.3357 16.3357 17.1194 17.1194 17.2529 17.2529 18.9010 18.9010 18.9151 18.9151 19.6449 19.6449 20.2813 20.2813 22.0114 22.0114 k = 0.4500 0.4411 0.0000 ( 3596 PWs) bands (ev): 5.2971 5.2971 5.9371 5.9371 7.6426 7.6426 9.2423 9.2423 9.3380 9.3380 9.6684 9.6684 10.5356 10.5356 10.5816 10.5816 10.8278 10.8278 11.1023 11.1023 11.3436 11.3436 11.3529 11.3529 11.6226 11.6226 11.7517 11.7517 11.7644 11.7644 11.9110 11.9110 11.9420 11.9420 12.3276 12.3276 12.5432 12.5432 12.7031 12.7031 12.7036 12.7036 12.7141 12.7141 13.3119 13.3119 13.7923 13.7923 13.9121 13.9121 13.9411 13.9411 14.0638 14.0638 14.1726 14.1726 14.3107 14.3107 14.5346 14.5346 14.7251 14.7251 15.1210 15.1210 15.4594 15.4594 16.3319 16.3319 17.1407 17.1407 17.2749 17.2749 18.9313 18.9313 18.9474 18.9474 19.6641 19.6641 20.4334 20.4334 21.8885 21.8885 k = 0.4625 0.4534 0.0000 ( 3568 PWs) bands (ev): 5.3336 5.3336 5.9413 5.9413 7.5997 7.5997 9.2343 9.2343 9.3286 9.3286 9.6519 9.6519 10.5439 10.5439 10.5929 10.5929 10.8509 10.8509 11.1419 11.1419 11.3334 11.3334 11.3371 11.3371 11.6324 11.6324 11.7242 11.7242 11.7645 11.7645 11.9088 11.9088 11.9347 11.9347 12.3358 12.3358 12.5436 12.5436 12.6807 12.6807 12.7140 12.7140 12.7146 12.7146 13.3184 13.3184 13.7929 13.7929 13.8941 13.8941 13.9271 13.9271 14.0556 14.0556 14.1750 14.1750 14.3290 14.3290 14.5137 14.5137 14.6880 14.6880 15.1148 15.1148 15.4599 15.4599 16.3289 16.3289 17.1572 17.1572 17.2919 17.2919 18.9558 18.9558 18.9734 18.9734 19.6793 19.6793 20.5784 20.5784 21.7606 21.7606 k = 0.4750 0.4656 0.0000 ( 3580 PWs) bands (ev): 5.3608 5.3608 5.9443 5.9443 7.5680 7.5680 9.2286 9.2286 9.3219 9.3219 9.6402 9.6402 10.5501 10.5501 10.6011 10.6011 10.8686 10.8686 11.1758 11.1758 11.3212 11.3212 11.3256 11.3256 11.6402 11.6402 11.7019 11.7019 11.7636 11.7636 11.9028 11.9028 11.9349 11.9349 12.3417 12.3417 12.5435 12.5435 12.6593 12.6593 12.7195 12.7195 12.7235 12.7235 13.3231 13.3231 13.7939 13.7939 13.8806 13.8806 13.9143 13.9143 14.0499 14.0499 14.1785 14.1785 14.3463 14.3463 14.4981 14.4981 14.6573 14.6573 15.1101 15.1101 15.4603 15.4603 16.3269 16.3269 17.1689 17.1689 17.3041 17.3041 18.9737 18.9737 18.9925 18.9925 19.6902 19.6902 20.7088 20.7088 21.6398 21.6398 k = 0.4875 0.4779 0.0000 ( 3592 PWs) bands (ev): 5.3775 5.3775 5.9461 5.9461 7.5484 7.5484 9.2251 9.2251 9.3177 9.3177 9.6332 9.6332 10.5539 10.5539 10.6061 10.6061 10.8797 10.8797 11.2009 11.2009 11.3076 11.3076 11.3207 11.3207 11.6453 11.6453 11.6871 11.6871 11.7627 11.7627 11.8982 11.8982 11.9365 11.9365 12.3452 12.3452 12.5433 12.5433 12.6460 12.6460 12.7226 12.7226 12.7300 12.7300 13.3260 13.3260 13.7948 13.7948 13.8722 13.8722 13.9056 13.9056 14.0467 14.0467 14.1811 14.1811 14.3592 14.3592 14.4886 14.4886 14.6364 14.6364 15.1071 15.1071 15.4607 15.4607 16.3257 16.3257 17.1759 17.1759 17.3114 17.3114 18.9846 18.9846 19.0041 19.0041 19.6967 19.6967 20.8084 20.8084 21.5452 21.5452 k = 0.5000 0.4902 0.0000 ( 3596 PWs) bands (ev): 5.3832 5.3832 5.9467 5.9467 7.5418 7.5418 9.2240 9.2240 9.3163 9.3163 9.6308 9.6308 10.5552 10.5552 10.6078 10.6078 10.8836 10.8836 11.2109 11.2109 11.3016 11.3016 11.3190 11.3190 11.6471 11.6471 11.6819 11.6819 11.7623 11.7623 11.8966 11.8966 11.9372 11.9372 12.3464 12.3464 12.5432 12.5432 12.6415 12.6415 12.7236 12.7236 12.7324 12.7324 13.3269 13.3269 13.7952 13.7952 13.8693 13.8693 13.9025 13.9025 14.0456 14.0456 14.1820 14.1820 14.3641 14.3641 14.4853 14.4853 14.6288 14.6288 15.1061 15.1061 15.4608 15.4608 16.3253 16.3253 17.1782 17.1782 17.3138 17.3138 18.9883 18.9883 19.0080 19.0080 19.6989 19.6989 20.8482 20.8482 21.5069 21.5069 k = 0.5000 0.4902 0.0000 ( 3596 PWs) bands (ev): 5.3832 5.3832 5.9467 5.9467 7.5418 7.5418 9.2240 9.2240 9.3163 9.3163 9.6308 9.6308 10.5552 10.5552 10.6078 10.6078 10.8836 10.8836 11.2109 11.2109 11.3016 11.3016 11.3190 11.3190 11.6471 11.6471 11.6819 11.6819 11.7623 11.7623 11.8966 11.8966 11.9372 11.9372 12.3464 12.3464 12.5432 12.5432 12.6415 12.6415 12.7236 12.7236 12.7324 12.7324 13.3269 13.3269 13.7952 13.7952 13.8693 13.8693 13.9025 13.9025 14.0456 14.0456 14.1820 14.1820 14.3641 14.3641 14.4853 14.4853 14.6288 14.6288 15.1061 15.1061 15.4608 15.4608 16.3253 16.3253 17.1782 17.1782 17.3138 17.3138 18.9883 18.9883 19.0080 19.0080 19.6989 19.6989 20.8482 20.8482 21.5069 21.5069 k = 0.4913 0.4990 0.0124 ( 3584 PWs) bands (ev): 5.3841 5.3841 5.9456 5.9456 7.5433 7.5433 9.2230 9.2230 9.3157 9.3157 9.6310 9.6310 10.5535 10.5535 10.6072 10.6072 10.8819 10.8819 11.2076 11.2076 11.3028 11.3028 11.3214 11.3214 11.6466 11.6466 11.6806 11.6806 11.7623 11.7623 11.8887 11.8887 11.9450 11.9450 12.3461 12.3461 12.5447 12.5447 12.6416 12.6416 12.7259 12.7259 12.7333 12.7333 13.3270 13.3270 13.7859 13.7859 13.8768 13.8768 13.9013 13.9013 14.0480 14.0480 14.1816 14.1816 14.3632 14.3632 14.4900 14.4900 14.6319 14.6319 15.1079 15.1079 15.4591 15.4591 16.3221 16.3221 17.1809 17.1809 17.3158 17.3158 18.9802 18.9802 19.0007 19.0007 19.7165 19.7165 20.8464 20.8464 21.5052 21.5052 k = 0.4827 0.5078 0.0247 ( 3582 PWs) bands (ev): 5.3868 5.3868 5.9420 5.9420 7.5478 7.5478 9.2198 9.2198 9.3139 9.3139 9.6316 9.6316 10.5474 10.5474 10.6063 10.6063 10.8775 10.8775 11.1982 11.1982 11.3051 11.3051 11.3292 11.3292 11.6451 11.6451 11.6769 11.6769 11.7623 11.7623 11.8732 11.8732 11.9602 11.9602 12.3456 12.3456 12.5485 12.5485 12.6424 12.6424 12.7320 12.7320 12.7366 12.7366 13.3273 13.3273 13.7652 13.7652 13.8858 13.8858 13.9040 13.9040 14.0550 14.0550 14.1801 14.1801 14.3613 14.3613 14.5032 14.5032 14.6411 14.6411 15.1130 15.1130 15.4541 15.4541 16.3126 16.3126 17.1882 17.1882 17.3226 17.3226 18.9493 18.9493 18.9887 18.9887 19.7658 19.7658 20.8413 20.8413 21.4999 21.4999 k = 0.4740 0.5166 0.0371 ( 3582 PWs) bands (ev): 5.3914 5.3914 5.9361 5.9361 7.5553 7.5553 9.2137 9.2137 9.3119 9.3119 9.6329 9.6329 10.5348 10.5348 10.6068 10.6068 10.8711 10.8711 11.1838 11.1838 11.3065 11.3065 11.3423 11.3423 11.6425 11.6425 11.6712 11.6712 11.7621 11.7621 11.8565 11.8565 11.9764 11.9764 12.3456 12.3456 12.5527 12.5527 12.6452 12.6452 12.7369 12.7369 12.7470 12.7470 13.3279 13.3279 13.7407 13.7407 13.8788 13.8788 13.9208 13.9208 14.0660 14.0660 14.1779 14.1779 14.3605 14.3605 14.5233 14.5233 14.6559 14.6559 15.1213 15.1213 15.4462 15.4462 16.2971 16.2971 17.1978 17.1978 17.3359 17.3359 18.9001 18.9001 18.9747 18.9747 19.8395 19.8395 20.8334 20.8334 21.4909 21.4909 k = 0.4654 0.5255 0.0495 ( 3594 PWs) bands (ev): 5.3977 5.3977 5.9277 5.9277 7.5657 7.5657 9.2040 9.2040 9.3108 9.3108 9.6349 9.6349 10.5143 10.5143 10.6101 10.6101 10.8642 10.8642 11.1649 11.1649 11.3061 11.3061 11.3594 11.3594 11.6385 11.6385 11.6645 11.6645 11.7612 11.7612 11.8407 11.8407 11.9916 11.9916 12.3470 12.3470 12.5550 12.5550 12.6514 12.6514 12.7406 12.7406 12.7640 12.7640 13.3293 13.3293 13.7152 13.7152 13.8651 13.8651 13.9401 13.9401 14.0804 14.0804 14.1749 14.1749 14.3629 14.3629 14.5485 14.5485 14.6760 14.6760 15.1323 15.1323 15.4359 15.4359 16.2763 16.2763 17.2070 17.2070 17.3579 17.3579 18.8416 18.8416 18.9566 18.9566 19.9306 19.9306 20.8234 20.8234 21.4777 21.4777 k = 0.4567 0.5343 0.0618 ( 3602 PWs) bands (ev): 5.4057 5.4057 5.9167 5.9167 7.5791 7.5791 9.1903 9.1903 9.3114 9.3114 9.6380 9.6380 10.4859 10.4859 10.6163 10.6163 10.8578 10.8578 11.1421 11.1421 11.3034 11.3034 11.3792 11.3792 11.6324 11.6324 11.6581 11.6581 11.7592 11.7592 11.8272 11.8272 12.0047 12.0047 12.3505 12.3505 12.5537 12.5537 12.6618 12.6618 12.7445 12.7445 12.7858 12.7858 13.3317 13.3317 13.6899 13.6899 13.8477 13.8477 13.9580 13.9580 14.0974 14.0974 14.1711 14.1711 14.3702 14.3702 14.5773 14.5773 14.7009 14.7009 15.1453 15.1453 15.4239 15.4239 16.2506 16.2506 17.2134 17.2134 17.3901 17.3901 18.7789 18.7789 18.9338 18.9338 20.0342 20.0342 20.8123 20.8123 21.4599 21.4599 k = 0.4480 0.5431 0.0742 ( 3594 PWs) bands (ev): 5.4154 5.4154 5.9030 5.9030 7.5953 7.5953 9.1727 9.1727 9.3143 9.3143 9.6423 9.6423 10.4502 10.4502 10.6250 10.6250 10.8527 10.8527 11.1155 11.1155 11.2979 11.2979 11.4003 11.4003 11.6241 11.6241 11.6532 11.6532 11.7558 11.7558 11.8168 11.8168 12.0150 12.0150 12.3567 12.3567 12.5485 12.5485 12.6754 12.6754 12.7490 12.7490 12.8116 12.8116 13.3359 13.3359 13.6655 13.6655 13.8273 13.8273 13.9733 13.9733 14.1161 14.1161 14.1673 14.1673 14.3834 14.3834 14.6083 14.6083 14.7302 14.7302 15.1597 15.1597 15.4113 15.4113 16.2207 16.2207 17.2165 17.2165 17.4325 17.4325 18.7151 18.7151 18.9063 18.9063 20.1467 20.1467 20.8017 20.8017 21.4371 21.4371 k = 0.4394 0.5520 0.0866 ( 3598 PWs) bands (ev): 5.4268 5.4268 5.8865 5.8865 7.6145 7.6145 9.1519 9.1519 9.3196 9.3196 9.6481 9.6481 10.4083 10.4083 10.6357 10.6357 10.8494 10.8494 11.0854 11.0854 11.2893 11.2893 11.4215 11.4215 11.6142 11.6142 11.6498 11.6498 11.7512 11.7512 11.8101 11.8101 12.0218 12.0218 12.3655 12.3655 12.5404 12.5404 12.6899 12.6899 12.7555 12.7555 12.8405 12.8405 13.3424 13.3424 13.6424 13.6424 13.8043 13.8043 13.9855 13.9855 14.1325 14.1325 14.1679 14.1679 14.4022 14.4022 14.6408 14.6408 14.7637 14.7637 15.1742 15.1742 15.3994 15.3994 16.1870 16.1870 17.2165 17.2165 17.4839 17.4839 18.6518 18.6518 18.8743 18.8743 20.2649 20.2649 20.7936 20.7936 21.4087 21.4087 k = 0.4307 0.5608 0.0989 ( 3602 PWs) bands (ev): 5.4397 5.4397 5.8671 5.8671 7.6364 7.6364 9.1290 9.1290 9.3272 9.3272 9.6553 9.6553 10.3612 10.3612 10.6481 10.6481 10.8480 10.8480 11.0520 11.0520 11.2775 11.2775 11.4409 11.4409 11.6043 11.6043 11.6476 11.6476 11.7466 11.7466 11.8066 11.8066 12.0248 12.0248 12.3760 12.3760 12.5305 12.5305 12.7023 12.7023 12.7660 12.7660 12.8719 12.8719 13.3518 13.3518 13.6208 13.6208 13.7792 13.7792 13.9945 13.9945 14.1363 14.1363 14.1836 14.1836 14.4258 14.4258 14.6739 14.6739 14.8006 14.8006 15.1873 15.1873 15.3901 15.3901 16.1500 16.1500 17.2142 17.2142 17.5432 17.5432 18.5902 18.5902 18.8378 18.8378 20.3847 20.3847 20.7917 20.7917 21.3743 21.3743 k = 0.4221 0.5696 0.1113 ( 3598 PWs) bands (ev): 5.4541 5.4541 5.8446 5.8446 7.6611 7.6611 9.1051 9.1051 9.3368 9.3368 9.6639 9.6639 10.3100 10.3100 10.6619 10.6619 10.8483 10.8483 11.0157 11.0157 11.2624 11.2624 11.4565 11.4565 11.5957 11.5957 11.6461 11.6461 11.7441 11.7441 11.8054 11.8054 12.0238 12.0238 12.3865 12.3865 12.5205 12.5205 12.7111 12.7111 12.7821 12.7821 12.9048 12.9048 13.3648 13.3648 13.6009 13.6009 13.7522 13.7522 14.0007 14.0007 14.1311 14.1311 14.2111 14.2111 14.4526 14.4526 14.7071 14.7071 14.8403 14.8403 15.1975 15.1975 15.3854 15.3854 16.1103 16.1103 17.2100 17.2100 17.6092 17.6092 18.5310 18.5310 18.7972 18.7972 20.4977 20.4977 20.8041 20.8041 21.3332 21.3332 k = 0.4134 0.5785 0.1237 ( 3592 PWs) bands (ev): 5.4699 5.4699 5.8188 5.8188 7.6885 7.6885 9.0810 9.0810 9.3484 9.3484 9.6740 9.6740 10.2556 10.2556 10.6768 10.6768 10.8500 10.8500 10.9771 10.9771 11.2445 11.2445 11.4661 11.4661 11.5894 11.5894 11.6452 11.6452 11.7452 11.7452 11.8061 11.8061 12.0188 12.0188 12.3932 12.3932 12.5129 12.5129 12.7174 12.7174 12.8027 12.8027 12.9386 12.9386 13.3815 13.3815 13.5829 13.5829 13.7239 13.7239 14.0049 14.0049 14.1238 14.1238 14.2437 14.2437 14.4814 14.4814 14.7404 14.7404 14.8813 14.8813 15.2035 15.2035 15.3872 15.3872 16.0683 16.0683 17.2043 17.2043 17.6808 17.6808 18.4748 18.4748 18.7526 18.7526 20.5866 20.5866 20.8476 20.8476 21.2852 21.2852 k = 0.4048 0.5873 0.1361 ( 3584 PWs) bands (ev): 5.4870 5.4870 5.7897 5.7897 7.7186 7.7186 9.0579 9.0579 9.3618 9.3618 9.6856 9.6856 10.1988 10.1988 10.6923 10.6923 10.8519 10.8519 10.9380 10.9380 11.2240 11.2240 11.4687 11.4687 11.5852 11.5852 11.6451 11.6451 11.7509 11.7509 11.8086 11.8086 12.0101 12.0101 12.3918 12.3918 12.5107 12.5107 12.7240 12.7240 12.8258 12.8258 12.9728 12.9728 13.4018 13.4018 13.5671 13.5671 13.6950 13.6950 14.0078 14.0078 14.1164 14.1164 14.2788 14.2788 14.5108 14.5108 14.7736 14.7736 14.9216 14.9216 15.2060 15.2060 15.3962 15.3962 16.0246 16.0246 17.1975 17.1975 17.7571 17.7571 18.4220 18.4220 18.7042 18.7042 20.6364 20.6364 20.9352 20.9352 21.2303 21.2303 k = 0.3961 0.5961 0.1484 ( 3588 PWs) bands (ev): 5.5053 5.5053 5.7573 5.7573 7.7512 7.7512 9.0366 9.0366 9.3770 9.3770 9.6985 9.6985 10.1405 10.1405 10.7080 10.7080 10.8484 10.8484 10.9046 10.9046 11.2014 11.2014 11.4654 11.4654 11.5816 11.5816 11.6457 11.6457 11.7600 11.7600 11.8143 11.8143 11.9981 11.9981 12.3805 12.3805 12.5140 12.5140 12.7337 12.7337 12.8496 12.8496 13.0068 13.0068 13.4249 13.4249 13.5538 13.5538 13.6668 13.6668 14.0101 14.0101 14.1098 14.1098 14.3154 14.3154 14.5398 14.5398 14.8066 14.8066 14.9581 14.9581 15.2081 15.2081 15.4116 15.4116 15.9796 15.9796 17.1895 17.1895 17.8367 17.8367 18.3734 18.3734 18.6525 18.6525 20.6595 20.6595 21.0371 21.0371 21.1798 21.1798 k = 0.3874 0.6050 0.1608 ( 3592 PWs) bands (ev): 5.5245 5.5245 5.7213 5.7213 7.7862 7.7862 9.0177 9.0177 9.3939 9.3939 9.7126 9.7126 10.0813 10.0813 10.7228 10.7228 10.8247 10.8247 10.8926 10.8926 11.1772 11.1772 11.4581 11.4581 11.5773 11.5773 11.6468 11.6468 11.7689 11.7689 11.8255 11.8255 11.9833 11.9833 12.3608 12.3608 12.5196 12.5196 12.7486 12.7486 12.8730 12.8730 13.0405 13.0405 13.4486 13.4486 13.5434 13.5434 13.6417 13.6417 14.0122 14.0122 14.1043 14.1043 14.3526 14.3526 14.5676 14.5676 