Program PWSCF v.5.4.0 starts on 15Mar2017 at 12:36:24 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./ZnAg2SnS4.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 48 33 9 1311 754 113 Max 49 34 10 1316 771 116 Sum 3459 2419 677 94623 55009 8211 bravais-lattice index = 14 lattice parameter (alat) = 12.8245 a.u. unit-cell volume = 1223.2401 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.824504 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.636551 celldm(5)= -0.636551 celldm(6)= 0.273102 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.273102 0.961985 0.000000 ) a(3) = ( -0.636551 -0.480993 0.602867 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.283894 0.829370 ) b(2) = ( 0.000000 1.039517 0.829370 ) b(3) = ( 0.000000 0.000000 1.658740 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 1.00) Zn 12.00 65.40900 Zn( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 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 s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0212659), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0425318), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0637977), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0850636), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.1063295), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.1275954), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.1488613), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1701272), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1913931), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.2126590), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.2339249), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.2551908), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.2764567), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.2977226), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.3189884), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.3402544), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.3615202), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.3827861), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.4040520), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.4253179), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.4465838), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.4678497), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.4891156), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.5103815), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.5316474), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.5529133), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.5741792), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.5954451), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.6167110), wk = 0.0036630 k( 31) = ( 0.0000000 0.0000000 0.6379769), wk = 0.0036630 k( 32) = ( 0.0000000 0.0000000 0.6592428), wk = 0.0036630 k( 33) = ( 0.0000000 0.0000000 0.6805087), wk = 0.0036630 k( 34) = ( 0.0000000 0.0000000 0.7017746), wk = 0.0036630 k( 35) = ( 0.0000000 0.0000000 0.7230405), wk = 0.0036630 k( 36) = ( 0.0000000 0.0000000 0.7443064), wk = 0.0036630 k( 37) = ( 0.0000000 0.0000000 0.7655723), wk = 0.0036630 k( 38) = ( 0.0000000 0.0000000 0.7868382), wk = 0.0036630 k( 39) = ( 0.0000000 