14.8395 14.8395 14.9862 14.9862 15.2148 15.2148 15.4318 15.4318 15.9339 15.9339 17.1805 17.1805 17.9173 17.9173 18.3306 18.3306 18.5977 18.5977 20.6735 20.6735 21.0162 21.0162 21.1666 21.1666 k = 0.3788 0.6138 0.1732 ( 3592 PWs) bands (ev): 5.5447 5.5447 5.6819 5.6819 7.8237 7.8237 9.0018 9.0018 9.4125 9.4125 9.7280 9.7280 10.0219 10.0219 10.7332 10.7332 10.7883 10.7883 10.8980 10.8980 11.1520 11.1520 11.4489 11.4489 11.5721 11.5721 11.6483 11.6483 11.7740 11.7740 11.8430 11.8430 11.9668 11.9668 12.3357 12.3357 12.5241 12.5241 12.7700 12.7700 12.8947 12.8947 13.0733 13.0733 13.4681 13.4681 13.5370 13.5370 13.6245 13.6245 14.0143 14.0143 14.1004 14.1004 14.3896 14.3896 14.5934 14.5934 14.8722 14.8722 15.0014 15.0014 15.2312 15.2312 15.4552 15.4552 15.8884 15.8884 17.1705 17.1705 17.9942 17.9942 18.2976 18.2976 18.5404 18.5404 20.6868 20.6868 20.8891 20.8891 21.0675 21.0675 k = 0.3701 0.6226 0.1855 ( 3588 PWs) bands (ev): 5.5655 5.5655 5.6391 5.6391 7.8635 7.8635 8.9895 8.9895 9.4327 9.4327 9.7443 9.7443 9.9630 9.9630 10.7186 10.7186 10.7714 10.7714 10.9090 10.9090 11.1267 11.1267 11.4391 11.4391 11.5660 11.5660 11.6499 11.6499 11.7753 11.7753 11.8627 11.8627 11.9510 11.9510 12.3075 12.3075 12.5258 12.5258 12.7979 12.7979 12.9138 12.9138 13.1049 13.1049 13.4767 13.4767 13.5344 13.5344 13.6233 13.6233 14.0163 14.0163 14.0984 14.0984 14.4259 14.4259 14.6168 14.6168 14.9045 14.9045 15.0023 15.0023 15.2588 15.2588 15.4809 15.4809 15.8439 15.8439 17.1597 17.1597 18.0549 18.0549 18.2853 18.2853 18.4817 18.4817 20.7015 20.7015 20.7374 20.7374 20.9769 20.9769 k = 0.3701 0.6226 0.1855 ( 3588 PWs) bands (ev): 5.5655 5.5655 5.6391 5.6391 7.8635 7.8635 8.9895 8.9895 9.4327 9.4327 9.7443 9.7443 9.9630 9.9630 10.7186 10.7186 10.7714 10.7714 10.9090 10.9090 11.1267 11.1267 11.4391 11.4391 11.5660 11.5660 11.6499 11.6499 11.7753 11.7753 11.8627 11.8627 11.9510 11.9510 12.3075 12.3075 12.5258 12.5258 12.7979 12.7979 12.9138 12.9138 13.1049 13.1049 13.4767 13.4767 13.5344 13.5344 13.6233 13.6233 14.0163 14.0163 14.0984 14.0984 14.4259 14.4259 14.6168 14.6168 14.9045 14.9045 15.0023 15.0023 15.2588 15.2588 15.4809 15.4809 15.8439 15.8439 17.1597 17.1597 18.0549 18.0549 18.2853 18.2853 18.4817 18.4817 20.7015 20.7015 20.7374 20.7374 20.9769 20.9769 k = 0.3553 0.6177 0.1924 ( 3590 PWs) bands (ev): 5.5744 5.5744 5.6141 5.6141 7.8899 7.8899 8.9833 8.9833 9.4449 9.4449 9.7560 9.7560 9.9316 9.9316 10.6962 10.6962 10.7741 10.7741 10.9137 10.9137 11.1143 11.1143 11.4341 11.4341 11.5614 11.5614 11.6508 11.6508 11.7749 11.7749 11.8701 11.8701 11.9465 11.9465 12.2919 12.2919 12.5240 12.5240 12.8141 12.8141 12.9234 12.9234 13.1228 13.1228 13.4764 13.4764 13.5354 13.5354 13.6313 13.6313 14.0173 14.0173 14.0975 14.0975 14.4463 14.4463 14.6287 14.6287 14.9221 14.9221 14.9983 14.9983 15.2796 15.2796 15.4970 15.4970 15.8203 15.8203 17.1516 17.1516 18.0732 18.0732 18.2916 18.2916 18.4498 18.4498 20.6257 20.6257 20.6592 20.6592 21.0059 21.0059 k = 0.3405 0.6128 0.1993 ( 3598 PWs) bands (ev): 5.5774 5.5774 5.5888 5.5888 7.9234 7.9234 8.9762 8.9762 9.4577 9.4577 9.7720 9.7720 9.9032 9.9032 10.6711 10.6711 10.7772 10.7772 10.9133 10.9133 11.1056 11.1056 11.4295 11.4295 11.5546 11.5546 11.6514 11.6514 11.7739 11.7739 11.8715 11.8715 11.9488 11.9488 12.2777 12.2777 12.5191 12.5191 12.8282 12.8282 12.9324 12.9324 13.1421 13.1421 13.4749 13.4749 13.5405 13.5405 13.6427 13.6427 14.0183 14.0183 14.0963 14.0963 14.4676 14.4676 14.6404 14.6404 14.9392 14.9392 14.9920 14.9920 15.3063 15.3063 15.5157 15.5157 15.7983 15.7983 17.1400 17.1400 18.0768 18.0768 18.3008 18.3008 18.4257 18.4257 20.4843 20.4843 20.5732 20.5732 21.1113 21.1113 k = 0.3257 0.6079 0.2061 ( 3600 PWs) bands (ev): 5.5622 5.5622 5.5765 5.5765 7.9634 7.9634 8.9681 8.9681 9.4702 9.4702 9.7918 9.7918 9.8793 9.8793 10.6459 10.6459 10.7786 10.7786 10.9067 10.9067 11.1017 11.1017 11.4249 11.4249 11.5457 11.5457 11.6515 11.6515 11.7719 11.7719 11.8686 11.8686 11.9554 11.9554 12.2661 12.2661 12.5125 12.5125 12.8403 12.8403 12.9402 12.9402 13.1622 13.1622 13.4747 13.4747 13.5489 13.5489 13.6547 13.6547 14.0191 14.0191 14.0951 14.0951 14.4890 14.4890 14.6522 14.6522 14.9553 14.9553 14.9845 14.9845 15.3376 15.3376 15.5367 15.5367 15.7785 15.7785 17.1249 17.1249 18.0679 18.0679 18.2952 18.2952 18.4262 18.4262 20.3228 20.3228 20.4981 20.4981 21.1738 21.1738 k = 0.3109 0.6030 0.2130 ( 3599 PWs) bands (ev): 5.5363 5.5363 5.5701 5.5701 8.0092 8.0092 8.9589 8.9589 9.4810 9.4810 9.8134 9.8134 9.8633 9.8633 10.6215 10.6215 10.7777 10.7777 10.8940 10.8940 11.1030 11.1030 11.4200 11.4200 11.5347 11.5347 11.6510 11.6510 11.7687 11.7687 11.8638 11.8638 11.9631 11.9631 12.2581 12.2581 12.5053 12.5053 12.8508 12.8508 12.9462 12.9462 13.1821 13.1821 13.4776 13.4776 13.5596 13.5596 13.6660 13.6660 14.0194 14.0194 14.0949 14.0949 14.5098 14.5098 14.6643 14.6643 14.9617 14.9617 14.9850 14.9850 15.3717 15.3717 15.5599 15.5599 15.7621 15.7621 17.1064 17.1064 18.0504 18.0504 18.2666 18.2666 18.4568 18.4568 20.1575 20.1575 20.4312 20.4312 21.1569 21.1569 k = 0.2961 0.5981 0.2198 ( 3596 PWs) bands (ev): 5.5105 5.5105 5.5599 5.5599 8.0598 8.0598 8.9489 8.9489 9.4888 9.4888 9.8284 9.8284 9.8647 9.8647 10.5985 10.5985 10.7746 10.7746 10.8759 10.8759 11.1085 11.1085 11.4141 11.4141 11.5215 11.5215 11.6498 11.6498 11.7641 11.7641 11.8584 11.8584 11.9700 11.9700 12.2541 12.2541 12.4990 12.4990 12.8604 12.8604 12.9501 12.9501 13.2008 13.2008 13.4840 13.4840 13.5715 13.5715 13.6759 13.6759 14.0190 14.0190 14.0963 14.0963 14.5292 14.5292 14.6769 14.6769 14.9519 14.9519 15.0011 15.0011 15.4054 15.4054 15.5854 15.5854 15.7507 15.7507 17.0846 17.0846 18.0272 18.0272 18.2266 18.2266 18.5042 18.5042 19.9925 19.9925 20.3721 20.3721 21.1345 21.1345 k = 0.2813 0.5932 0.2267 ( 3591 PWs) bands (ev): 5.4849 5.4849 5.5465 5.5465 8.1144 8.1144 8.9381 8.9381 9.4924 9.4924 9.8327 9.8327 9.8887 9.8887 10.5771 10.5771 10.7689 10.7689 10.8540 10.8540 11.1173 11.1173 11.4069 11.4069 11.5059 11.5059 11.6481 11.6481 11.7583 11.7583 11.8525 11.8525 11.9761 11.9761 12.2542 12.2542 12.4946 12.4946 12.8694 12.8694 12.9518 12.9518 13.2175 13.2175 13.4936 13.4936 13.5834 13.5834 13.6849 13.6849 14.0179 14.0179 14.0999 14.0999 14.5465 14.5465 14.6897 14.6897 14.9381 14.9381 15.0211 15.0211 15.4350 15.4350 15.6135 15.6135 15.7467 15.7467 17.0601 17.0601 17.9999 17.9999 18.1826 18.1826 18.5601 18.5601 19.8301 19.8301 20.3203 20.3203 21.1144 21.1144 k = 0.2665 0.5883 0.2336 ( 3592 PWs) bands (ev): 5.4597 5.4597 5.5303 5.5303 8.1720 8.1720 8.9269 8.9269 9.4910 9.4910 9.8403 9.8403 9.9212 9.9212 10.5578 10.5578 10.7605 10.7605 10.8297 10.8297 11.1281 11.1281 11.3982 11.3982 11.4880 11.4880 11.6462 11.6462 11.7513 11.7513 11.8454 11.8454 11.9821 11.9821 12.2580 12.2580 12.4928 12.4928 12.8783 12.8783 12.9513 12.9513 13.2318 13.2318 13.5053 13.5053 13.5942 13.5942 13.6938 13.6938 14.0162 14.0162 14.1060 14.1060 14.5614 14.5614 14.7024 14.7024 14.9240 14.9240 15.0422 15.0422 15.4564 15.4564 15.6441 15.6441 15.7531 15.7531 17.0331 17.0331 17.9690 17.9690 18.1382 18.1382 18.6210 18.6210 19.6718 19.6718 20.2758 20.2758 21.0976 21.0976 k = 0.2517 0.5834 0.2404 ( 3590 PWs) bands (ev): 5.4352 5.4352 5.5120 5.5120 8.2317 8.2317 8.9153 8.9153 9.4853 9.4853 9.8558 9.8558 9.9569 9.9569 10.5408 10.5408 10.7486 10.7486 10.8048 10.8048 11.1401 11.1401 11.3876 11.3876 11.4678 11.4678 11.6440 11.6440 11.7433 11.7433 11.8366 11.8366 11.9892 11.9892 12.2648 12.2648 12.4942 12.4942 12.8873 12.8873 12.9489 12.9489 13.2438 13.2438 13.5178 13.5178 13.6024 13.6024 13.7041 13.7041 14.0140 14.0140 14.1149 14.1149 14.5738 14.5738 14.7140 14.7140 14.9108 14.9108 15.0635 15.0635 15.4671 15.4671 15.6765 15.6765 15.7725 15.7725 17.0044 17.0044 17.9344 17.9344 18.0957 18.0957 18.6842 18.6842 19.5197 19.5197 20.2381 20.2381 21.0841 21.0841 k = 0.2369 0.5785 0.2473 ( 3588 PWs) bands (ev): 5.4115 5.4115 5.4921 5.4921 8.2924 8.2924 8.9037 8.9037 9.4765 9.4765 9.8789 9.8789 9.9939 9.9939 10.5264 10.5264 10.7315 10.7315 10.7819 10.7819 11.1527 11.1527 11.3750 11.3750 11.4457 11.4457 11.6419 11.6419 11.7342 11.7342 11.8262 11.8262 11.9984 11.9984 12.2740 12.2740 12.4985 12.4985 12.8962 12.8962 12.9449 12.9449 13.2536 13.2536 13.5291 13.5291 13.6071 13.6071 13.7169 13.7169 14.0118 14.0118 14.1262 14.1262 14.5836 14.5836 14.7239 14.7239 14.8999 14.8999 15.0843 15.0843 15.4673 15.4673 15.7093 15.7093 15.8052 15.8052 16.9747 16.9747 17.8956 17.8956 18.0567 18.0567 18.7458 18.7458 19.3777 19.3777 20.2069 20.2069 21.0741 21.0741 k = 0.2221 0.5736 0.2542 ( 3589 PWs) bands (ev): 5.3888 5.3888 5.4712 5.4712 8.3532 8.3532 8.8922 8.8922 9.4663 9.4663 9.9084 9.9084 10.0309 10.0309 10.5150 10.5150 10.7080 10.7080 10.7631 10.7631 11.1650 11.1650 11.3601 11.3601 11.4223 11.4223 11.6398 11.6398 11.7239 11.7239 11.8148 11.8148 12.0099 12.0099 12.2851 12.2851 12.5054 12.5054 12.9045 12.9045 12.9405 12.9405 13.2616 13.2616 13.5376 13.5376 13.6084 13.6084 13.7329 13.7329 14.0098 14.0098 14.1400 14.1400 14.5908 14.5908 14.7313 14.7313 14.8921 14.8921 15.1039 15.1039 15.4593 15.4593 15.7424 15.7424 15.8486 15.8486 16.9447 16.9447 17.8524 17.8524 18.0223 18.0223 18.7971 18.7971 19.2549 19.2549 20.1818 20.1818 21.0676 21.0676 k = 0.2073 0.5687 0.2610 ( 3587 PWs) bands (ev): 5.3671 5.3671 5.4496 5.4496 8.4130 8.4130 8.8809 8.8809 9.4566 9.4566 9.9431 9.9431 10.0664 10.0664 10.5073 10.5073 10.6791 10.6791 10.7481 10.7481 11.1764 11.1764 11.3430 11.3430 11.3985 11.3985 11.6376 11.6376 11.7126 11.7126 11.8033 11.8033 12.0235 12.0235 12.2977 12.2977 12.5142 12.5142 12.9091 12.9091 12.9388 12.9388 13.2682 13.2682 13.5417 13.5417 13.6075 13.6075 13.7516 13.7516 14.0083 14.0083 14.1557 14.1557 14.5950 14.5950 14.7363 14.7363 14.8878 14.8878 15.1217 15.1217 15.4457 15.4457 15.7767 15.7767 15.8986 15.8986 16.9154 16.9154 17.8054 17.8054 17.9925 17.9925 18.8148 18.8148 19.1748 19.1748 20.1625 20.1625 21.0647 21.0647 k = 0.1925 0.5638 0.2679 ( 3589 PWs) bands (ev): 5.3468 5.3468 5.4278 5.4278 8.4708 8.4708 8.8702 8.8702 9.4489 9.4489 9.9817 9.9817 10.0988 10.0988 10.5038 10.5038 10.6469 10.6469 10.7356 10.7356 11.1856 11.1856 11.3238 11.3238 11.3753 11.3753 11.6351 11.6351 11.7006 11.7006 11.7924 11.7924 12.0392 12.0392 12.3116 12.3116 12.5243 12.5243 12.9056 12.9056 12.9445 12.9445 13.2735 13.2735 13.5404 13.5404 13.6055 13.6055 13.7721 13.7721 14.0072 14.0072 14.1733 14.1733 14.5958 14.5958 14.7398 14.7398 14.8867 14.8867 15.1372 15.1372 15.4284 15.4284 15.8128 15.8128 15.9522 15.9522 16.8874 16.8874 17.7553 17.7553 17.9668 17.9668 18.7697 18.7697 19.1667 19.1667 20.1484 20.1484 21.0654 21.0654 k = 0.1777 0.5589 0.2748 ( 3592 PWs) bands (ev): 5.3278 5.3278 5.4061 5.4061 8.5256 8.5256 8.8600 8.8600 9.4445 9.4445 10.0232 10.0232 10.1262 10.1262 10.5053 10.5053 10.6134 10.6134 10.7249 10.7249 11.1904 11.1904 11.3034 11.3034 11.3545 11.3545 11.6319 11.6319 11.6886 11.6886 11.7825 11.7825 12.0565 12.0565 12.3264 12.3264 12.5349 12.5349 12.8959 12.8959 12.9562 12.9562 13.2777 13.2777 13.5339 13.5339 13.6031 13.6031 13.7936 13.7936 14.0068 14.0068 14.1924 14.1924 14.5932 14.5932 14.7431 14.7431 14.8876 14.8876 15.1500 15.1500 15.4088 15.4088 15.8513 15.8513 16.0073 16.0073 16.8616 16.8616 17.7031 17.7031 17.9441 17.9441 18.6771 18.6771 19.2157 19.2157 20.1392 20.1392 21.0702 21.0702 k = 0.1629 0.5540 0.2816 ( 3591 PWs) bands (ev): 5.3102 5.3102 5.3849 5.3849 8.5762 8.5762 8.8506 8.8506 9.4448 9.4448 10.0663 10.0663 10.1471 10.1471 10.5120 10.5120 10.5801 10.5801 10.7161 10.7161 11.1877 11.1877 11.2827 11.2827 11.3383 11.3383 11.6273 11.6273 11.6778 11.6778 11.7737 11.7737 12.0752 12.0752 12.3416 12.3416 12.5455 12.5455 12.8832 12.8832 12.9707 12.9707 13.2808 13.2808 13.5233 13.5233 13.5999 13.5999 13.8154 13.8154 14.0070 14.0070 14.2127 14.2127 14.5871 14.5871 14.7472 14.7472 14.8895 14.8895 15.1599 15.1599 15.3876 15.3876 15.8922 15.8922 16.0623 16.0623 16.8384 16.8384 17.6495 17.6495 17.9239 17.9239 18.5687 18.5687 19.2903 19.2903 20.1342 20.1342 21.0792 21.0792 k = 0.1480 0.5491 0.2885 ( 3588 PWs) bands (ev): 5.2943 5.2943 5.3643 5.3643 8.6218 8.6218 8.8419 8.8419 9.4506 9.4506 10.1092 10.1092 10.1604 10.1604 10.5226 10.5226 10.5497 10.5497 10.7097 10.7097 11.1746 11.1746 11.2614 11.2614 11.3301 11.3301 11.6204 11.6204 11.6697 11.6697 11.7659 11.7659 12.0950 12.0950 12.3566 12.3566 12.5560 12.5560 12.8689 12.8689 12.9871 12.9871 13.2828 13.2828 13.5101 13.5101 13.5951 13.5951 13.8368 13.8368 14.0076 14.0076 14.2339 14.2339 14.5782 14.5782 14.7527 14.7527 14.8913 14.8913 15.1671 15.1671 15.3657 15.3657 15.9352 15.9352 16.1162 16.1162 16.8184 16.8184 17.5946 17.5946 17.9055 17.9055 18.4592 18.4592 19.3757 19.3757 20.1330 20.1330 21.0931 21.0931 k = 0.1332 0.5442 0.2953 ( 3589 PWs) bands (ev): 5.2800 5.2800 5.3447 5.3447 8.6615 8.6615 8.8341 8.8341 9.4630 9.4630 10.1430 10.1430 10.1730 10.1730 10.5131 10.5131 10.5468 10.5468 10.7067 10.7067 11.1521 11.1521 11.2378 11.2378 11.3310 11.3310 11.6106 11.6106 11.6652 11.6652 11.7589 11.7589 12.1159 12.1159 12.3704 12.3704 12.5663 12.5663 12.8537 12.8537 13.0049 13.0049 13.2836 13.2836 13.4957 13.4957 13.5885 13.5885 13.8575 13.8575 14.0085 14.0085 14.2557 14.2557 14.5672 14.5672 14.7596 14.7596 14.8925 14.8925 15.1717 15.1717 15.3435 15.3435 15.9801 15.9801 16.1682 16.1682 16.8020 16.8020 17.5386 17.5386 17.8887 17.8887 18.3546 18.3546 19.4660 19.4660 20.1347 20.1347 21.1126 21.1126 k = 0.1184 0.5393 0.3022 ( 3588 PWs) bands (ev): 5.2674 5.2674 5.3262 5.3262 8.6950 8.6950 8.8272 8.8272 9.4822 9.4822 10.1441 10.1441 10.2067 10.2067 10.4882 10.4882 10.5664 10.5664 10.7084 10.7084 11.1232 11.1232 11.2113 11.2113 11.3388 11.3388 11.5983 11.5983 11.6640 11.6640 11.7525 11.7525 12.1375 12.1375 12.3820 12.3820 12.5769 12.5769 12.8380 12.8380 13.0238 13.0238 13.2828 13.2828 13.4813 13.4813 13.5800 13.5800 13.8771 13.8771 14.0094 14.0094 14.2778 14.2778 14.5547 14.5547 14.7675 14.7675 14.8924 14.8924 15.1744 15.1744 15.3215 15.3215 16.0262 16.0262 16.2175 16.2175 16.7895 16.7895 17.4812 17.4812 17.8732 17.8732 18.2581 18.2581 19.5577 19.5577 20.1386 20.1386 21.1385 21.1385 k = 0.1036 0.5344 0.3091 ( 3591 PWs) bands (ev): 5.2567 5.2567 5.3090 5.3090 8.7222 8.7222 8.8212 8.8212 9.5083 9.5083 10.1269 10.1269 10.2464 10.2464 10.4665 10.4665 10.5889 10.5889 10.7162 10.7162 11.0906 11.0906 11.1821 11.1821 11.3508 11.3508 11.5846 11.5846 11.6654 11.6654 11.7466 11.7466 12.1599 12.1599 12.3901 12.3901 12.5882 12.5882 12.8221 12.8221 13.0435 13.0435 13.2801 13.2801 13.4680 13.4680 13.5695 13.5695 13.8956 13.8956 14.0101 14.0101 14.3000 14.3000 14.5415 14.5415 14.7762 14.7762 14.8909 14.8909 15.1756 15.1756 15.3001 15.3001 16.0730 16.0730 16.2629 16.2629 16.7817 16.7817 17.4218 17.4218 17.8592 17.8592 18.1716 18.1716 19.6483 19.6483 20.1438 20.1438 21.1721 21.1721 k = 0.0888 0.5295 0.3159 ( 3597 PWs) bands (ev): 5.2478 5.2478 5.2933 5.2933 8.7436 8.7436 8.8160 8.8160 9.5409 9.5409 10.0993 10.0993 10.2837 10.2837 10.4494 10.4494 10.6119 10.6119 10.7310 10.7310 11.0558 11.0558 11.1510 11.1510 11.3653 11.3653 11.5698 11.5698 11.6686 11.6686 11.7409 11.7409 12.1828 12.1828 12.3938 12.3938 12.6010 12.6010 12.8061 12.8061 13.0639 13.0639 13.2750 13.2750 13.4572 13.4572 13.5574 13.5574 13.9128 13.9128 14.0103 14.0103 14.3220 14.3220 14.5278 14.5278 14.7853 14.7853 14.8878 14.8878 15.1761 15.1761 15.2797 15.2797 16.1196 16.1196 16.3031 16.3031 16.7797 16.7797 17.3600 17.3600 17.8472 17.8472 18.0960 18.0960 19.7357 19.7357 20.1489 20.1489 21.2145 21.2145 k = 0.0740 0.5246 0.3228 ( 3600 PWs) bands (ev): 5.2408 5.2408 5.2792 5.2792 8.7597 8.7597 8.8116 8.8116 9.5792 9.5792 10.0637 10.0637 10.3162 10.3162 10.4363 10.4363 10.6356 10.6356 10.7523 10.7523 11.0200 11.0200 11.1183 11.1183 11.3813 11.3813 11.5543 11.5543 11.6732 11.6732 11.7353 11.7353 12.2062 12.2062 12.3924 12.3924 12.6156 12.6156 12.7901 12.7901 13.0847 13.0847 13.2671 13.2671 13.4497 13.4497 13.5439 13.5439 13.9287 13.9287 14.0096 14.0096 14.3436 14.3436 14.5138 14.5138 14.7948 14.7948 14.8831 14.8831 15.1764 15.1764 15.2607 15.2607 16.1652 16.1652 16.3360 16.3360 16.7852 16.7852 17.2959 17.2959 17.8377 17.8377 18.0319 18.0319 19.8178 19.8178 20.1527 20.1527 21.2671 21.2671 k = 0.0592 0.5197 0.3297 ( 3598 PWs) bands (ev): 5.2358 5.2358 5.2668 5.2668 8.7717 8.7717 8.8078 8.8078 9.6224 9.6224 10.0219 10.0219 10.3429 10.3429 10.4266 10.4266 10.6614 10.6614 10.7776 10.7776 10.9844 10.9844 11.0845 11.0845 11.3983 11.3983 11.5382 11.5382 11.6788 11.6788 11.7296 11.7296 12.2297 12.2297 12.3858 12.3858 12.6319 12.6319 12.7741 12.7741 13.1057 13.1057 13.2560 13.2560 13.4464 13.4464 13.5295 13.5295 13.9432 13.9432 14.0079 14.0079 14.3644 14.3644 14.4997 14.4997 14.8044 14.8044 14.8771 14.8771 15.1772 15.1772 15.2434 15.2434 16.2088 16.2088 16.3597 16.3597 16.8002 16.8002 17.2296 17.2296 17.8315 17.8315 17.9787 17.9787 19.8926 19.8926 20.1535 20.1535 21.3310 21.3310 k = 0.0444 0.5148 0.3365 ( 3602 PWs) bands (ev): 5.2327 5.2327 5.2562 5.2562 8.7803 8.7803 8.8045 8.8045 9.6694 9.6694 9.9757 9.9757 10.3637 10.3637 10.4190 10.4190 10.6903 10.6903 10.8031 10.8031 10.9515 10.9515 11.0500 11.0500 11.4158 11.4158 11.5216 11.5216 11.6850 11.6850 11.7238 11.7238 12.2534 12.2534 12.3747 12.3747 12.6495 12.6495 12.7577 12.7577 13.1267 13.1267 13.2421 13.2421 13.4474 13.4474 13.5145 13.5145 13.9564 13.9564 14.0049 14.0049 14.3845 14.3845 14.4852 14.4852 14.8142 14.8142 14.8699 14.8699 15.1790 15.1790 15.2279 15.2279 16.2495 16.2495 16.3723 16.3723 16.8263 16.8263 17.1621 17.1621 17.8294 17.8294 17.9356 17.9356 19.9586 19.9586 20.1499 20.1499 21.4069 21.4069 k = 0.0296 0.5099 0.3434 ( 3602 PWs) bands (ev): 5.2317 5.2317 5.2474 5.2474 8.7867 8.7867 8.8015 8.8015 9.7190 9.7190 9.9263 9.9263 10.3791 10.3791 10.4125 10.4125 10.7224 10.7224 10.8204 10.8204 10.9285 10.9285 11.0155 11.0155 11.4337 11.4337 11.5046 11.5046 11.6916 11.6916 11.7178 11.7178 12.2768 12.2768 12.3597 12.3597 12.6680 12.6680 12.7408 12.7408 13.1476 13.1476 13.2257 13.2257 13.4525 13.4525 13.4995 13.4995 13.9681 13.9681 14.0005 14.0005 14.4036 14.4036 14.4704 14.4704 14.8240 14.8240 14.8617 14.8617 15.1823 15.1823 15.2145 15.2145 16.2865 16.2865 16.3733 16.3733 16.8638 16.8638 17.0947 17.0947 17.8322 17.8322 17.9012 17.9012 20.0149 20.0149 20.1401 20.1401 21.4947 21.4947 k = 0.0148 0.5050 0.3503 ( 3596 PWs) bands (ev): 5.2326 5.2326 5.2405 5.2405 8.7914 8.7914 8.7985 8.7985 9.7705 9.7705 9.8750 9.8750 10.3906 10.3906 10.4062 10.4062 10.7564 10.7564 10.8153 10.8153 10.9289 10.9289 10.9818 10.9818 11.4516 11.4516 11.4872 11.4872 11.6983 11.6983 11.7115 11.7115 12.2996 12.2996 12.3417 12.3417 12.6868 12.6868 12.7234 12.7234 13.1682 13.1682 13.2076 13.2076 13.4609 13.4609 13.4852 13.4852 13.9785 13.9785 13.9947 13.9947 14.4217 14.4217 14.4550 14.4550 14.8337 14.8337 14.8528 14.8528 15.1873 15.1873 15.2033 15.2033 16.3187 16.3187 16.3636 16.3636 16.9115 16.9115 17.0291 17.0291 17.8404 17.8404 17.8744 17.8744 20.0609 20.0609 20.1228 20.1228 21.5931 21.5931 k = 0.0000 0.5001 0.3571 ( 3602 PWs) bands (ev): 5.2354 5.2354 5.2357 5.2357 8.7950 8.7950 8.7954 8.7954 9.8226 9.8226 9.8230 9.8230 10.3992 10.3992 10.3992 10.3992 10.7895 10.7895 10.7896 10.7896 10.9508 10.9508 10.9511 10.9511 11.4690 11.4690 11.4700 11.4700 11.7049 11.7049 11.7051 11.7051 12.3213 12.3213 12.3216 12.3216 12.7051 12.7051 12.7056 12.7056 13.1883 13.1883 13.1883 13.1883 13.4719 13.4719 13.4723 13.4723 13.9870 13.9870 13.9876 13.9876 14.4388 14.4388 14.4388 14.4388 14.8433 14.8433 14.8435 14.8435 15.1942 15.1942 15.1943 15.1943 16.3448 16.3448 16.3449 16.3449 16.9671 16.9671 16.9675 16.9675 17.8540 17.8540 17.8545 17.8545 20.0965 20.0965 20.0968 20.0968 21.6990 21.6991 k = 0.0000 0.5001 0.3571 ( 3602 PWs) bands (ev): 5.2354 5.2354 5.2357 5.2357 8.7950 8.7950 8.7954 8.7954 9.8226 9.8226 9.8230 9.8230 10.3992 10.3992 10.3992 10.3992 10.7895 10.7895 10.7896 10.7896 10.9508 10.9508 10.9511 10.9511 11.4690 11.4690 11.4700 11.4700 11.7049 11.7049 11.7051 11.7051 12.3213 12.3213 12.3216 12.3216 12.7051 12.7051 12.7056 12.7056 13.1883 13.1883 13.1883 13.1883 13.4719 13.4719 13.4723 13.4723 13.9870 13.9870 13.9876 13.9876 14.4388 14.4388 14.4388 14.4388 14.8433 14.8433 14.8435 14.8435 15.1942 15.1942 15.1943 15.1943 16.3448 16.3448 16.3449 16.3449 16.9671 16.9671 16.9675 16.9675 17.8540 17.8540 17.8545 17.8545 20.0965 20.0965 20.0968 20.0968 21.6990 21.6991 k = 0.0086 0.4913 0.3694 ( 3598 PWs) bands (ev): 5.2365 5.2365 5.2368 5.2368 8.7947 8.7947 8.7955 8.7955 9.8176 9.8176 9.8220 9.8220 10.3969 10.3969 10.4033 10.4033 10.7866 10.7866 10.7885 10.7885 10.9531 10.9531 10.9536 10.9536 11.4625 11.4625 11.4741 11.4741 11.6999 11.6999 11.7117 11.7117 12.3149 12.3149 12.3252 12.3252 12.7029 12.7029 12.7079 12.7079 13.1808 13.1808 13.1962 13.1962 13.4720 13.4720 13.4731 13.4731 13.9796 13.9796 13.9960 13.9960 14.4347 14.4347 14.4439 14.4439 14.8363 14.8363 14.8494 14.8494 15.1943 15.1943 15.1952 15.1952 16.3164 16.3164 16.3633 16.3633 16.9606 16.9606 16.9881 16.9881 17.8554 17.8554 17.8584 17.8584 20.0816 20.0816 20.0938 20.0938 21.6819 21.6819 k = 0.0172 0.4825 0.3818 ( 3604 PWs) bands (ev): 5.2395 5.2395 5.2399 5.2399 8.7940 8.7940 8.7953 8.7953 9.8067 9.8067 9.8152 9.8152 10.3963 10.3963 10.4089 10.4089 10.7801 10.7801 10.7839 10.7839 10.9598 10.9598 10.9607 10.9607 11.4536 11.4536 11.4760 11.4760 11.6970 11.6970 11.7195 11.7195 12.3059 12.3059 12.3260 12.3260 12.7005 12.7005 12.7105 12.7105 13.1739 13.1739 13.2044 13.2044 13.4727 13.4727 13.4750 13.4750 13.9729 13.9729 14.0054 14.0054 14.4320 14.4320 14.4497 14.4497 14.8281 14.8281 14.8542 14.8542 15.1957 15.1957 15.1969 15.1969 16.2810 16.2810 16.3698 16.3698 16.9694 16.9694 17.0201 17.0201 17.8618 17.8618 17.8675 17.8675 20.0496 20.0496 20.0737 20.0737 21.6638 21.6638 k = 0.0259 0.4737 0.3941 ( 3600 PWs) bands (ev): 5.2445 5.2445 5.2450 5.2450 8.7928 8.7928 8.7949 8.7949 9.7905 9.7905 9.8028 9.8028 10.3974 10.3974 10.4158 10.4158 10.7710 10.7710 10.7763 10.7763 10.9700 10.9700 10.9715 10.9715 11.4433 11.4433 11.4751 11.4751 11.6965 11.6965 11.7278 11.7278 12.2948 12.2948 12.3238 12.3238 12.6983 12.6983 12.7133 12.7133 13.1674 13.1674 13.2129 13.2129 13.4741 13.4741 13.4779 13.4779 13.9673 13.9673 14.0152 14.0152 14.4308 14.4308 14.4559 14.4559 14.8190 14.8190 14.8579 14.8579 15.1987 15.1987 15.1991 15.1991 16.2412 16.2412 16.3644 16.3644 16.9931 16.9931 17.0603 17.0603 17.8739 17.8739 17.8818 17.8818 20.0031 20.0031 20.0384 20.0384 21.6480 21.6480 k = 0.0345 0.4649 0.4064 ( 3600 PWs) bands (ev): 5.2516 5.2516 5.2521 5.2521 8.7912 8.7912 8.7939 8.7939 9.7697 9.7697 9.7853 9.7853 10.3997 10.3997 10.4234 10.4234 10.7599 10.7599 10.7668 10.7668 10.9828 10.9828 10.9851 10.9851 11.4321 11.4321 11.4714 11.4714 11.6984 11.6984 11.7360 11.7360 12.2819 12.2819 12.3185 12.3185 12.6963 12.6963 12.7164 12.7164 13.1614 13.1614 13.2215 13.2215 13.4759 13.4759 13.4818 13.4818 13.9629 13.9629 14.0250 14.0250 14.4315 14.4315 14.4620 14.4620 14.8091 14.8091 14.8604 14.8604 15.2015 15.2015 15.2038 15.2038 16.1997 16.1997 16.3488 16.3488 17.0287 17.0287 17.1059 17.1059 17.8921 17.8921 17.9016 17.9016 19.9452 19.9452 19.9911 19.9911 21.6356 21.6356 k = 0.0431 0.4561 0.4187 ( 3594 PWs) bands (ev): 5.2605 5.2605 5.2612 5.2612 8.7888 8.7888 8.7922 8.7922 9.7451 9.7451 9.7635 9.7635 10.4030 10.4030 10.4313 10.4313 10.7477 10.7477 10.7559 10.7559 10.9976 10.9976 11.0009 11.0009 11.4206 11.4206 11.4655 11.4655 11.7024 11.7024 11.7436 11.7436 12.2676 12.2676 12.3103 12.3103 12.6945 12.6945 12.7201 12.7201 13.1559 13.1559 13.2301 13.2301 13.4780 13.4780 13.4866 13.4866 13.9596 13.9596 14.0345 14.0345 14.4343 14.4343 14.4676 14.4676 14.7989 14.7989 14.8617 14.8617 15.2041 15.2041 15.2109 15.2109 16.1579 16.1579 16.3256 16.3256 17.0726 17.0726 17.1545 17.1545 17.9170 17.9170 17.9270 17.9270 19.8793 19.8793 19.9352 19.9352 21.6262 21.6262 k = 0.0517 0.4473 0.4310 ( 3596 PWs) bands (ev): 5.2714 5.2714 5.2722 5.2722 8.7854 8.7854 8.7896 8.7896 9.7175 9.7175 9.7382 9.7382 10.4066 10.4066 10.4391 10.4391 10.7349 10.7349 10.7443 10.7443 11.0138 11.0138 11.0182 11.0182 11.4091 11.4091 11.4579 11.4579 11.7081 11.7081 11.7502 11.7502 12.2524 12.2524 12.2992 12.2992 12.6929 12.6929 12.7243 12.7243 13.1510 13.1510 13.2383 13.2383 13.4804 13.4804 13.4923 13.4923 13.9572 13.9572 14.0431 14.0431 14.4393 14.4393 14.4723 14.4723 14.7888 14.7888 14.8617 14.8617 15.2069 15.2069 15.2200 15.2200 16.1171 16.1171 16.2971 16.2971 17.1210 17.1210 17.2039 17.2039 17.9491 17.9491 17.9584 17.9584 19.8088 19.8088 19.8742 19.8742 21.6194 21.6194 k = 0.0603 0.4385 0.4433 ( 3596 PWs) bands (ev): 5.2841 5.2841 5.2849 5.2849 8.7808 8.7808 8.7858 8.7858 9.6878 9.6878 9.7104 9.7104 10.4100 10.4100 10.4462 10.4462 10.7218 10.7218 10.7325 10.7325 11.0310 11.0310 11.0369 11.0369 11.3980 11.3980 11.4490 11.4490 11.7151 11.7151 11.7556 11.7556 12.2366 12.2366 12.2858 12.2858 12.6915 12.6915 12.7294 12.7294 13.1466 13.1466 13.2457 13.2457 13.4831 13.4831 13.4989 13.4989 13.9556 13.9556 14.0505 14.0505 14.4464 14.4464 14.4756 14.4756 14.7795 14.7795 14.8602 14.8602 15.2100 15.2100 15.2312 15.2312 16.0781 16.0781 16.2652 16.2652 17.1705 17.1705 17.2524 17.2524 17.9889 17.9889 17.9958 17.9958 19.7369 19.7369 19.8114 19.8114 21.6145 21.6145 k = 0.0690 0.4297 0.4556 ( 3600 PWs) bands (ev): 5.2985 5.2985 5.2994 5.2994 8.7746 8.7746 8.7803 8.7803 9.6570 9.6570 9.6812 9.6812 10.4127 10.4127 10.4523 10.4523 10.7088 10.7088 10.7209 10.7209 11.0490 11.0490 11.0565 11.0565 11.3874 11.3874 11.4393 11.4393 11.7229 11.7229 11.7594 11.7594 12.2207 12.2207 12.2704 12.2704 12.6902 12.6902 12.7355 12.7355 13.1427 13.1427 13.2519 13.2519 13.4863 13.4863 13.5062 13.5062 13.9546 13.9546 14.0565 14.0565 14.4555 14.4555 14.4771 14.4771 14.7716 14.7716 14.8572 14.8572 15.2136 15.2136 15.2443 15.2443 16.0416 16.0416 16.2313 16.2313 17.2186 17.2186 17.2984 17.2984 18.0363 18.0363 18.0390 18.0390 19.6663 19.6663 19.7496 19.7496 21.6110 21.6110 k = 0.0776 0.4210 0.4680 ( 3600 PWs) bands (ev): 5.3145 5.3145 5.3156 5.3156 8.7664 8.7664 8.7728 8.7728 9.6261 9.6261 9.6516 9.6516 10.4139 10.4139 10.4566 10.4566 10.6963 10.6963 10.7098 10.7098 11.0677 11.0677 11.0771 11.0771 11.3777 11.3777 11.4292 11.4292 11.7309 11.7309 11.7616 11.7616 12.2051 12.2051 12.2537 12.2537 12.6889 12.6889 12.7425 12.7425 13.1394 