0.0000000 0.8081041), wk = 0.0036630 k( 40) = ( 0.0000000 0.0000000 0.8293700), wk = 0.0036630 k( 41) = ( 0.0000000 0.0000000 0.8293700), wk = 0.0036630 k( 42) = ( -0.0129765 0.0171733 0.8293700), wk = 0.0036630 k( 43) = ( -0.0259530 0.0343465 0.8293700), wk = 0.0036630 k( 44) = ( -0.0389295 0.0515197 0.8293700), wk = 0.0036630 k( 45) = ( -0.0519060 0.0686930 0.8293700), wk = 0.0036630 k( 46) = ( -0.0648825 0.0858662 0.8293700), wk = 0.0036630 k( 47) = ( -0.0778590 0.1030395 0.8293700), wk = 0.0036630 k( 48) = ( -0.0908355 0.1202127 0.8293700), wk = 0.0036630 k( 49) = ( -0.1038120 0.1373860 0.8293700), wk = 0.0036630 k( 50) = ( -0.1167885 0.1545592 0.8293700), wk = 0.0036630 k( 51) = ( -0.1297650 0.1717325 0.8293700), wk = 0.0036630 k( 52) = ( -0.1427415 0.1889057 0.8293700), wk = 0.0036630 k( 53) = ( -0.1427415 0.1889057 0.8293700), wk = 0.0036630 k( 54) = ( -0.1516729 0.2007257 0.8145550), wk = 0.0036630 k( 55) = ( -0.1606044 0.2125457 0.7997400), wk = 0.0036630 k( 56) = ( -0.1695359 0.2243657 0.7849250), wk = 0.0036630 k( 57) = ( -0.1784673 0.2361857 0.7701101), wk = 0.0036630 k( 58) = ( -0.1873988 0.2480057 0.7552951), wk = 0.0036630 k( 59) = ( -0.1963303 0.2598257 0.7404801), wk = 0.0036630 k( 60) = ( -0.2052617 0.2716457 0.7256651), wk = 0.0036630 k( 61) = ( -0.2141932 0.2834657 0.7108502), wk = 0.0036630 k( 62) = ( -0.2231246 0.2952857 0.6960352), wk = 0.0036630 k( 63) = ( -0.2320561 0.3071057 0.6812202), wk = 0.0036630 k( 64) = ( -0.2409876 0.3189257 0.6664052), wk = 0.0036630 k( 65) = ( -0.2499190 0.3307457 0.6515903), wk = 0.0036630 k( 66) = ( -0.2588505 0.3425657 0.6367753), wk = 0.0036630 k( 67) = ( -0.2677819 0.3543857 0.6219603), wk = 0.0036630 k( 68) = ( -0.2767134 0.3662057 0.6071453), wk = 0.0036630 k( 69) = ( -0.2856449 0.3780257 0.5923304), wk = 0.0036630 k( 70) = ( -0.2945763 0.3898457 0.5775154), wk = 0.0036630 k( 71) = ( -0.3035078 0.4016657 0.5627004), wk = 0.0036630 k( 72) = ( -0.3124393 0.4134857 0.5478855), wk = 0.0036630 k( 73) = ( -0.3213707 0.4253057 0.5330705), wk = 0.0036630 k( 74) = ( -0.3213707 0.4253057 0.5330705), wk = 0.0036630 k( 75) = ( -0.3121887 0.4131542 0.5178399), wk = 0.0036630 k( 76) = ( -0.3030067 0.4010026 0.5026093), wk = 0.0036630 k( 77) = ( -0.2938247 0.3888510 0.4873787), wk = 0.0036630 k( 78) = ( -0.2846426 0.3766994 0.4721481), wk = 0.0036630 k( 79) = ( -0.2754606 0.3645478 0.4569175), wk = 0.0036630 k( 80) = ( -0.2662786 0.3523962 0.4416870), wk = 0.0036630 k( 81) = ( -0.2570966 0.3402446 0.4264564), wk = 0.0036630 k( 82) = ( -0.2479146 0.3280930 0.4112258), wk = 0.0036630 k( 83) = ( -0.2387325 0.3159414 0.3959952), wk = 0.0036630 k( 84) = ( -0.2295505 0.3037898 0.3807646), wk = 0.0036630 k( 85) = ( -0.2203685 0.2916382 0.3655340), wk = 0.0036630 k( 86) = ( -0.2111865 0.2794866 0.3503034), wk = 0.0036630 k( 87) = ( -0.2020045 0.2673350 0.3350729), wk = 0.0036630 k( 88) = ( -0.1928224 0.2551834 0.3198423), wk = 0.0036630 k( 89) = ( -0.1836404 0.2430319 0.3046117), wk = 0.0036630 k( 90) = ( -0.1744584 0.2308803 0.2893811), wk = 0.0036630 k( 91) = ( -0.1652764 0.2187287 0.2741505), wk = 0.0036630 k( 92) = ( -0.1560944 0.2065771 0.2589199), wk = 0.0036630 k( 93) = ( -0.1469123 0.1944255 0.2436894), wk = 0.0036630 k( 94) = ( -0.1377303 0.1822739 0.2284588), wk = 0.0036630 k( 95) = ( -0.1285483 