13.1394 13.2562 13.2562 13.4903 13.4903 13.5141 13.5141 13.9538 13.9538 14.0607 14.0607 14.4663 14.4663 14.4764 14.4764 14.7656 14.7656 14.8524 14.8524 15.2177 15.2177 15.2591 15.2591 16.0079 16.0079 16.1962 16.1962 17.2635 17.2635 17.3410 17.3410 18.0871 18.0871 18.0908 18.0908 19.5996 19.5996 19.6918 19.6918 21.6082 21.6082 k = 0.0862 0.4122 0.4803 ( 3602 PWs) bands (ev): 5.3321 5.3321 5.3332 5.3332 8.7557 8.7557 8.7628 8.7628 9.5960 9.5960 9.6225 9.6225 10.4133 10.4133 10.4587 10.4587 10.6849 10.6849 10.6999 10.6999 11.0869 11.0869 11.0984 11.0984 11.3687 11.3687 11.4189 11.4189 11.7389 11.7389 11.7621 11.7621 12.1903 12.1903 12.2361 12.2361 12.6874 12.6874 12.7506 12.7506 13.1368 13.1368 13.2581 13.2581 13.4955 13.4955 13.5226 13.5226 13.9529 13.9529 14.0632 14.0632 14.4732 14.4732 14.4783 14.4783 14.7620 14.7620 14.8460 14.8460 15.2224 15.2224 15.2752 15.2752 15.9772 15.9772 16.1606 16.1606 17.3041 17.3041 17.3795 17.3795 18.1388 18.1388 18.1509 18.1509 19.5394 19.5394 19.6404 19.6404 21.6056 21.6056 k = 0.0948 0.4034 0.4926 ( 3600 PWs) bands (ev): 5.3511 5.3511 5.3522 5.3522 8.7423 8.7423 8.7500 8.7500 9.5678 9.5678 9.5950 9.5950 10.4101 10.4101 10.4577 10.4577 10.6753 10.6753 10.6917 10.6917 11.1065 11.1065 11.1203 11.1203 11.3606 11.3606 11.4086 11.4086 11.7464 11.7464 11.7608 11.7608 12.1766 12.1766 12.2185 12.2185 12.6857 12.6857 12.7597 12.7597 13.1348 13.1348 13.2571 13.2571 13.5022 13.5022 13.5312 13.5312 13.9517 13.9517 14.0640 14.0640 14.4679 14.4679 14.4908 14.4908 14.7609 14.7609 14.8381 14.8381 15.2280 15.2280 15.2925 15.2925 15.9498 15.9498 16.1252 16.1252 17.3401 17.3401 17.4135 17.4135 18.1919 18.1919 18.2144 18.2144 19.4883 19.4883 19.5983 19.5983 21.6028 21.6028 k = 0.1034 0.3946 0.5049 ( 3606 PWs) bands (ev): 5.3712 5.3712 5.3725 5.3725 8.7257 8.7257 8.7339 8.7339 9.5422 9.5422 9.5700 9.5700 10.4039 10.4039 10.4531 10.4531 10.6680 10.6680 10.6856 10.6856 11.1263 11.1263 11.1426 11.1426 11.3532 11.3532 11.3984 11.3984 11.7529 11.7529 11.7580 11.7580 12.1645 12.1645 12.2016 12.2016 12.6836 12.6836 12.7697 12.7697 13.1337 13.1337 13.2530 13.2530 13.5105 13.5105 13.5398 13.5398 13.9499 13.9499 14.0632 14.0632 14.4605 14.4605 14.5031 14.5031 14.7622 14.7622 14.8289 14.8289 15.2344 15.2344 15.3105 15.3105 15.9258 15.9258 16.0902 16.0902 17.3713 17.3713 17.4432 17.4432 18.2441 18.2441 18.2781 18.2781 19.4491 19.4491 19.5678 19.5678 21.5991 21.5991 k = 0.1121 0.3858 0.5172 ( 3600 PWs) bands (ev): 5.3925 5.3925 5.3938 5.3938 8.7059 8.7059 8.7143 8.7143 9.5200 9.5200 9.5480 9.5480 10.3944 10.3944 10.4444 10.4444 10.6638 10.6638 10.6820 10.6820 11.1463 11.1463 11.1650 11.1650 11.3465 11.3465 11.3884 11.3884 11.7534 11.7534 11.7584 11.7584 12.1542 12.1542 12.1862 12.1862 12.6809 12.6809 12.7804 12.7804 13.1336 13.1336 13.2459 13.2459 13.5203 13.5203 13.5481 13.5481 13.9472 13.9472 14.0611 14.0611 14.4515 14.4515 14.5144 14.5144 14.7657 14.7657 14.8189 14.8189 15.2417 15.2417 15.3290 15.3290 15.9051 15.9051 16.0561 16.0561 17.3981 17.3981 17.4688 17.4688 18.2924 18.2924 18.3384 18.3384 19.4248 19.4248 19.5513 19.5513 21.5939 21.5939 k = 0.1207 0.3770 0.5295 ( 3594 PWs) bands (ev): 5.4146 5.4146 5.4159 5.4159 8.6827 8.6827 8.6912 8.6912 9.5018 9.5018 9.5297 9.5297 10.3818 10.3818 10.4315 10.4315 10.6628 10.6628 10.6811 10.6811 11.1662 11.1662 11.1871 11.1871 11.3402 11.3402 11.3787 11.3787 11.7479 11.7479 11.7619 11.7619 12.1459 12.1459 12.1731 12.1731 12.6776 12.6776 12.7915 12.7915 13.1344 13.1344 13.2359 13.2359 13.5314 13.5314 13.5558 13.5558 13.9436 13.9436 14.0578 14.0578 14.4416 14.4416 14.5239 14.5239 14.7708 14.7708 14.8087 14.8087 15.2500 15.2500 15.3476 15.3476 15.8877 15.8877 16.0232 16.0232 17.4210 17.4210 17.4906 17.4906 18.3344 18.3344 18.3915 18.3915 19.4182 19.4182 19.5507 19.5507 21.5865 21.5865 k = 0.1293 0.3682 0.5418 ( 3594 PWs) bands (ev): 5.4374 5.4374 5.4387 5.4387 8.6564 8.6564 8.6648 8.6648 9.4877 9.4877 9.5154 9.5154 10.3660 10.3660 10.4148 10.4148 10.6650 10.6650 10.6828 10.6828 11.1857 11.1857 11.2085 11.2085 11.3342 11.3342 11.3694 11.3694 11.7415 11.7415 11.7635 11.7635 12.1400 12.1400 12.1630 12.1630 12.6735 12.6735 12.8027 12.8027 13.1363 13.1363 13.2237 13.2237 13.5432 13.5432 13.5627 13.5627 13.9390 13.9390 14.0535 14.0535 14.4312 14.4312 14.5309 14.5309 14.7771 14.7771 14.7991 14.7991 15.2590 15.2590 15.3660 15.3660 15.8733 15.8733 15.9918 15.9918 17.4404 17.4404 17.5088 17.5088 18.3681 18.3681 18.4340 18.4340 19.4313 19.4313 19.5668 19.5668 21.5758 21.5758 k = 0.1379 0.3594 0.5542 ( 3588 PWs) bands (ev): 5.4606 5.4606 5.4619 5.4619 8.6274 8.6274 8.6355 8.6355 9.4780 9.4780 9.5051 9.5051 10.3478 10.3478 10.3948 10.3948 10.6699 10.6699 10.6869 10.6869 11.2045 11.2045 11.2286 11.2286 11.3284 11.3284 11.3609 11.3609 11.7345 11.7345 11.7628 11.7628 12.1364 12.1364 12.1566 12.1566 12.6687 12.6687 12.8135 12.8135 13.1392 13.1392 13.2097 13.2097 13.5552 13.5552 13.5683 13.5683 13.9336 13.9336 14.0484 14.0484 14.4210 14.4210 14.5345 14.5345 14.7840 14.7840 14.7906 14.7906 15.2689 15.2689 15.3837 15.3837 15.8617 15.8617 15.9623 15.9623 17.4568 17.4568 17.5240 17.5240 18.3930 18.3930 18.4645 18.4645 19.4642 19.4642 19.5993 19.5993 21.5612 21.5612 k = 0.1466 0.3506 0.5665 ( 3584 PWs) bands (ev): 5.4839 5.4839 5.4852 5.4852 8.5961 8.5961 8.6037 8.6037 9.4723 9.4723 9.4986 9.4986 10.3275 10.3275 10.3724 10.3724 10.6770 10.6770 10.6930 10.6930 11.2221 11.2221 11.2464 11.2464 11.3230 11.3230 11.3536 11.3536 11.7273 11.7273 11.7599 11.7599 12.1353 12.1353 12.1544 12.1544 12.6631 12.6631 12.8234 12.8234 13.1432 13.1432 13.1948 13.1948 13.5669 13.5669 13.5726 13.5726 13.9275 13.9275 14.0426 14.0426 14.4113 14.4113 14.5345 14.5345 14.7840 14.7840 14.7912 14.7912 15.2797 15.2797 15.4004 15.4004 15.8526 15.8526 15.9350 15.9350 17.4704 17.4704 17.5361 17.5361 18.4094 18.4094 18.4832 18.4832 19.5153 19.5153 19.6464 19.6464 21.5419 21.5419 k = 0.1552 0.3418 0.5788 ( 3578 PWs) bands (ev): 5.5071 5.5071 5.5084 5.5084 8.5633 8.5633 8.5704 8.5704 9.4703 9.4703 9.4956 9.4956 10.3058 10.3058 10.3482 10.3482 10.6860 10.6860 10.7008 10.7008 11.2377 11.2377 11.2606 11.2606 11.3183 11.3183 11.3485 11.3485 11.7202 11.7202 11.7549 11.7549 12.1367 12.1367 12.1564 12.1564 12.6569 12.6569 12.8315 12.8315 13.1479 13.1479 13.1797 13.1797 13.5755 13.5755 13.5777 13.5777 13.9212 13.9212 14.0362 14.0362 14.4026 14.4026 14.5307 14.5307 14.7797 14.7797 14.7981 14.7981 15.2911 15.2911 15.4157 15.4157 15.8457 15.8457 15.9103 15.9103 17.4818 17.4818 17.5455 17.5455 18.4190 18.4190 18.4921 18.4921 19.5809 19.5809 19.7053 19.7053 21.5176 21.5176 k = 0.1638 0.3330 0.5911 ( 3578 PWs) bands (ev): 5.5299 5.5299 5.5312 5.5312 8.5297 8.5297 8.5362 8.5362 9.4716 9.4716 9.4958 9.4958 10.2833 10.2833 10.3230 10.3230 10.6962 10.6962 10.7098 10.7098 11.2502 11.2502 11.2695 11.2695 11.3153 11.3153 11.3470 11.3470 11.7135 11.7135 11.7482 11.7482 12.1406 12.1406 12.1625 12.1625 12.6503 12.6503 12.8371 12.8371 13.1532 13.1532 13.1656 13.1656 13.5769 13.5769 13.5869 13.5869 13.9151 13.9151 14.0292 14.0292 14.3951 14.3951 14.5236 14.5236 14.7776 14.7776 14.8046 14.8046 15.3033 15.3033 15.4292 15.4292 15.8405 15.8405 15.8882 15.8882 17.4912 17.4912 17.5524 17.5524 18.4234 18.4234 18.4938 18.4938 19.6569 19.6569 19.7727 19.7727 21.4882 21.4882 k = 0.1724 0.3242 0.6034 ( 3578 PWs) bands (ev): 5.5520 5.5520 5.5532 5.5532 8.4963 8.4963 8.5021 8.5021 9.4757 9.4757 9.4985 9.4985 10.2605 10.2605 10.2974 10.2974 10.7072 10.7072 10.7197 10.7197 11.2578 11.2578 11.2723 11.2723 11.3156 11.3156 11.3497 11.3497 11.7074 11.7074 11.7403 11.7403 12.1469 12.1469 12.1721 12.1721 12.6435 12.6435 12.8390 12.8390 13.1533 13.1533 13.1590 13.1590 13.5770 13.5770 13.5941 13.5941 13.9099 13.9099 14.0218 14.0218 14.3891 14.3891 14.5137 14.5137 14.7774 14.7774 14.8102 14.8102 15.3160 15.3160 15.4407 15.4407 15.8366 15.8366 15.8692 15.8692 17.4990 17.4990 17.5570 17.5570 18.4246 18.4246 18.4908 18.4908 19.7389 19.7389 19.8452 19.8452 21.4544 21.4544 k = 0.1810 0.3154 0.6157 ( 3574 PWs) bands (ev): 5.5730 5.5730 5.5742 5.5742 8.4638 8.4638 8.4689 8.4689 9.4820 9.4820 9.5032 9.5032 10.2382 10.2382 10.2720 10.2720 10.7188 10.7188 10.7300 10.7300 11.2593 11.2593 11.2697 11.2697 11.3201 11.3201 11.3557 11.3557 11.7019 11.7019 11.7318 11.7318 12.1555 12.1555 12.1847 12.1847 12.6370 12.6370 12.8364 12.8364 13.1440 13.1440 13.1647 13.1647 13.5760 13.5760 13.5990 13.5990 13.9059 13.9059 14.0137 14.0137 14.3846 14.3846 14.5019 14.5019 14.7789 14.7789 14.8148 14.8148 15.3292 15.3292 15.4497 15.4497 15.8338 15.8338 15.8533 15.8533 17.5053 17.5053 17.5595 17.5595 18.4242 18.4242 18.4852 18.4852 19.8234 19.8234 19.9197 19.9197 21.4171 21.4171 k = 0.1897 0.3066 0.6280 ( 3570 PWs) bands (ev): 5.5926 5.5926 5.5937 5.5937 8.4330 8.4330 8.4374 8.4374 9.4899 9.4899 9.5093 9.5093 10.2168 10.2168 10.2473 10.2473 10.7305 10.7305 10.7404 10.7404 11.2562 11.2562 11.2639 11.2639 11.3279 11.3279 11.3628 11.3628 11.6973 11.6973 11.7232 11.7232 12.1660 12.1660 12.1991 12.1991 12.6313 12.6313 12.8287 12.8287 13.1384 13.1384 13.1701 13.1701 13.5741 13.5741 13.6013 13.6013 13.9037 13.9037 14.0052 14.0052 14.3818 14.3818 14.4890 14.4890 14.7815 14.7815 14.8182 14.8182 15.3427 15.3427 15.4561 15.4561 15.8316 15.8316 15.8407 15.8407 17.5106 17.5106 17.5601 17.5601 18.4232 18.4232 18.4782 18.4782 19.9070 19.9070 19.9931 19.9931 21.3776 21.3776 k = 0.1983 0.2978 0.6404 ( 3572 PWs) bands (ev): 5.6105 5.6105 5.6115 5.6115 8.4046 8.4046 8.4083 8.4083 9.4987 9.4987 9.5162 9.5162 10.1970 10.1970 10.2240 10.2240 10.7420 10.7420 10.7506 10.7506 11.2504 11.2504 11.2565 11.2565 11.3369 11.3369 11.3696 11.3696 11.6934 11.6934 11.7151 11.7151 12.1782 12.1782 12.2143 12.2143 12.6271 12.6271 12.8156 12.8156 13.1366 13.1366 13.1747 13.1747 13.5719 13.5719 13.6012 13.6012 13.9035 13.9035 13.9963 13.9963 14.3806 14.3806 14.4756 14.4756 14.7850 14.7850 14.8205 14.8205 15.3564 15.3564 15.4597 15.4597 15.8298 15.8298 15.8311 15.8311 17.5151 17.5151 17.5592 17.5592 18.4224 18.4224 18.4709 18.4709 19.9871 19.9871 20.0628 20.0628 21.3374 21.3374 k = 0.2069 0.2890 0.6527 ( 3572 PWs) bands (ev): 5.6263 5.6263 5.6271 5.6271 8.3794 8.3794 8.3825 8.3825 9.5079 9.5079 9.5231 9.5231 10.1793 10.1793 10.2024 10.2024 10.7528 10.7528 10.7600 10.7600 11.2437 11.2437 11.2487 11.2487 11.3460 11.3460 11.3751 11.3751 11.6903 11.6903 11.7077 11.7077 12.1915 12.1915 12.2289 12.2289 12.6253 12.6253 12.7978 12.7978 13.1383 13.1383 13.1782 13.1782 13.5697 13.5697 13.5988 13.5988 13.9053 13.9053 13.9869 13.9869 14.3812 14.3812 14.4623 14.4623 14.7891 14.7891 14.8215 14.8215 15.3700 15.3700 15.4607 15.4607 15.8244 15.8244 15.8282 15.8282 17.5190 17.5190 17.5571 17.5571 18.4223 18.4223 18.4637 18.4637 20.0614 20.0614 20.1264 20.1264 21.2974 21.2974 k = 0.2155 0.2803 0.6650 ( 3574 PWs) bands (ev): 5.6397 5.6397 5.6405 5.6405 8.3580 8.3580 8.3604 8.3604 9.5169 9.5169 9.5296 9.5296 10.1643 10.1643 10.1833 10.1833 10.7625 10.7625 10.7684 10.7684 11.2371 11.2371 11.2412 11.2412 11.3544 11.3544 11.3790 11.3790 11.6880 11.6880 11.7013 11.7013 12.2054 12.2054 12.2415 12.2415 12.6270 12.6270 12.7763 12.7763 13.1428 13.1428 13.1803 13.1803 13.5681 13.5681 13.5947 13.5947 13.9091 13.9091 13.9772 13.9772 14.3833 14.3833 14.4494 14.4494 14.7935 14.7935 14.8214 14.8214 15.3835 15.3835 15.4590 15.4590 15.8202 15.8202 15.8266 15.8266 17.5227 17.5227 17.5540 17.5540 18.4231 18.4231 18.4569 18.4569 20.1277 20.1277 20.1814 20.1814 21.2575 21.2575 k = 0.2241 0.2715 0.6773 ( 3570 PWs) bands (ev): 5.6505 5.6505 5.6511 5.6511 8.3408 8.3408 8.3427 8.3427 9.5251 9.5251 9.5349 9.5349 10.1525 10.1525 10.1672 10.1672 10.7708 10.7708 10.7753 10.7753 11.2312 11.2312 11.2346 11.2346 11.3620 11.3620 11.3812 11.3812 11.6864 11.6864 11.6960 11.6960 12.2193 12.2193 12.2507 12.2507 12.6329 12.6329 12.7522 12.7522 13.1491 13.1491 13.1805 13.1805 13.5675 13.5675 13.5896 13.5896 13.9146 13.9146 13.9673 13.9673 14.3870 14.3870 14.4373 14.4373 14.7981 14.7981 14.8201 14.8201 15.3966 15.3966 15.4550 15.4550 15.8181 15.8181 15.8249 15.8249 17.5262 17.5262 17.5502 17.5502 18.4249 18.4249 18.4506 18.4506 20.1840 20.1840 20.2257 20.2257 21.2239 21.2239 k = 0.2328 0.2627 0.6896 ( 3578 PWs) bands (ev): 5.6584 5.6584 5.6589 5.6589 8.3282 8.3282 8.3296 8.3296 9.5319 9.5319 9.5386 9.5386 10.1445 10.1445 10.1544 10.1544 10.7772 10.7772 10.7803 10.7803 11.2266 11.2266 11.2295 11.2295 11.3684 11.3684 11.3816 11.3816 11.6856 11.6856 11.6919 11.6919 12.2321 12.2321 12.2555 12.2555 12.6437 12.6437 12.7270 12.7270 13.1563 13.1563 13.1788 13.1788 13.5682 13.5682 13.5840 13.5840 13.9214 13.9214 13.9574 13.9574 14.3922 14.3922 14.4260 14.4260 14.8026 14.8026 14.8179 14.8179 15.4091 15.4091 15.4489 15.4489 15.8176 15.8176 15.8231 15.8231 17.5299 17.5299 17.5461 17.5461 18.4275 18.4275 18.4449 18.4449 20.2285 20.2285 20.2571 20.2571 21.1988 21.1988 k = 0.2414 0.2539 0.7019 ( 3580 PWs) bands (ev): 5.6632 5.6632 5.6636 5.6636 8.3207 8.3207 8.3216 8.3216 9.5369 9.5369 9.5403 9.5403 10.1405 10.1405 10.1456 10.1456 10.7814 10.7814 10.7832 10.7832 11.2238 11.2238 11.2263 11.2263 11.3737 11.3737 11.3805 11.3805 11.6856 11.6856 11.6890 11.6890 12.2432 12.2432 12.2557 12.2557 12.6593 12.6593 12.7022 12.7022 13.1635 13.1635 13.1753 13.1753 13.5703 13.5703 13.5786 13.5786 13.9294 13.9294 13.9477 13.9477 14.3988 14.3988 14.4158 14.4158 14.8070 14.8070 14.8150 14.8150 15.4207 15.4207 15.4409 15.4409 15.8182 15.8182 15.8212 15.8212 17.5337 17.5337 17.5419 17.5419 18.4309 18.4309 18.4397 18.4397 20.2591 20.2591 20.2738 20.2738 21.1836 21.1836 k = 0.2500 0.2451 0.7142 ( 3576 PWs) bands (ev): 5.6648 5.6648 5.6652 5.6652 8.3182 8.3182 8.3189 8.3189 9.5397 9.5397 9.5398 9.5398 10.1407 10.1407 10.1411 10.1411 10.7830 10.7830 10.7840 10.7840 11.2228 11.2228 11.2252 11.2252 11.3770 11.3770 11.3785 11.3785 11.6860 11.6860 11.6877 11.6877 12.2512 12.2512 12.2514 12.2514 12.6785 12.6785 12.6799 12.6799 13.1695 13.1695 13.1706 13.1706 13.5734 13.5734 13.5743 13.5743 13.9378 13.9378 13.9387 13.9387 14.4065 14.4065 14.4069 14.4069 14.8105 14.8105 14.8120 14.8120 15.4306 15.4306 15.4324 15.4324 15.8193 15.8193 15.8198 15.8198 17.5372 17.5372 17.5382 17.5382 18.4347 18.4347 18.4353 18.4353 20.2743 20.2743 20.2747 20.2747 21.1794 21.1795 k = 0.2500 0.2451 0.7142 ( 3576 PWs) bands (ev): 5.6648 5.6648 5.6652 5.6652 8.3182 8.3182 8.3189 8.3189 9.5397 9.5397 9.5398 9.5398 10.1407 10.1407 10.1411 10.1411 10.7830 10.7830 10.7840 10.7840 11.2228 11.2228 11.2252 11.2252 11.3770 11.3770 11.3785 11.3785 11.6860 11.6860 11.6877 11.6877 12.2512 12.2512 12.2514 12.2514 12.6785 12.6785 12.6799 12.6799 13.1695 13.1695 13.1706 13.1706 13.5734 13.5734 13.5743 13.5743 13.9378 13.9378 13.9387 13.9387 14.4065 14.4065 14.4069 14.4069 14.8105 14.8105 14.8120 14.8120 15.4306 15.4306 15.4324 15.4324 15.8193 15.8193 15.8198 15.8198 17.5372 17.5372 17.5382 17.5382 18.4347 18.4347 18.4353 18.4353 20.2743 20.2743 20.2747 20.2747 21.1794 21.1795 k = 0.2589 0.2538 0.7020 ( 3576 PWs) bands (ev): 5.6419 5.6419 5.6869 5.6869 8.2885 8.2885 8.3517 8.3517 9.5028 9.5028 9.5754 9.5754 10.1332 10.1332 10.1505 10.1505 10.7550 10.7550 10.8112 10.8112 11.2057 11.2057 11.2437 11.2437 11.3663 11.3663 11.3880 11.3880 11.6804 11.6804 11.6946 11.6946 12.2401 12.2401 12.2609 12.2609 12.6644 12.6644 12.6958 12.6958 13.1606 13.1606 13.1780 13.1780 13.5495 13.5495 13.5982 13.5982 13.9203 13.9203 13.9561 13.9561 14.3943 14.3943 14.4176 14.4176 14.7970 14.7970 14.8257 14.8257 15.3946 15.3946 15.4674 15.4674 15.8153 15.8153 15.8258 15.8258 17.4995 17.4995 17.5766 17.5766 18.3481 18.3481 18.5255 18.5255 20.1838 20.1838 20.3599 20.3599 21.1538 21.1538 k = 0.2679 0.2626 0.6897 ( 3573 PWs) bands (ev): 5.6197 5.6197 5.7060 5.7060 8.2601 8.2601 8.3891 8.3891 9.4657 9.4657 9.6084 9.6084 10.1264 10.1264 10.1628 10.1628 10.7252 10.7252 10.8384 10.8384 11.1886 11.1886 11.2650 11.2650 11.3536 11.3536 11.3970 11.3970 11.6753 11.6753 11.7041 11.7041 12.2265 12.2265 12.2695 12.2695 12.6517 12.6517 12.7140 12.7140 13.1519 13.1519 13.1820 13.1820 13.5260 13.5260 13.6222 13.6222 13.9027 13.9027 13.9730 13.9730 14.3819 14.3819 14.4257 14.4257 14.7845 14.7845 14.8386 14.8386 15.3593 15.3593 15.4995 15.4995 15.8123 15.8123 15.8350 15.8350 17.4605 17.4605 17.6172 17.6172 18.2658 18.2658 18.6194 18.6194 20.0844 20.0844 20.4448 20.4448 21.1498 21.1498 k = 0.2768 0.2713 0.6775 ( 3567 PWs) bands (ev): 5.5985 5.5985 5.7224 5.7224 8.2339 8.2339 8.4298 8.4298 9.4282 9.4282 9.6386 9.6386 10.1207 10.1207 10.1778 10.1778 10.6954 10.6954 10.8645 10.8645 11.1735 11.1735 11.2868 11.2868 11.3397 11.3397 11.4051 11.4051 11.6723 11.6723 11.7141 11.7141 12.2108 12.2108 12.2769 12.2769 12.6417 12.6417 12.7334 12.7334 13.1431 13.1431 13.1828 13.1828 13.5041 13.5041 13.6451 13.6451 13.8863 13.8863 13.9876 13.9876 14.3696 14.3696 14.4307 14.4307 14.7731 14.7731 14.8509 14.8509 15.3256 15.3256 15.5275 15.5275 15.8103 15.8103 15.8479 15.8479 17.4213 17.4213 17.6587 17.6587 18.1901 18.1901 18.7163 18.7163 19.9792 19.9792 20.5288 20.5288 21.1634 21.1634 k = 0.2857 0.2801 0.6652 ( 3567 PWs) bands (ev): 5.5783 5.5783 5.7366 5.7366 8.2099 8.2099 8.4731 8.4731 9.3904 9.3904 9.6660 9.6660 10.1161 10.1161 10.1950 10.1950 10.6658 10.6658 10.8891 10.8891 11.1602 11.1602 11.3077 11.3077 11.3263 11.3263 11.4125 11.4125 11.6714 11.6714 11.7242 11.7242 12.1935 12.1935 12.2830 12.2830 12.6345 12.6345 12.7536 12.7536 13.1334 13.1334 13.1810 13.1810 13.4848 13.4848 13.6656 13.6656 13.8720 13.8720 13.9994 13.9994 14.3578 14.3578 14.4323 14.4323 14.7626 14.7626 14.8627 14.8627 15.2940 15.2940 15.5508 15.5508 15.8084 15.8084 15.8648 15.8648 17.3818 17.3818 17.7004 17.7004 18.1230 18.1230 18.8158 18.8158 19.8713 19.8713 20.6110 20.6110 21.1903 21.1903 k = 0.2946 0.2888 0.6530 ( 3569 PWs) bands (ev): 5.5594 5.5594 5.7487 5.7487 8.1882 8.1882 8.5182 8.5182 9.3524 9.3524 9.6908 9.6908 10.1126 10.1126 10.2138 10.2138 10.6370 10.6370 10.9120 10.9120 11.1484 11.1484 11.3062 11.3062 11.3353 11.3353 11.4195 11.4195 11.6725 11.6725 11.7337 11.7337 12.1754 12.1754 12.2879 12.2879 12.6300 12.6300 12.7738 12.7738 13.1218 13.1218 13.1776 13.1776 13.4689 13.4689 13.6822 13.6822 13.8608 13.8608 14.0078 14.0078 14.3468 14.3468 14.4307 14.4307 14.7527 14.7527 14.8740 14.8740 15.2650 15.2650 15.5696 15.5696 15.8065 15.8065 15.8855 15.8855 17.3419 17.3419 17.7409 17.7409 18.0667 18.0667 18.9174 18.9174 19.7634 19.7634 20.6907 20.6907 21.2227 21.2227 k = 0.3036 0.2976 0.6407 ( 3574 PWs) bands (ev): 5.5418 5.5418 5.7591 5.7591 8.1689 8.1689 8.5642 8.5642 9.3141 9.3141 9.7134 9.7134 10.1104 10.1104 10.2333 10.2333 10.6092 10.6092 10.9330 10.9330 11.1381 11.1381 11.2913 11.2913 11.3581 11.3581 11.4265 11.4265 11.6752 11.6752 11.7421 11.7421 12.1575 12.1575 12.2918 12.2918 12.6281 12.6281 12.7936 12.7936 13.1079 13.1079 13.1733 13.1733 13.4566 13.4566 13.6935 13.6935 13.8536 13.8536 14.0125 14.0125 14.3367 14.3367 14.4264 14.4264 14.7432 14.7432 14.8847 14.8847 15.2389 15.2389 15.5845 15.5845 15.8043 15.8043 15.9091 15.9091 17.3017 17.3017 17.7774 17.7774 18.0245 18.0245 19.0205 19.0205 19.6580 19.6580 20.7668 20.7668 21.2433 21.2433 k = 0.3125 0.3063 0.6284 ( 3573 PWs) bands (ev): 5.5257 5.5257 5.7680 5.7680 8.1520 8.1520 8.6102 8.6102 9.2759 9.2759 9.7341 9.7341 10.1095 10.1095 10.2524 10.2524 10.5828 10.5828 10.9516 10.9516 11.1291 11.1291 11.2764 11.2764 11.3817 11.3817 11.4341 11.4341 11.6793 11.6793 11.7486 11.7486 12.1405 12.1405 12.2951 12.2951 12.6283 12.6283 12.8122 12.8122 13.0915 13.0915 13.1687 13.1687 13.4479 13.4479 13.6987 13.6987 13.8514 13.8514 14.0132 14.0132 14.3274 14.3274 14.4202 14.4202 14.7338 14.7338 14.8947 14.8947 15.2161 15.2161 15.5961 15.5961 15.8016 15.8016 15.9343 15.9343 17.2617 17.2617 17.8044 17.8044 18.0018 18.0018 19.1239 19.1239 19.5574 19.5574 20.8377 20.8377 21.2439 21.2439 k = 0.3214 0.3151 0.6162 ( 3575 PWs) bands (ev): 5.5111 5.5111 5.7757 5.7757 8.1377 8.1377 8.6552 8.6552 9.2381 9.2381 9.7536 9.7536 10.1099 10.1099 10.2701 10.2701 10.5580 10.5580 10.9674 10.9674 11.1212 11.1212 11.2627 11.2627 11.4050 11.4050 11.4430 11.4430 11.6846 11.6846 11.7527 11.7527 12.1256 12.1256 12.2981 12.2981 12.6303 12.6303 12.8291 12.8291 13.0731 13.0731 13.1644 13.1644 13.4422 13.4422 13.6980 13.6980 13.8535 13.8535 14.0099 14.0099 14.3187 14.3187 14.4128 14.4128 14.7246 14.7246 14.9039 14.9039 15.1967 15.1967 15.6054 15.6054 15.7983 15.7983 15.9598 15.9598 17.2223 17.2223 17.8163 17.8163 18.0037 18.0037 19.2251 19.2251 19.4650 19.4650 20.9004 20.9004 21.2292 21.2292 k = 0.3304 0.3239 0.6039 ( 3583 PWs) bands (ev): 5.4981 5.4981 5.7823 5.7823 8.1258 8.1258 8.6978 8.6978 9.2016 9.2016 9.7720 9.7720 10.1116 10.1116 10.2854 10.2854 10.5351 10.5351 10.9799 10.9799 11.1145 11.1145 11.2513 11.2513 11.4270 11.4270 11.4543 11.4543 11.6912 11.6912 11.7538 11.7538 12.1135 12.1135 12.3009 12.3009 12.6336 12.6336 12.8435 12.8435 13.0532 13.0532 13.1606 13.1606 13.4389 13.4389 13.6930 13.6930 13.8588 13.8588 14.0027 14.0027 14.3099 14.3099 14.4053 14.4053 14.7155 14.7155 14.9123 14.9123 15.1808 15.1808 15.6129 15.6129 15.7942 15.7942 15.9846 15.9846 17.1845 17.1845 17.8153 17.8153 18.0270 18.0270 19.3064 19.3064 19.3989 19.3989 20.9473 20.9473 21.1980 21.1980 k = 0.3393 0.3326 0.5917 ( 3577 PWs) bands (ev): 5.4867 5.4867 5.7881 5.7881 8.1166 8.1166 8.7360 8.7360 9.1678 9.1678 9.7896 9.7896 10.1147 10.1147 10.2973 10.2973 10.5140 10.5140 10.9886 10.9886 11.1087 11.1087 11.2430 11.2430 11.4460 11.4460 11.4693 11.4693 11.6989 11.6989 11.7522 11.7522 12.1047 12.1047 12.3038 12.3038 12.6378 12.6378 12.8546 12.8546 13.0328 13.0328 13.1576 13.1576 13.4371 13.4371 13.6853 13.6853 13.8654 13.8654 13.9921 13.9921 14.3002 14.3002 14.3988 14.3988 14.7069 14.7069 14.9199 14.9199 15.1681 15.1681 15.6191 15.6191 15.7893 15.7893 16.0077 16.0077 17.1492 17.1492 17.8099 17.8099 18.0614 18.0614 19.2773 19.2773 19.4501 19.4501 20.9547 20.9547 21.1617 21.1617 k = 0.3482 0.3414 0.5794 ( 3579 PWs) bands (ev): 5.4771 5.4771 5.7933 5.7933 8.1100 8.1100 8.7670 8.7670 9.1391 9.1391 9.8064 9.8064 10.1192 10.1192 10.3052 10.3052 10.4949 10.4949 10.9930 10.9930 11.1040 11.1040 11.2388 11.2388 11.4624 11.4624 11.4872 11.4872 11.7078 11.7078 11.7484 11.7484 12.0992 12.0992 12.3069 12.3069 12.6426 12.6426 12.8619 12.8619 13.0128 13.0128 13.1555 13.1555 13.4361 13.4361 13.6762 13.6762 13.8722 13.8722 13.9786 13.9786 14.2889 14.2889 14.3939 14.3939 14.6990 14.6990 14.9266 14.9266 15.1586 15.1586 15.6242 15.6242 15.7833 15.7833 16.0283 16.0283 17.1174 17.1174 17.8061 17.8061 18.0988 18.0988 19.2157 19.2157 19.5411 19.5411 20.8857 20.8857 21.1573 21.1573 k = 0.3571 0.3501 0.5672 ( 3579 PWs) bands (ev): 5.4693 5.4693 5.7980 5.7980 8.1060 8.1060 8.7868 8.7868 9.1193 9.1193 9.8223 9.8223 10.1250 10.1250 10.3088 10.3088 10.4776 10.4776 10.9932 10.9932 11.1003 11.1003 11.2389 11.2389 11.4779 11.4779 11.5055 11.5055 11.7162 11.7162 11.7456 11.7456 12.0967 12.0967 12.3102 12.3102 12.6475 12.6475 12.8644 12.8644 12.9947 12.9947 13.1542 13.1542 13.4351 13.4351 13.6668 13.6668 13.8781 13.8781 13.9629 13.9629 14.2760 14.2760 14.3908 14.3908 14.6922 14.6922 14.9326 14.9326 15.1520 15.1520 15.6283 15.6283 15.7760 15.7760 16.0459 16.0459 17.0901 17.0901 17.8065 17.8065 18.1337 18.1337 19.1644 19.1644 19.6294 19.6294 20.7607 20.7607 21.1775 21.1775 k = 0.3661 0.3589 0.5549 ( 3581 PWs) bands (ev): 5.4632 5.4632 5.8022 5.8022 8.1048 8.1048 8.7912 8.7912 9.1125 9.1125 9.8371 9.8371 10.1322 10.1322 10.3080 10.3080 10.4620 10.4620 10.9898 10.9898 11.0976 11.0976 11.2431 11.2431 11.4936 11.4936 11.5219 11.5219 11.7186 11.7186 11.7509 11.7509 12.0966 12.0966 12.3135 12.3135 12.6522 12.6522 12.8612 12.8612 12.9799 12.9799 13.1536 13.1536 13.4334 13.4334 13.6572 13.6572 13.8821 13.8821 13.9463 13.9463 14.2616 14.2616 14.3895 14.3895 14.6869 14.6869 14.9379 14.9379 15.1479 15.1479 15.6314 15.6314 15.7672 15.7672 16.0599 16.0599 17.0684 17.0684 17.8120 17.8120 18.1623 18.1623 19.1290 19.1290 19.7094 19.7094 20.6149 20.6149 21.1989 21.1989 k = 0.3750 0.3676 0.5426 ( 3580 PWs) bands (ev): 5.4590 5.4590 5.8060 5.8060 8.1061 8.1061 8.7788 8.7788 9.1201 9.1201 9.8505 9.8505 10.1406 10.1406 10.3029 10.3029 10.4481 10.4481 10.9836 10.9836 11.0959 11.0959 11.2507 11.2507 11.5086 11.5086 11.5359 11.5359 11.7144 11.7144 11.7668 11.7668 12.0983 12.0983 12.3169 12.3169 12.6563 12.6563 12.8518 12.8518 12.9700 12.9700 13.1533 13.1533 13.4306 13.4306 13.6478 13.6478 13.8829 13.8829 13.9305 13.9305 14.2464 14.2464 14.3897 14.3897 14.6832 14.6832 14.9426 14.9426 15.1461 15.1461 15.6335 15.6335 15.7568 15.7568 16.0700 16.0700 17.0531 17.0531 17.8228 17.8228 18.1813 18.1813 19.1128 19.1128 19.7766 19.7766 20.4651 20.4651 21.2125 21.2125 k = 0.3839 0.3764 0.5304 ( 3580 PWs) bands (ev): 5.4566 5.4566 5.8094 5.8094 8.1102 8.1102 8.7517 8.7517 9.1401 9.1401 9.8619 9.8619 10.1501 10.1501 10.2941 10.2941 10.4359 10.4359 10.9759 10.9759 11.0954 11.0954 11.2610 11.2610 11.5198 11.5198 11.5495 11.5495 11.7096 11.7096 11.7891 11.7891 12.1010 12.1010 12.3202 12.3202 12.6595 12.6595 12.8364 12.8364 12.9655 12.9655 13.1528 13.1528 13.4264 13.4264 13.6383 13.6383 13.8779 13.8779 13.9181 13.9181 14.2310 14.2310 14.3910 14.3910 14.6812 14.6812 14.9467 14.9467 15.1461 15.1461 15.6346 15.6346 15.7445 15.7445 16.0760 16.0760 17.0447 17.0447 17.8389 17.8389 18.1891 18.1891 19.1175 19.1175 19.8245 19.8245 20.3223 20.3223 21.2147 21.2147 k = 0.3929 0.3851 0.5181 ( 3577 PWs) bands (ev): 5.4560 5.4560 5.8124 5.8124 8.1169 8.1169 8.7143 8.7143 9.1684 9.1684 9.8710 9.8710 10.1603 10.1603 10.2821 10.2821 10.4254 10.4254 10.9675 10.9675 11.0960 11.0960 11.2730 11.2730 11.5235 11.5235 11.5657 11.5657 11.7067 11.7067 11.8160 11.8160 12.1044 12.1044 12.3233 12.3233 12.6614 12.6614 12.8167 12.8167 12.9658 12.9658 13.1520 13.1520 13.4203 13.4203 13.6287 13.6287 13.8662 13.8662 13.9106 13.9106 14.2161 14.2161 14.3933 14.3933 14.6808 14.6808 14.9504 14.9504 15.1478 15.1478 15.6345 15.6345 15.7304 15.7304 16.0776 16.0776 17.0437 17.0437 17.8600 17.8600 18.1855 18.1855 19.1431 19.1431 19.8394 19.8394 20.2024 20.2024 21.2041 21.2041 k = 0.4018 0.3939 0.5059 ( 3580 PWs) bands (ev): 5.4571 5.4571 5.8148 5.8148 8.1263 8.1263 8.6700 8.6700 9.2018 9.2018 9.8772 9.8772 10.1702 10.1702 10.2682 10.2682 10.4170 10.4170 10.9592 10.9592 11.0978 11.0978 11.2859 11.2859 11.5198 11.5198 11.5844 11.5844 11.7069 11.7069 11.8463 11.8463 12.1079 12.1079 12.3258 12.3258 12.6615 12.6615 12.7945 12.7945 12.9699 12.9699 13.1506 13.1506 13.4122 13.4122 13.6186 13.6186 13.8503 13.8503 13.9058 13.9058 14.2022 14.2022 14.3967 14.3967 14.6817 14.6817 14.9536 14.9536 15.1510 15.1510 15.6331 15.6331 15.7144 15.7144 16.0748 16.0748 17.0503 17.0503 17.8858 17.8858 18.1727 18.1727 19.1878 19.1878 19.7988 19.7988 20.1289 20.1289 21.1806 21.1806 k = 0.4107 0.4026 0.4936 ( 3584 PWs) bands (ev): 5.4601 5.4601 5.8167 5.8167 8.1383 8.1383 8.6215 8.6215 9.2381 9.2381 9.8802 9.8802 10.1776 10.1776 10.2555 10.2555 10.4107 10.4107 10.9513 10.9513 11.1007 11.1007 11.2991 11.2991 11.5111 11.5111 11.6037 11.6037 11.7101 11.7101 11.8794 11.8794 12.1113 12.1113 12.3277 12.3277 12.6592 12.6592 12.7722 12.7722 12.9766 12.9766 13.1489 13.1489 13.4020 13.4020 13.6080 13.6080 13.8330 13.8330 13.9011 13.9011 14.1897 14.1897 14.4013 14.4013 14.6835 14.6835 14.9563 14.9563 15.1554 15.1554 15.6303 15.6303 15.6969 15.6969 16.0677 16.0677 17.0642 17.0642 17.9151 17.9151 18.1541 18.1541 19.2485 19.2485 19.7030 19.7030 20.1034 20.1034 21.1448 21.1448 k = 0.4196 0.4114 0.4814 ( 3584 PWs) bands (ev): 5.4648 5.4648 5.8177 5.8177 8.1530 8.1530 8.5703 8.5703 9.2762 9.2762 9.8796 9.8796 10.1773 10.1773 10.2497 10.2497 10.4066 10.4066 10.9443 10.9443 11.1049 11.1049 11.3120 11.3120 11.4994 11.4994 11.6223 11.6223 11.7163 11.7163 11.9141 11.9141 12.1146 12.1146 12.3286 12.3286 12.6529 12.6529 12.7522 12.7522 12.9851 12.9851 13.1471 13.1471 13.3897 13.3897 13.5968 13.5968 13.8156 13.8156 13.8954 13.8954 14.1788 14.1788 14.4071 14.4071 14.6859 14.6859 14.9584 14.9584 15.1610 15.1610 15.6255 15.6255 15.6785 15.6785 16.0563 16.0563 17.0851 17.0851 17.9455 17.9455 18.1348 18.1348 19.3210 19.3210 19.5825 19.5825 20.0978 20.0978 21.0979 21.0979 k = 0.4286 0.4201 0.4691 ( 3584 PWs) bands (ev): 5.4711 5.4711 5.8178 5.8178 8.1702 8.1702 8.5177 8.5177 9.3153 9.3153 9.8749 9.8749 10.1660 10.1660 10.2551 10.2551 10.4047 10.4047 10.9380 10.9380 11.1104 11.1104 11.3242 11.3242 11.4861 11.4861 11.6390 11.6390 11.7253 11.7253 11.9495 11.9495 12.1179 12.1179 12.3283 12.3283 12.6412 12.6412 12.7374 12.7374 12.9944 12.9944 13.1456 13.1456 13.3757 13.3757 13.5849 13.5849 13.7985 13.7985 13.8888 13.8888 14.1695 14.1695 14.4143 14.4143 14.6884 14.6884 14.9598 14.9598 15.1677 15.1677 15.6178 15.6178 15.6604 15.6604 16.0407 16.0407 17.1123 17.1123 17.9702 17.9702 18.1242 18.1242 19.3847 19.3847 19.4747 19.4747 20.0943 20.0943 21.0417 21.0417 k = 0.4375 0.4289 0.4568 ( 3587 PWs) bands (ev): 5.4791 5.4791 5.8166 5.8166 8.1899 8.1899 8.4645 8.4645 9.3550 9.3550 9.8660 9.8660 10.1476 10.1476 10.2690 10.2690 10.4048 10.4048 10.9323 10.9323 11.1172 11.1172 11.3350 11.3350 11.4726 11.4726 11.6530 11.6530 11.7370 11.7370 11.9839 11.9839 12.1219 12.1219 12.3265 12.3265 12.6234 12.6234 12.7290 12.7290 13.0036 13.0036 13.1448 13.1448 13.3606 13.3606 13.5724 13.5724 13.7816 13.7816 13.8816 13.8816 14.1619 14.1619 14.4226 14.4226 14.6906 14.6906 14.9604 14.9604 15.1754 15.1754 15.6054 15.6054 15.6448 15.6448 16.0212 16.0212 17.1449 17.1449 17.9773 17.9773 18.1362 18.1362 19.3055 19.3055 19.5190 19.5190 20.0866 20.0866 20.9779 20.9779 k = 0.4464 0.4376 0.4446 ( 3591 PWs) bands (ev): 5.4886 5.4886 5.8139 5.8139 8.2120 8.2120 8.4116 8.4116 9.3950 9.3950 9.8525 9.8525 10.1272 10.1272 10.2876 10.2876 10.4067 10.4067 10.9271 10.9271 11.1254 11.1254 11.3441 11.3441 11.4599 11.4599 11.6639 11.6639 11.7509 11.7509 12.0151 12.0151 12.1278 12.1278 12.3229 12.3229 12.6015 12.6015 12.7261 12.7261 13.0118 13.0118 13.1449 13.1449 13.3454 13.3454 13.5595 13.5595 13.7648 13.7648 13.8743 13.8743 14.1555 14.1555 14.4319 14.4319 14.6922 14.6922 14.9600 14.9600 15.1840 15.1840 15.5879 15.5879 15.6329 15.6329 15.9982 15.9982 17.1818 17.1818 17.9641 17.9641 18.1751 18.1751 19.1833 19.1833 19.6167 19.6167 20.0733 20.0733 20.9084 20.9084 k = 0.4554 0.4464 0.4323 ( 3589 PWs) bands (ev): 5.4996 5.4996 5.8094 5.8094 8.2366 8.2366 8.3598 8.3598 9.4349 9.4349 9.8346 9.8346 10.1074 10.1074 10.3091 10.3091 10.4103 10.4103 10.9222 10.9222 11.1351 11.1351 11.3508 11.3508 11.4488 11.4488 11.6721 11.6721 11.7659 11.7659 12.0395 12.0395 12.1382 12.1382 12.3172 12.3172 12.5785 12.5785 12.7266 12.7266 13.0185 13.0185 13.1456 13.1456 13.3310 13.3310 13.5467 13.5467 13.7479 13.7479 13.8676 13.8676 14.1503 14.1503 14.4418 14.4418 14.6929 14.6929 14.9586 14.9586 15.1932 15.1932 15.5667 15.5667 15.6236 15.6236 15.9722 15.9722 17.2218 17.2218 17.9401 17.9401 18.2325 18.2325 19.0631 19.0631 19.7222 19.7222 20.0545 20.0545 20.8350 20.8350 k = 0.4643 0.4551 0.4201 ( 3591 PWs) bands (ev): 5.5120 5.5120 5.8028 5.8028 8.2633 8.2633 8.3099 8.3099 9.4743 9.4743 9.8126 9.8126 10.0899 10.0899 10.3326 10.3326 10.4152 10.4152 10.9173 10.9173 11.1464 11.1464 11.3547 11.3547 11.4403 11.4403 11.6780 11.6780 11.7809 11.7809 12.0538 12.0538 12.1554 12.1554 12.3092 12.3092 12.5571 12.5571 12.7287 12.7287 13.0235 13.0235 13.1462 13.1462 13.3188 13.3188 13.5343 13.5343 13.7308 13.7308 13.8623 13.8623 14.1457 14.1457 14.4520 14.4520 14.6924 14.6924 14.9561 14.9561 15.2028 15.2028 15.5438 15.5438 15.6155 15.6155 15.9439 15.9439 17.2635 17.2635 17.9126 17.9126 18.3021 18.3021 18.9485 18.9485 19.8290 19.8290 20.0328 20.0328 20.7595 20.7595 k = 0.4732 0.4639 0.4078 ( 3593 PWs) bands (ev): 5.5256 5.5256 5.7936 5.7936 8.2617 8.2617 8.2931 8.2931 9.5125 9.5125 9.7874 9.7874 10.0754 10.0754 10.3580 10.3580 10.4213 10.4213 10.9122 10.9122 11.1592 11.1592 11.3556 11.3556 11.4347 11.4347 11.6819 11.6819 11.7950 11.7950 12.0582 12.0582 12.1778 12.1778 12.2984 12.2984 12.5396 12.5396 12.7312 12.7312 13.0270 13.0270 13.1457 13.1457 13.3102 13.3102 13.5227 13.5227 13.7135 13.7135 13.8590 13.8590 14.1417 14.1417 14.4620 14.4620 14.6906 14.6906 14.9527 14.9527 15.2120 15.2120 15.5202 15.5202 15.6081 15.6081 15.9142 15.9142 17.3055 17.3055 17.8849 17.8849 18.3806 18.3806 18.8409 18.8409 19.9185 19.9185 20.0245 20.0245 20.6840 20.6840 k = 0.4821 0.4726 0.3956 ( 3590 PWs) bands (ev): 5.5404 5.5404 5.7815 5.7815 8.2175 8.2175 8.3241 8.3241 9.5481 9.5481 9.7610 9.7610 10.0645 10.0645 10.3848 10.3848 10.4282 10.4282 10.9067 10.9067 11.1736 11.1736 11.3540 11.3540 11.4320 11.4320 11.6843 11.6843 11.8072 11.8072 12.0554 12.0554 12.2013 12.2013 12.2844 12.2844 12.5282 12.5282 12.7332 12.7332 13.0290 13.0290 13.1428 13.1428 13.3062 13.3062 13.5125 13.5125 13.6964 13.6964 13.8581 13.8581 14.1380 14.1380 14.4711 14.4711 14.6873 14.6873 14.9485 14.9485 15.2202 15.2202 15.4962 15.4962 15.6015 15.6015 15.8844 15.8844 17.3461 17.3461 17.8588 17.8588 18.4636 18.4636 18.7442 18.7442 19.9285 19.9285 20.0886 20.0886 20.6120 20.6120 k = 0.4911 0.4814 0.3833 ( 3594 PWs) bands (ev): 5.5562 5.5562 5.7661 5.7661 8.1769 8.1769 8.3575 8.3575 9.5778 9.5778 9.7372 9.7372 10.0572 10.0572 10.4130 10.4130 10.4357 10.4357 10.9007 10.9007 11.1895 11.1895 11.3510 11.3510 11.4314 11.4314 11.6854 11.6854 11.8168 11.8168 12.0477 12.0477 12.2222 12.2222 12.2675 12.2675 12.5240 12.5240 12.7341 12.7341 13.0298 13.0298 13.1368 13.1368 13.3078 13.3078 13.5037 13.5037 13.6797 13.6797 13.8602 13.8602 14.1344 14.1344 14.4789 14.4789 14.6826 14.6826 14.9439 14.9439 15.2265 15.2265 15.4717 15.4717 15.5963 15.5963 15.8557 15.8557 17.3837 17.3837 17.8355 17.8355 18.5282 18.5282 18.6807 18.6807 19.8938 19.8938 20.1818 20.1818 20.5519 20.5519 k = 0.5000 0.4902 0.3711 ( 3592 PWs) bands (ev): 5.5728 5.5728 5.7472 5.7472 8.1407 8.1407 8.3928 8.3928 9.5942 9.5942 9.7240 9.7240 10.0535 10.0535 10.4424 10.4424 10.4435 10.4435 10.8940 10.8940 11.2068 11.2068 11.3480 11.3480 11.4322 11.4322 11.6854 11.6854 11.8232 11.8232 12.0364 12.0364 12.2337 12.2337 12.2533 12.2533 12.5272 12.5272 12.7336 12.7336 13.0297 13.0297 13.1273 13.1273 13.3147 13.3147 13.4968 13.4968 13.6641 13.6641 13.8656 13.8656 14.1309 14.1309 14.4847 14.4847 14.6765 14.6765 14.9388 14.9388 15.2302 15.2302 15.4460 15.4460 15.5935 15.5935 15.8296 15.8296 17.4165 17.4165 17.8164 17.8164 18.5002 18.5002 18.7241 18.7241 19.8484 19.8484 20.2455 20.2455 20.5275 20.5275 k = 0.5000 0.4902 0.3711 ( 3592 PWs) bands (ev): 5.5728 5.5728 5.7472 5.7472 8.1407 8.1407 8.3928 8.3928 9.5942 9.5942 9.7240 9.7240 10.0535 10.0535 10.4424 10.4424 10.4435 10.4435 10.8940 10.8940 11.2068 11.2068 11.3480 11.3480 11.4322 11.4322 11.6854 11.6854 11.8232 11.8232 12.0364 12.0364 12.2337 12.2337 12.2533 12.2533 12.5272 12.5272 12.7336 12.7336 13.0297 13.0297 13.1273 13.1273 13.3147 13.3147 13.4968 13.4968 13.6641 13.6641 13.8656 13.8656 14.1309 14.1309 14.4847 14.4847 14.6765 14.6765 14.9388 14.9388 15.2302 15.2302 15.4460 15.4460 15.5935 15.5935 15.8296 15.8296 17.4165 17.4165 17.8164 17.8164 18.5002 18.5002 18.7241 18.7241 19.8484 19.8484 20.2455 20.2455 20.5275 20.5275 k = 0.5000 0.4902 0.3534 ( 3592 PWs) bands (ev): 5.5975 5.5975 5.7176 5.7176 8.0922 8.0922 8.4459 8.4459 9.5958 9.5958 9.7223 9.7223 10.0543 10.0543 10.4554 10.4554 10.4857 10.4857 10.8839 10.8839 11.2326 11.2326 11.3443 11.3443 11.4357 11.4357 11.6836 11.6836 11.8292 11.8292 12.0164 12.0164 12.2244 12.2244 12.2542 12.2542 12.5361 12.5361 12.7320 12.7320 13.0270 13.0270 13.1109 13.1109 13.3281 13.3281 13.4905 13.4905 13.6432 13.6432 13.8762 13.8762 14.1262 14.1262 14.4887 14.4887 14.6655 14.6655 14.9320 14.9320 15.2291 15.2291 15.4065 15.4065 15.5947 15.5947 15.7970 15.7970 17.4598 17.4598 17.7933 17.7933 18.3869 18.3869 18.8764 18.8764 19.7789 19.7789 20.2923 20.2923 20.5392 20.5392 k = 0.5000 0.4902 0.3357 ( 3596 PWs) bands (ev): 5.6225 5.6225 5.6885 5.6885 8.0446 8.0446 8.5002 8.5002 9.5849 9.5849 9.7262 9.7262 10.0626 10.0626 10.4674 10.4674 10.5302 10.5302 10.8743 10.8743 11.2586 11.2586 11.3413 11.3413 11.4426 11.4426 11.6796 11.6796 11.8337 11.8337 11.9936 11.9936 12.2103 12.2103 12.2606 12.2606 12.5439 12.5439 12.7305 12.7305 13.0204 13.0204 13.0933 13.0933 13.3394 13.3394 13.4907 13.4907 13.6242 13.6242 13.8879 13.8879 14.1219 14.1219 14.4869 14.4869 14.6520 14.6520 14.9263 14.9263 15.2202 15.2202 15.3648 15.3648 15.5989 15.5989 15.7725 15.7725 17.5025 17.5025 17.7736 17.7736 18.2688 18.2688 19.0477 19.0477 19.7111 19.7111 20.3369 20.3369 20.5539 20.5539 k = 0.5000 0.4902 0.3180 ( 3592 PWs) bands (ev): 5.6474 5.6474 5.6606 5.6606 7.9981 7.9981 8.5555 8.5555 9.5667 9.5667 9.7299 9.7299 10.0790 10.0790 10.4795 10.4795 10.5754 10.5754 10.8655 10.8655 11.2845 11.2845 11.3389 11.3389 11.4526 11.4526 11.6734 11.6734 11.8368 11.8368 11.9683 11.9683 12.1964 12.1964 12.2677 12.2677 12.5508 12.5508 12.7291 12.7291 13.0098 13.0098 13.0747 13.0747 13.3463 13.3463 13.4993 13.4993 13.6075 13.6075 13.9004 13.9004 14.1180 14.1180 14.4789 14.4789 14.6365 14.6365 14.9209 14.9209 15.2048 15.2048 15.3221 15.3221 15.5972 15.5972 15.7630 15.7630 17.5396 17.5396 17.7627 17.7627 18.1561 18.1561 19.2270 19.2270 19.6456 19.6456 20.3781 20.3781 20.5716 20.5716 k = 0.5000 0.4902 0.3004 ( 3594 PWs) bands (ev): 5.6325 5.6325 5.6733 5.6733 7.9530 7.9530 8.6114 8.6114 9.5450 9.5450 9.7304 9.7304 10.1030 10.1030 10.4915 10.4915 10.6211 10.6211 10.8577 10.8577 11.3098 11.3098 11.3376 11.3376 11.4654 11.4654 11.6653 11.6653 11.8383 11.8383 11.9412 11.9412 12.1833 12.1833 12.2748 12.2748 12.5570 12.5570 12.7277 12.7277 12.9954 12.9954 13.0550 13.0550 13.3485 13.3485 13.5163 13.5163 13.5935 13.5935 13.9134 13.9134 14.1144 14.1144 14.4648 14.4648 14.6195 14.6195 14.9150 14.9150 15.1835 15.1835 15.2814 15.2814 15.5829 15.5829 15.7734 15.7734 17.5624 17.5624 17.7694 17.7694 18.0506 18.0506 19.4096 19.4096 19.5851 19.5851 20.4148 20.4148 20.5920 20.5920 k = 0.5000 0.4902 0.2827 ( 3594 PWs) bands (ev): 5.6062 5.6062 5.6983 5.6983 7.9094 7.9094 8.6678 8.6678 9.5218 9.5218 9.7271 9.7271 10.1332 10.1332 10.5035 10.5035 10.6666 10.6666 10.8516 10.8516 11.3301 11.3301 11.3412 11.3412 11.4805 11.4805 11.6557 11.6557 11.8378 11.8378 11.9131 11.9131 12.1710 12.1710 12.2817 12.2817 12.5625 12.5625 12.7259 12.7259 12.9775 12.9775 13.0343 13.0343 13.3472 13.3472 13.5399 13.5399 13.5827 13.5827 13.9268 13.9268 14.1111 14.1111 14.4451 14.4451 14.6013 14.6013 14.9069 14.9069 15.1542 15.1542 15.2477 15.2477 15.5577 15.5577 15.8000 15.8000 17.5646 17.5646 17.7996 17.7996 17.9534 17.9534 19.5063 19.5063 19.6177 19.6177 20.4457 20.4457 20.6150 20.6150 k = 0.5000 0.4902 0.2650 ( 3596 PWs) bands (ev): 5.5808 5.5808 5.7232 5.7232 7.8677 7.8677 8.7241 8.7241 9.4980 9.4980 9.7206 9.7206 10.1678 10.1678 10.5151 10.5151 10.7108 10.7108 10.8480 10.8480 11.3336 11.3336 11.3613 11.3613 11.4976 11.4976 11.6452 11.6452 11.8345 11.8345 11.8859 11.8859 12.1591 12.1591 12.2884 12.2884 12.5674 12.5674 12.7239 12.7239 12.9564 12.9564 13.0127 13.0127 13.3444 13.3444 13.5675 13.5675 13.5754 13.5754 13.9403 13.9403 14.1082 14.1082 14.4207 14.4207 14.5819 14.5819 14.8952 14.8952 15.1151 15.1151 15.2256 15.2256 15.5271 15.5271 15.8363 15.8363 17.5504 17.5504 17.8378 17.8378 17.8759 17.8759 19.4546 19.4546 19.8047 19.8047 20.4696 20.4696 20.6402 20.6402 k = 0.5000 0.4902 0.2474 ( 3592 PWs) bands (ev): 5.5567 5.5567 5.7475 5.7475 7.8279 7.8279 8.7800 8.7800 9.4743 9.4743 9.7120 9.7120 10.2053 10.2053 10.5264 10.5264 10.7514 10.7514 10.8493 10.8493 11.3341 11.3341 11.3830 11.3830 11.5161 11.5161 11.6348 11.6348 11.8255 11.8255 11.8632 11.8632 12.1474 12.1474 12.2949 12.2949 12.5715 12.5715 12.7214 12.7214 12.9328 12.9328 12.9902 12.9902 13.3412 13.3412 13.5712 13.5712 13.5980 13.5980 13.9534 13.9534 14.1057 14.1057 14.3928 14.3928 14.5612 14.5612 14.8789 14.8789 15.0685 15.0685 15.2145 15.2145 15.4949 15.4949 15.8778 15.8778 17.5272 17.5272 17.7755 17.7755 17.9196 17.9196 19.3995 19.3995 19.9984 19.9984 20.4859 20.4859 20.6679 20.6679 k = 0.5000 0.4902 0.2297 ( 3582 PWs) bands (ev): 5.5339 5.5339 5.7713 5.7713 7.7902 7.7902 8.8352 8.8352 9.4511 9.4511 9.7022 9.7022 10.2444 10.2444 10.5371 10.5371 10.7827 10.7827 10.8609 10.8609 11.3346 11.3346 11.4024 11.4024 11.5352 11.5352 11.6258 11.6258 11.8069 11.8069 11.8500 11.8500 12.1354 12.1354 12.3013 12.3013 12.5749 12.5749 12.7185 12.7185 12.9074 12.9074 12.9670 12.9670 13.3383 13.3383 13.5710 13.5710 13.6292 13.6292 13.9656 13.9656 14.1038 14.1038 14.3625 14.3625 14.5390 14.5390 14.8577 14.8577 15.0185 15.0185 15.2110 15.2110 15.4635 15.4635 15.9221 15.9221 17.4993 17.4993 17.7020 17.7020 17.9904 17.9904 19.3468 19.3468 20.1868 20.1868 20.4962 20.4962 20.6999 20.6999 k = 0.5000 0.4902 0.2120 ( 3586 PWs) bands (ev): 5.5124 5.5124 5.7942 5.7942 7.7548 7.7548 8.8890 8.8890 9.4287 9.4287 9.6919 9.6919 10.2839 10.2839 10.5472 10.5472 10.7997 10.7997 10.8878 10.8878 11.3351 11.3351 11.4178 11.4178 11.5537 11.5537 11.6206 11.6206 11.7827 11.7827 11.8430 11.8430 12.1230 12.1230 12.3074 12.3074 12.5773 12.5773 12.7151 12.7151 12.8807 12.8807 12.9432 12.9432 13.3360 13.3360 13.5745 13.5745 13.6607 13.6607 13.9763 13.9763 14.1029 14.1029 14.3310 14.3310 14.5156 14.5156 14.8317 14.8317 14.9679 14.9679 15.2117 15.2117 15.4350 15.4350 15.9676 15.9676 17.4687 17.4687 17.6355 17.6355 18.0679 18.0679 19.2971 19.2971 20.3421 20.3421 20.5171 20.5171 20.7438 20.7438 k = 0.5000 0.4902 0.1944 ( 3586 PWs) bands (ev): 5.4924 5.4924 5.8162 5.8162 7.7218 7.7218 8.9410 8.9410 9.4075 9.4075 9.6816 9.6816 10.3229 10.3229 10.5566 10.5566 10.8075 10.8075 10.9247 10.9247 11.3354 11.3354 11.4274 11.4274 11.5699 11.5699 11.6220 11.6220 11.7584 11.7584 11.8381 11.8381 12.1099 12.1099 12.3133 12.3133 12.5788 12.5788 12.7111 12.7111 12.8537 12.8537 12.9192 12.9192 13.3341 13.3341 13.5817 13.5817 13.6918 13.6918 13.9846 13.9846 14.1031 14.1031 14.2994 14.2994 14.4912 14.4912 14.8013 14.8013 14.9189 14.9189 15.2132 15.2132 15.4116 15.4116 16.0132 16.0132 17.4364 17.4364 17.5766 17.5766 18.1500 18.1500 19.2507 19.2507 20.3917 20.3917 20.5948 20.5948 20.8235 20.8235 k = 0.5000 0.4902 0.1767 ( 3586 PWs) bands (ev): 5.4740 5.4740 5.8370 5.8370 7.6913 7.6913 8.9906 8.9906 9.3875 9.3875 9.6718 9.6718 10.3607 10.3607 10.5650 10.5650 10.8126 10.8126 10.9646 10.9646 11.3352 11.3352 11.4300 11.4300 11.5831 11.5831 11.6311 11.6311 11.7370 11.7370 11.8339 11.8339 12.0959 12.0959 12.3189 12.3189 12.5793 12.5793 12.7064 12.7064 12.8271 12.8271 12.8952 12.8952 13.3327 13.3327 13.5924 13.5924 13.7222 13.7222 13.9896 13.9896 14.1047 14.1047 14.2688 14.2688 14.4663 14.4663 14.7671 14.7671 14.8729 14.8729 15.2121 15.2121 15.3957 15.3957 16.0580 16.0580 17.4029 17.4029 17.5254 17.5254 18.2358 18.2358 19.2078 19.2078 20.3662 20.3662 20.6683 20.6683 20.9674 20.9674 k = 0.5000 0.4902 0.1590 ( 3580 PWs) bands (ev): 5.4571 5.4571 5.8564 5.8564 7.6635 7.6635 9.0371 9.0371 9.3692 9.3692 9.6628 9.6628 10.3965 10.3965 10.5726 10.5726 10.8179 10.8179 11.0042 11.0042 11.3343 11.3343 11.4256 11.4256 11.5954 11.5954 11.6440 11.6440 11.7211 11.7211 11.8303 11.8303 12.0811 12.0811 12.3241 12.3241 12.5789 12.5789 12.7006 12.7006 12.8022 12.8022 12.8714 12.8714 13.3315 13.3315 13.6064 13.6064 13.7514 13.7514 13.9904 13.9904 14.1073 14.1073 14.2401 14.2401 14.4417 14.4417 14.7300 14.7300 14.8308 14.8308 15.2060 15.2060 15.3889 15.3889 16.1015 16.1015 17.3687 17.3687 17.4815 17.4815 18.3246 18.3246 19.1687 19.1687 20.3144 20.3144 20.7114 20.7114 21.1494 21.1494 k = 0.5000 0.4902 0.1414 ( 3588 PWs) bands (ev): 5.4418 5.4418 5.8743 5.8743 7.6383 7.6383 9.0799 9.0799 9.3529 9.3529 9.6548 9.6548 10.4297 10.4297 10.5793 10.5793 10.8244 10.8244 11.0422 11.0422 11.3323 11.3323 11.4155 11.4155 11.6083 11.6083 11.6532 11.6532 11.7151 11.7151 11.8274 11.8274 12.0655 12.0655 12.3288 12.3288 12.5774 12.5774 12.6932 12.6932 12.7802 12.7802 12.8482 12.8482 13.3306 13.3306 13.6235 13.6235 13.7791 13.7791 13.9869 13.9869 14.1099 14.1099 14.2148 14.2148 14.4186 14.4186 14.6915 14.6915 14.7927 14.7927 15.1946 15.1946 15.3907 15.3907 16.1428 16.1428 17.3347 17.3347 17.4443 17.4443 18.4157 18.4157 19.1333 19.1333 20.2475 20.2475 20.7417 20.7417 21.3209 21.3209 k = 0.5000 0.4902 0.1237 ( 3588 PWs) bands (ev): 5.4282 5.4282 5.8906 5.8906 7.6159 7.6159 9.1182 9.1182 9.3388 9.3388 9.6479 9.6479 10.4597 10.4597 10.5852 10.5852 10.8322 10.8322 11.0777 11.0777 11.3293 11.3293 11.4017 11.4017 11.6220 11.6220 11.6542 11.6542 11.7215 11.7215 11.8260 11.8260 12.0490 12.0490 12.3329 12.3329 12.5751 12.5751 12.6836 12.6836 12.7625 12.7625 12.8257 12.8257 13.3298 13.3298 13.6433 13.6433 13.8050 13.8050 13.9793 13.9793 14.1102 14.1102 14.1948 14.1948 14.3980 14.3980 14.6530 14.6530 14.7583 14.7583 15.1796 15.1796 15.3988 15.3988 16.1814 16.1814 17.3019 17.3019 17.4129 17.4129 18.5081 18.5081 19.1019 19.1019 20.1704 20.1704 20.7662 20.7662 21.4125 21.4125 k = 0.5000 0.4902 0.1060 ( 3590 PWs) bands (ev): 5.4164 5.4164 5.9050 5.9050 7.5964 7.5964 9.1512 9.1512 9.3273 9.3273 9.6424 9.6424 10.4860 10.4860 10.5903 10.5903 10.8412 10.8412 11.1099 11.1099 11.3254 11.3254 11.3858 11.3858 11.6350 11.6350 11.6513 11.6513 11.7346 11.7346 11.8269 11.8269 12.0320 12.0320 12.3365 12.3365 12.5717 12.5717 12.6724 12.6724 12.7499 12.7499 12.8042 12.8042 13.3291 13.3291 13.6653 13.6653 13.8286 13.8286 13.9679 13.9679 14.1052 14.1052 14.1822 14.1822 14.3814 14.3814 14.6160 14.6160 14.7273 14.7273 15.1633 15.1633 15.4104 15.4104 16.2167 16.2167 17.2716 17.2716 17.3864 17.3864 18.6010 18.6010 19.0745 19.0745 20.0870 20.0870 20.7872 20.7872 21.4456 21.4456 k = 0.5000 0.4902 0.0883 ( 3588 PWs) bands (ev): 5.4063 5.4063 5.9175 5.9175 7.5798 7.5798 9.1781 9.1781 9.3191 9.3191 9.6381 9.6381 10.5082 10.5082 10.5948 10.5948 10.8509 10.8509 11.1384 11.1384 11.3207 11.3207 11.3694 11.3694 11.6434 11.6434 11.6523 11.6523 11.7472 11.7472 11.8319 11.8319 12.0144 12.0144 12.3395 12.3395 12.5671 12.5671 12.6611 12.6611 12.7415 12.7415 12.7841 12.7841 13.3284 13.3284 13.6892 13.6892 13.8495 13.8495 13.9535 13.9535 14.0944 14.0944 14.1771 14.1771 14.3696 14.3696 14.5815 14.5815 14.6998 14.6998 15.1475 15.1475 15.4231 15.4231 16.2480 16.2480 17.2445 17.2445 17.3643 17.3643 18.6927 18.6927 19.0512 19.0512 20.0005 20.0005 20.8051 20.8051 21.4650 21.4650 k = 0.5000 0.4902 0.0707 ( 3582 PWs) bands (ev): 5.3980 5.3980 5.9279 5.9279 7.5662 7.5662 9.1983 9.1983 9.3144 9.3144 9.6350 9.6350 10.5260 10.5260 10.5988 10.5988 10.8607 10.8607 11.1628 11.1628 11.3158 11.3158 11.3535 11.3535 11.6439 11.6439 11.6614 11.6614 11.7560 11.7560 11.8418 11.8418 11.9965 11.9965 12.3420 12.3420 12.5614 12.5614 12.6517 12.6517 12.7362 12.7362 12.7659 12.7659 13.3279 13.3279 13.7143 13.7143 13.8672 13.8672 13.9367 13.9367 14.0803 14.0803 14.1768 14.1768 14.3628 14.3628 14.5507 14.5507 14.6758 14.6758 15.1334 15.1334 15.4353 15.4353 16.2748 16.2748 17.2215 17.2215 17.3462 17.3462 18.7811 18.7811 19.0321 19.0321 19.9148 19.9148 20.8202 20.8202 21.4798 21.4798 k = 0.5000 0.4902 0.0530 ( 3582 PWs) bands (ev): 5.3915 5.3915 5.9361 5.9361 7.5555 7.5555 9.2117 9.2117 9.3131 9.3131 9.6329 9.6329 10.5393 10.5393 10.6023 10.6023 10.8697 10.8697 11.1828 11.1828 11.3109 11.3109 11.3394 11.3394 11.6443 11.6443 11.6701 11.6701 11.7604 11.7604 11.8562 11.8562 11.9786 11.9786 12.3439 12.3439 12.5550 12.5550 12.6456 12.6456 12.7327 12.7327 12.7503 12.7503 13.3275 13.3275 13.7399 13.7399 13.8808 13.8808 13.9185 13.9185 14.0664 14.0664 14.1783 14.1783 14.3605 14.3605 14.5243 14.5243 14.6561 14.6561 15.1218 15.1218 15.4459 15.4459 16.2964 16.2964 17.2029 17.2029 17.3321 17.3321 18.8627 18.8627 19.0173 19.0173 19.8342 19.8342 20.8323 20.8323 21.4914 21.4914 k = 0.5000 0.4902 0.0353 ( 3580 PWs) bands (ev): 5.3869 5.3869 5.9420 5.9420 7.5479 7.5479 9.2193 9.2193 9.3141 9.3141 9.6317 9.6317 10.5484 10.5484 10.6052 10.6052 10.8771 10.8771 11.1979 11.1979 11.3065 11.3065 11.3283 11.3283 11.6454 11.6454 11.6766 11.6766 11.7620 11.7620 11.8728 11.8728 11.9610 11.9610 12.3452 12.3452 12.5490 12.5490 12.6426 12.6426 12.7297 12.7297 12.7388 12.7388 13.3272 13.3272 13.7647 13.7647 13.8872 13.8872 13.9026 13.9026 14.0552 14.0552 14.1802 14.1802 14.3613 14.3613 14.5036 14.5036 14.6413 14.6413 15.1132 15.1132 15.4540 15.4540 16.3123 16.3123 17.1893 17.1893 17.3220 17.3220 18.9314 18.9314 19.0073 19.0073 19.7651 19.7651 20.8410 20.8410 21.5000 21.5000 k = 0.5000 0.4902 0.0177 ( 3584 PWs) bands (ev): 5.3841 5.3841 5.9455 5.9455 7.5433 7.5433 9.2229 9.2229 9.3157 9.3157 9.6310 9.6310 10.5536 10.5536 10.6071 10.6071 10.8819 10.8819 11.2076 11.2076 11.3030 11.3030 11.3214 11.3214 11.6466 11.6466 11.6806 11.6806 11.7623 11.7623 11.8885 11.8885 11.9452 11.9452 12.3461 12.3461 12.5447 12.5447 12.6416 12.6416 12.7257 12.7257 12.7334 12.7334 13.3270 13.3270 13.7857 13.7857 13.8769 13.8769 13.9012 13.9012 14.0480 14.0480 14.1815 14.1815 14.3632 14.3632 14.4901 14.4901 14.6320 14.6320 15.1079 15.1079 15.4591 15.4591 16.3220 16.3220 17.1810 17.1810 17.3158 17.3158 18.9769 18.9769 19.0038 19.0038 19.7167 19.7167 20.8464 20.8464 21.5052 21.5052 k = 0.5000 0.4902 0.0000 ( 3596 PWs) bands (ev): 5.3832 5.3832 5.9467 5.9467 7.5418 7.5418 9.2240 9.2240 9.3163 9.3163 9.6308 9.6308 10.5552 10.5552 10.6078 10.6078 10.8836 10.8836 11.2109 11.2109 11.3016 11.3016 11.3190 11.3190 11.6471 11.6471 11.6819 11.6819 11.7623 11.7623 11.8966 11.8966 11.9372 11.9372 12.3464 12.3464 12.5432 12.5432 12.6415 12.6415 12.7236 12.7236 12.7324 12.7324 13.3269 13.3269 13.7952 13.7952 13.8693 13.8693 13.9025 13.9025 14.0456 14.0456 14.1820 14.1820 14.3641 14.3641 14.4853 14.4853 14.6288 14.6288 15.1061 15.1061 15.4608 15.4608 16.3253 16.3253 17.1782 17.1782 17.3138 17.3138 18.9883 18.9883 19.0080 19.0080 19.6989 19.6989 20.8482 20.8482 21.5069 21.5069 k = 0.0000 0.0000 0.7142 ( 3570 PWs) bands (ev): 5.2980 5.2980 6.1675 6.1675 7.8321 7.8321 8.7835 8.7835 9.1061 9.1061 9.9604 9.9604 10.0200 10.0200 10.3123 10.3123 10.3463 10.3463 10.9146 10.9146 11.0226 11.0226 11.4872 11.4872 11.4880 11.4880 11.6497 11.6497 11.8116 11.8116 11.9559 11.9559 12.2192 12.2192 12.3148 12.3148 12.3213 12.3213 12.8175 12.8175 12.9584 12.9584 13.1299 13.1299 13.3436 13.3436 13.6167 13.6167 13.7987 13.7987 14.0467 14.0467 14.0968 14.0968 14.3362 14.3362 14.5632 14.5632 14.7890 14.7890 15.1443 15.1443 15.8354 15.8354 15.8740 15.8740 16.4410 16.4410 16.9087 16.9087 17.1527 17.1527 18.1285 18.1285 19.5946 19.5946 20.5944 20.5944 20.6842 20.6842 21.5666 21.5666 k = 0.0125 0.0123 0.7142 ( 3570 PWs) bands (ev): 5.2990 5.2990 6.1655 6.1655 7.8334 7.8334 8.7855 8.7855 9.1032 9.1032 9.9612 9.9612 10.0209 10.0209 10.3136 10.3136 10.3437 10.3437 10.9154 10.9154 11.0247 11.0247 11.4765 11.4765 11.4943 11.4943 11.6485 11.6485 11.8117 11.8117 11.9506 11.9506 12.2251 12.2251 12.3022 12.3022 12.3348 12.3348 12.8160 12.8160 12.9608 12.9608 13.1298 13.1298 13.3403 13.3403 13.6217 13.6217 13.7977 13.7977 14.0447 14.0447 14.1000 14.1000 14.3383 14.3383 14.5618 14.5618 14.7916 14.7916 15.1431 15.1431 15.8351 15.8351 15.8728 15.8728 16.4375 16.4375 16.9109 16.9109 17.1557 17.1557 18.1292 18.1292 19.5904 19.5904 20.5870 20.5870 20.6856 20.6856 21.5671 21.5671 k = 0.0250 0.0245 0.7142 ( 3568 PWs) bands (ev): 5.3020 5.3020 6.1598 6.1598 7.8374 7.8374 8.7913 8.7913 9.0946 9.0946 9.9634 9.9634 10.0236 10.0236 10.3172 10.3172 10.3365 10.3365 10.9177 10.9177 11.0307 11.0307 11.4603 11.4603 11.4974 11.4974 11.6450 11.6450 11.8120 11.8120 11.9360 11.9360 12.2408 12.2408 12.2885 12.2885 12.3520 12.3520 12.8116 12.8116 12.9676 12.9676 13.1293 13.1293 13.3316 13.3316 13.6353 13.6353 13.7948 13.7948 14.0403 14.0403 14.1078 14.1078 14.3445 14.3445 14.5581 14.5581 14.7990 14.7990 15.1397 15.1397 15.8344 15.8344 15.8694 15.8694 16.4271 16.4271 16.9173 16.9173 17.1648 17.1648 18.1311 18.1311 19.5781 19.5781 20.5649 20.5649 20.6896 20.6896 21.5693 21.5693 k = 0.0375 0.0368 0.7142 ( 3568 PWs) bands (ev): 5.3071 5.3071 6.1503 6.1503 7.8440 7.8440 8.8004 8.8004 9.0812 9.0812 9.9669 9.9669 10.0275 10.0275 10.3188 10.3188 10.3292 10.3292 10.9215 10.9215 11.0403 11.0403 11.4392 11.4392 11.4978 11.4978 11.6390 11.6390 11.8124 11.8124 11.9150 11.9150 12.2572 12.2572 12.2817 12.2817 12.3703 12.3703 12.8051 12.8051 12.9783 12.9783 13.1279 13.1279 13.3203 13.3203 13.6545 13.6545 13.7908 13.7908 14.0361 14.0361 14.1170 14.1170 14.3551 14.3551 14.5524 14.5524 14.8110 14.8110 15.1341 15.1341 15.8331 15.8331 15.8640 15.8640 16.4101 16.4101 16.9279 16.9279 17.1799 17.1799 18.1338 18.1338 19.5592 19.5592 20.5273 20.5273 20.6959 20.6959 21.5749 21.5749 k = 0.0500 0.0490 0.7142 ( 3560 PWs) bands (ev): 5.3141 5.3141 6.1372 6.1372 7.8532 7.8532 8.8118 8.8118 9.0642 9.0642 9.9715 9.9715 10.0321 10.0321 10.3055 10.3055 10.3359 10.3359 10.9270 10.9270 11.0529 11.0529 11.4137 11.4137 11.4963 11.4963 11.6301 11.6301 11.8126 11.8126 11.8900 11.8900 12.2540 12.2540 12.2978 12.2978 12.3908 12.3908 12.7971 12.7971 12.9920 12.9920 13.1251 13.1251 13.3095 13.3095 13.6758 13.6758 13.7871 13.7871 14.0334 14.0334 14.1260 14.1260 14.3698 14.3698 14.5457 14.5457 14.8270 14.8270 15.1264 15.1264 15.8311 15.8311 15.8568 15.8568 16.3867 16.3867 16.9423 16.9423 17.2012 17.2012 18.1363 18.1363 19.5361 19.5361 20.4734 20.4734 20.7043 20.7043 21.5856 21.5856 k = 0.0625 0.0613 0.7142 ( 3556 PWs) bands (ev): 5.3231 5.3231 6.1208 6.1208 7.8650 7.8650 8.8239 8.8239 9.0459 9.0459 9.9769 9.9769 10.0364 10.0364 10.2869 10.2869 10.3477 10.3477 10.9340 10.9340 11.0680 11.0680 11.3848 11.3848 11.4934 11.4934 11.6185 11.6185 11.8123 11.8123 11.8630 11.8630 12.2435 12.2435 12.3202 12.3202 12.4150 12.4150 12.7882 12.7882 13.0079 13.0079 13.1207 13.1207 13.3017 13.3017 13.6948 13.6948 13.7863 13.7863 14.0329 14.0329 14.1340 14.1340 14.3879 14.3879 14.5388 14.5388 14.8464 14.8464 15.1165 15.1165 15.8279 15.8279 15.8484 15.8485 16.3576 16.3576 16.9603 16.9603 17.2285 17.2285 18.1377 18.1377 19.5116 19.5116 20.4027 20.4027 20.7148 20.7148 21.6027 21.6027 k = 0.0750 0.0735 0.7142 ( 3580 PWs) bands (ev): 5.3341 5.3341 6.1012 6.1012 7.8793 7.8793 8.8332 8.8332 9.0300 9.0300 9.9829 9.9829 10.0390 10.0390 10.2668 10.2668 10.3623 10.3623 10.9427 10.9427 11.0847 11.0847 11.3535 11.3535 11.4893 11.4893 11.6040 11.6040 11.8115 11.8115 11.8350 11.8350 12.2331 12.2331 12.3385 12.3385 12.4438 12.4438 12.7788 12.7788 13.0252 13.0252 13.1149 13.1149 13.2981 13.2981 13.7070 13.7070 13.7914 13.7914 14.0344 14.0344 14.1410 14.1410 14.4082 14.4082 14.5332 14.5332 14.8690 14.8690 15.1047 15.1047 15.8224 15.8224 15.8404 15.8404 16.3232 16.3232 16.9816 16.9816 17.2619 17.2619 18.1364 18.1364 19.4887 19.4887 20.3156 20.3156 20.7276 20.7276 21.6254 21.6254 k = 0.0875 0.0858 0.7142 ( 3576 PWs) bands (ev): 5.3470 5.3470 6.0788 6.0788 7.8962 7.8962 8.8347 8.8347 9.0220 9.0220 9.9889 9.9889 10.0385 10.0385 10.2470 10.2470 10.3796 10.3796 10.9530 10.9530 11.1022 11.1022 11.3209 11.3209 11.4842 11.4842 11.5868 11.5868 11.8069 11.8069 11.8104 11.8104 12.2235 12.2235 12.3509 12.3509 12.4762 12.4762 12.7694 12.7694 13.0423 13.0423 13.1094 13.1094 13.2992 13.2992 13.7111 13.7111 13.8028 13.8028 14.0378 14.0378 14.1479 14.1479 14.4280 14.4280 14.5312 14.5312 14.8942 14.8942 15.0911 15.0911 15.8131 15.8131 15.8342 15.8342 16.2842 16.2842 17.0059 17.0059 17.3014 17.3014 18.1311 18.1311 19.4709 19.4709 20.2139 20.2139 20.7428 20.7428 21.6491 21.6491 k = 0.1000 0.0980 0.7142 ( 3580 PWs) bands (ev): 5.3617 5.3617 6.0539 6.0539 7.9156 7.9156 8.8235 8.8235 9.0270 9.0270 9.9938 9.9938 10.0340 10.0340 10.2297 10.2297 10.3992 10.3992 10.9649 10.9649 11.1193 11.1193 11.2883 11.2883 11.4784 11.4784 11.5671 11.5671 11.7802 11.7802 11.8077 11.8077 12.2152 12.2152 12.3579 12.3579 12.5099 12.5099 12.7601 12.7601 13.0563 13.0563 13.1082 13.1082 13.3044 13.3044 13.7101 13.7101 13.8165 13.8165 14.0426 14.0426 14.1558 14.1558 14.4435 14.4435 14.5360 14.5360 14.9215 14.9215 15.0760 15.0760 15.8004 15.8004 15.8298 15.8298 16.2414 16.2414 17.0330 17.0330 17.3470 17.3470 18.1202 18.1202 19.4610 19.4610 20.0998 20.0998 20.7603 20.7603 21.6607 21.6607 k = 0.1125 0.1103 0.7142 ( 3578 PWs) bands (ev): 5.3784 5.3784 6.0267 6.0267 7.9375 7.9375 8.7997 8.7997 9.0454 9.0454 9.9929 9.9929 10.0285 10.0285 10.2162 10.2162 10.4212 10.4212 10.9784 10.9784 11.1335 11.1335 11.2582 11.2582 11.4721 11.4721 11.5450 11.5450 11.7549 11.7549 11.8042 11.8042 12.2083 12.2083 12.3604 12.3604 12.5426 12.5426 12.7513 12.7513 13.0631 13.0631 13.1159 13.1159 13.3127 13.3127 13.7074 13.7074 13.8283 13.8283 14.0481 14.0481 14.1659 14.1659 14.4514 14.4514 14.5505 14.5505 14.9499 14.9499 15.0605 15.0605 15.7855 15.7855 15.8262 15.8262 16.1955 16.1955 17.0626 17.0626 17.3988 17.3988 18.1025 18.1025 19.4614 19.4614 19.9759 19.9759 20.7804 20.7804 21.6350 21.6350 k = 0.1250 0.1225 0.7142 ( 3580 PWs) bands (ev): 5.3968 5.3968 5.9976 5.9976 7.9617 7.9617 8.7667 8.7667 9.0739 9.0739 9.9782 9.9782 10.0296 10.0296 10.2069 10.2069 10.4453 10.4453 10.9933 10.9933 11.1391 11.1391 11.2364 11.2364 11.4655 11.4655 11.5207 11.5207 11.7319 11.7319 11.7994 11.7994 12.2029 12.2029 12.3593 12.3593 12.5722 12.5722 12.7432 12.7432 13.0646 13.0646 13.1316 13.1316 13.3235 13.3235 13.7052 13.7052 13.8360 13.8360 14.0532 14.0532 14.1795 14.1795 14.4528 14.4528 14.5730 14.5730 14.9767 14.9767 15.0474 15.0474 15.7688 15.7688 15.8229 15.8229 16.1475 16.1475 17.0946 17.0946 17.4566 17.4566 18.0777 18.0777 19.4729 19.4729 19.8457 19.8457 20.8029 20.8029 21.5582 21.5582 k = 0.1375 0.1348 0.7142 ( 3576 PWs) bands (ev): 5.4170 5.4170 5.9670 5.9670 7.9883 7.9883 8.7278 8.7278 9.1093 9.1093 9.9512 9.9512 10.0366 10.0366 10.2009 10.2009 10.4716 10.4716 11.0097 11.0097 11.1276 11.1276 11.2311 11.2311 11.4588 11.4588 11.4946 11.4946 11.7116 11.7116 11.7932 11.7932 12.1993 12.1993 12.3551 12.3551 12.5975 12.5975 12.7359 12.7359 13.0659 13.0659 13.1500 13.1500 13.3364 13.3364 13.7045 13.7045 13.8390 13.8390 14.0567 14.0567 14.1970 14.1970 14.4511 14.4511 14.5997 14.5997 14.9899 14.9899 15.0485 15.0485 15.7505 15.7505 15.8198 15.8198 16.0985 16.0985 17.1289 17.1289 17.5203 17.5203 18.0460 18.0460 19.4926 19.4926 19.7152 19.7152 20.8280 20.8280 21.4478 21.4478 k = 0.1500 0.1470 0.7142 ( 3584 PWs) bands (ev): 5.4389 5.4389 5.9350 5.9350 8.0172 8.0172 8.6854 8.6854 9.1493 9.1493 9.9166 9.9166 10.0461 10.0461 10.1967 10.1967 10.4998 10.4998 11.0270 11.0270 11.1013 11.1013 11.2405 11.2405 11.4518 11.4518 11.4670 11.4670 11.6945 11.6945 11.7854 11.7854 12.1976 12.1976 12.3484 12.3484 12.6177 12.6177 12.7292 12.7292 13.0697 13.0697 13.1678 13.1678 13.3514 13.3514 13.7052 13.7052 13.8383 13.8383 14.0575 14.0575 14.2183 14.2183 14.4484 14.4484 14.6279 14.6279 14.9803 14.9803 15.0734 15.0734 15.7303 15.7303 15.8167 15.8167 16.0496 16.0496 17.1655 17.1655 17.5890 17.5890 18.0087 18.0087 19.4905 19.4905 19.6165 19.6165 20.8557 20.8557 21.3220 21.3220 k = 0.1625 0.1593 0.7142 ( 3584 PWs) bands (ev): 5.4624 5.4624 5.9021 5.9021 8.0482 8.0482 8.6408 8.6408 9.1927 9.1927 9.8770 9.8770 10.0568 10.0568 10.1930 10.1930 10.5300 10.5300 11.0419 11.0419 11.0715 11.0715 11.2562 11.2562 11.4367 11.4367 11.4462 11.4462 11.6808 11.6808 11.7761 11.7761 12.1978 12.1978 12.3395 12.3395 12.6328 12.6328 12.7231 12.7231 13.0768 13.0768 13.1830 13.1830 13.3692 13.3692 13.7059 13.7059 13.8361 13.8361 14.0548 14.0548 14.2426 14.2426 14.4459 14.4459 14.6559 14.6559 14.9613 14.9613 15.1089 15.1089 15.7076 15.7076 15.8139 15.8139 16.0024 16.0024 17.2044 17.2044 17.6607 17.6607 17.9692 17.9692 19.3899 19.3899 19.6275 19.6275 20.8859 20.8859 21.1897 21.1897 k = 0.1750 0.1716 0.7142 ( 3580 PWs) bands (ev): 5.4874 5.4874 5.8684 5.8684 8.0813 8.0813 8.5949 8.5949 9.2386 9.2386 9.8339 9.8339 10.0683 10.0683 10.1890 10.1890 10.5619 10.5619 11.0234 11.0234 11.0732 11.0732 11.2741 11.2741 11.4073 11.4073 11.4387 11.4387 11.6707 11.6707 11.7653 11.7653 12.2001 12.2001 12.3290 12.3290 12.6438 12.6438 12.7172 12.7172 13.0869 13.0869 13.1939 13.1939 13.3904 13.3904 13.7041 13.7041 13.8356 13.8356 14.0482 14.0482 14.2688 14.2688 14.4439 14.4439 14.6828 14.6828 14.9396 14.9396 15.1486 15.1486 15.6814 15.6814 15.8114 15.8114 15.9585 15.9585 17.2455 17.2455 17.7278 17.7278 17.9364 17.9364 19.2532 19.2532 19.6862 19.6862 20.9180 20.9180 21.0557 21.0557 k = 0.1875 0.1838 0.7142 ( 3570 PWs) bands (ev): 5.5140 5.5140 5.8343 5.8343 8.1165 8.1165 8.5484 8.5484 9.2864 9.2864 9.7883 9.7883 10.0803 10.0803 10.1840 10.1840 10.5954 10.5954 10.9859 10.9859 11.0938 11.0938 11.2924 11.2924 11.3771 11.3771 11.4312 11.4312 11.6645 11.6645 11.7532 11.7532 12.2044 12.2044 12.3171 12.3171 12.6517 12.6517 12.7113 12.7113 13.0995 13.0995 13.1999 13.1999 13.4153 13.4153 13.6967 13.6967 13.8402 13.8402 14.0377 14.0377 14.2956 14.2956 14.4419 14.4419 14.7080 14.7080 14.9170 14.9170 15.1913 15.1913 15.6508 15.6508 15.8095 15.8095 15.9198 15.9198 17.2888 17.2888 17.7634 17.7634 17.9384 17.9384 19.1116 19.1116 19.7613 19.7613 20.9121 20.9121 20.9622 20.9622 k = 0.2000 0.1961 0.7142 ( 3566 PWs) bands (ev): 5.5419 5.5419 5.8000 5.8000 8.1535 8.1535 8.5016 8.5016 9.3357 9.3357 9.7407 9.7407 10.0926 10.0926 10.1778 10.1778 10.6305 10.6305 10.9462 10.9462 11.1169 11.1169 11.3097 11.3097 11.3474 11.3474 11.4230 11.4230 11.6621 11.6621 11.7401 11.7401 12.2107 12.2107 12.3044 12.3044 12.6578 12.6578 12.7051 12.7051 13.1135 13.1135 13.2010 13.2010 13.4437 13.4437 13.6822 13.6822 13.8516 13.8516 14.0234 14.0234 14.3221 14.3221 14.4393 14.4393 14.7313 14.7313 14.8944 14.8944 15.2363 15.2363 15.6150 15.6150 15.8084 15.8084 15.8874 15.8874 17.3343 17.3343 17.7444 17.7444 17.9994 17.9994 18.9702 18.9702 19.8479 19.8479 20.7826 20.7826 20.9961 20.9961 k = 0.2125 0.2083 0.7142 ( 3566 PWs) bands (ev): 5.5711 5.5711 5.7657 5.7657 8.1923 8.1923 8.4549 8.4549 9.3860 9.3860 9.6918 9.6918 10.1050 10.1050 10.1703 10.1703 10.6670 10.6670 10.9057 10.9057 11.1417 11.1417 11.3109 11.3109 11.3334 11.3334 11.4136 11.4136 11.6634 11.6634 11.7264 11.7264 12.2187 12.2187 12.2911 12.2911 12.6630 12.6630 12.6987 12.6987 13.1282 13.1282 13.1977 13.1977 13.4748 13.4748 13.6611 13.6611 13.8688 13.8688 14.0058 14.0058 14.3473 14.3473 14.4353 14.4353 14.7529 14.7529 14.8721 14.8721 15.2833 15.2833 15.5741 15.5741 15.8083 15.8083 15.8619 15.8619 17.3821 17.3821 17.6995 17.6995 18.0920 18.0920 18.8308 18.8308 19.9438 19.9438 20.6508 20.6508 21.0372 21.0372 k = 0.2250 0.2206 0.7142 ( 3570 PWs) bands (ev): 5.6014 5.6014 5.7316 5.7316 8.2328 8.2328 8.4088 8.4088 9.4370 9.4370 9.6417 9.6417 10.1173 10.1173 10.1615 10.1615 10.7047 10.7047 10.8649 10.8649 11.1677 11.1677 11.2832 11.2832 11.3478 11.3478 11.4030 11.4030 11.6681 11.6681 11.7128 11.7128 12.2283 12.2283 12.2776 12.2776 12.6679 12.6679 12.6922 12.6922 13.1429 13.1429 13.1910 13.1910 13.5077 13.5077 13.6350 13.6350 13.8901 13.8901 13.9853 13.9853 14.3702 14.3702 14.4290 14.4290 14.7731 14.7731 14.8507 14.8507 15.3320 15.3320 15.5288 15.5288 15.8098 15.8098 15.8428 15.8428 17.4320 17.4320 17.6471 17.6471 18.1982 18.1982 18.6946 18.6946 20.0476 20.0476 20.5216 20.5216 21.0815 21.0815 k = 0.2375 0.2328 0.7142 ( 3578 PWs) bands (ev): 5.6328 5.6328 5.6980 5.6980 8.2748 8.2748 8.3633 8.3633 9.4883 9.4883 9.5909 9.5909 10.1294 10.1294 10.1517 10.1517 10.7434 10.7434 10.8243 10.8243 11.1948 11.1948 11.2539 11.2539 11.3634 11.3634 11.3909 11.3909 11.6758 11.6758 11.6996 11.6996 12.2393 12.2393 12.2643 12.2643 12.6731 12.6731 12.6859 12.6859 13.1571 13.1571 13.1815 13.1815 13.5411 13.5411 13.6054 13.6054 13.9136 13.9136 13.9626 13.9626 14.3902 14.3902 14.4196 14.4196 14.7926 14.7926 14.8302 14.8302 15.3818 15.3818 15.4807 15.4807 15.8132 15.8132 15.8291 15.8291 17.4838 17.4838 17.5927 17.5927 18.3131 18.3131 18.5625 18.5625 20.1582 20.1582 20.3958 20.3958 21.1290 21.1290 k = 0.2500 0.2451 0.7142 ( 3576 PWs) bands (ev): 5.6648 5.6648 5.6652 5.6652 8.3182 8.3182 8.3189 8.3189 9.5397 9.5397 9.5398 9.5398 10.1407 10.1407 10.1411 10.1411 10.7830 10.7830 10.7840 10.7840 11.2228 11.2228 11.2252 11.2252 11.3770 11.3770 11.3785 11.3785 11.6860 11.6860 11.6877 11.6877 12.2512 12.2512 12.2514 12.2514 12.6785 12.6785 12.6799 12.6799 13.1695 13.1695 13.1706 13.1706 13.5734 13.5734 13.5743 13.5743 13.9378 13.9378 13.9387 13.9387 14.4065 14.4065 14.4069 14.4069 14.8105 14.8105 14.8120 14.8120 15.4306 15.4306 15.4324 15.4324 15.8193 15.8193 15.8198 15.8198 17.5372 17.5372 17.5382 17.5382 18.4347 18.4347 18.4353 18.4353 20.2743 20.2743 20.2747 20.2747 21.1795 21.1795 Writing output data file GePt3.save init_run : 0.33s CPU 0.46s WALL ( 1 calls) electrons : 433.10s CPU 438.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 433.09s CPU 438.57s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 308 calls) cegterg : 405.05s CPU 409.81s WALL ( 562 calls) Called by sum_band: Called by *egterg: h_psi : 215.93s CPU 219.10s WALL ( 8596 calls) s_psi : 21.50s CPU 21.34s WALL ( 8596 calls) g_psi : 0.39s CPU 0.42s WALL ( 7726 calls) cdiaghg : 153.08s CPU 154.88s WALL ( 8034 calls) cegterg:over : 15.88s CPU 15.86s WALL ( 7726 calls) cegterg:upda : 11.88s CPU 11.95s WALL ( 7726 calls) cegterg:last : 6.39s CPU 6.45s WALL ( 1520 calls) cdiaghg:chol : 9.09s CPU 9.31s WALL ( 8034 calls) cdiaghg:inve : 6.76s CPU 6.89s WALL ( 8034 calls) cdiaghg:para : 12.42s CPU 12.33s WALL ( 16068 calls) Called by h_psi: h_psi:vloc : 179.19s CPU 181.99s WALL ( 8596 calls) h_psi:vnl : 36.29s CPU 36.63s WALL ( 8596 calls) add_vuspsi : 20.55s CPU 20.61s WALL ( 8596 calls) General routines calbec : 15.72s CPU 16.00s WALL ( 8596 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 166.26s CPU 168.37s WALL ( 1624868 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.31s WALL ( 616 calls) Parallel routines fft_scatter : 53.92s CPU 55.37s WALL ( 1624891 calls) PWSCF : 7m34.36s CPU 7m56.40s WALL This run was terminated on: 19: 7: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=