0.1701223 0.2132282), wk = 0.0036630 k( 96) = ( -0.1193663 0.1579707 0.1979976), wk = 0.0036630 k( 97) = ( -0.1101842 0.1458191 0.1827670), wk = 0.0036630 k( 98) = ( -0.1010022 0.1336675 0.1675364), wk = 0.0036630 k( 99) = ( -0.0918202 0.1215159 0.1523058), wk = 0.0036630 k( 100) = ( -0.0826382 0.1093643 0.1370753), wk = 0.0036630 k( 101) = ( -0.0734562 0.0972127 0.1218447), wk = 0.0036630 k( 102) = ( -0.0642742 0.0850612 0.1066141), wk = 0.0036630 k( 103) = ( -0.0550921 0.0729096 0.0913835), wk = 0.0036630 k( 104) = ( -0.0459101 0.0607580 0.0761529), wk = 0.0036630 k( 105) = ( -0.0367281 0.0486064 0.0609223), wk = 0.0036630 k( 106) = ( -0.0275461 0.0364548 0.0456917), wk = 0.0036630 k( 107) = ( -0.0183640 0.0243032 0.0304612), wk = 0.0036630 k( 108) = ( -0.0091820 0.0121516 0.0152306), wk = 0.0036630 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 111) = ( 0.0166667 0.0125937 -0.0000000), wk = 0.0036630 k( 112) = ( 0.0333333 0.0251874 0.0000000), wk = 0.0036630 k( 113) = ( 0.0500000 0.0377811 -0.0000000), wk = 0.0036630 k( 114) = ( 0.0666667 0.0503749 -0.0000000), wk = 0.0036630 k( 115) = ( 0.0833333 0.0629686 -0.0000000), wk = 0.0036630 k( 116) = ( 0.1000000 0.0755623 -0.0000000), wk = 0.0036630 k( 117) = ( 0.1166667 0.0881560 0.0000000), wk = 0.0036630 k( 118) = ( 0.1333333 0.1007497 -0.0000000), wk = 0.0036630 k( 119) = ( 0.1500000 0.1133434 0.0000000), wk = 0.0036630 k( 120) = ( 0.1666667 0.1259371 -0.0000000), wk = 0.0036630 k( 121) = ( 0.1833333 0.1385309 0.0000000), wk = 0.0036630 k( 122) = ( 0.2000000 0.1511246 -0.0000000), wk = 0.0036630 k( 123) = ( 0.2166667 0.1637183 -0.0000000), wk = 0.0036630 k( 124) = ( 0.2333333 0.1763120 -0.0000000), wk = 0.0036630 k( 125) = ( 0.2500000 0.1889057 0.0000000), wk = 0.0036630 k( 126) = ( 0.2666667 0.2014994 0.0000000), wk = 0.0036630 k( 127) = ( 0.2833333 0.2140931 0.0000000), wk = 0.0036630 k( 128) = ( 0.3000000 0.2266869 0.0000000), wk = 0.0036630 k( 129) = ( 0.3166667 0.2392806 -0.0000000), wk = 0.0036630 k( 130) = ( 0.3333333 0.2518743 -0.0000000), wk = 0.0036630 k( 131) = ( 0.3500000 0.2644680 -0.0000000), wk = 0.0036630 k( 132) = ( 0.3666667 0.2770617 -0.0000000), wk = 0.0036630 k( 133) = ( 0.3833333 0.2896554 0.0000000), wk = 0.0036630 k( 134) = ( 0.4000000 0.3022491 -0.0000000), wk = 0.0036630 k( 135) = ( 0.4166667 0.3148429 -0.0000000), wk = 0.0036630 k( 136) = ( 0.4333333 0.3274366 0.0000000), wk = 0.0036630 k( 137) = ( 0.4500000 0.3400303 -0.0000000), wk = 0.0036630 k( 138) = ( 0.4666667 0.3526240 -0.0000000), wk = 0.0036630 k( 139) = ( 0.4833333 0.3652177 0.0000000), wk = 0.0036630 k( 140) = ( 0.5000000 0.3778114 0.0000000), wk = 0.0036630 k( 141) = ( 0.5000000 0.3778114 0.0000000), wk = 0.0036630 k( 142) = ( 0.4910685 0.3896314 0.0148150), wk = 0.0036630 k( 143) = ( 0.4821371 0.4014514 0.0296300), wk = 0.0036630 k( 144) = ( 0.4732056 0.4132714 0.0444449), wk = 0.0036630 k( 145) = ( 0.4642741 0.4250914 0.0592599), wk = 0.0036630 k( 146) = ( 0.4553427 0.4369114 0.0740749), wk = 0.0036630 k( 147) = ( 0.4464112 0.4487314 0.0888898), wk = 0.0036630 k( 148) = ( 0.4374798 0.4605514 0.1037048), wk = 0.0036630 k( 149) = ( 0.4285483 0.4723714 0.1185198), wk = 0.0036630 k( 150) = ( 0.4196168 0.4841914 0.1333348), wk = 0.0036630 k( 151) = ( 0.4106854 0.4960114 0.1481497), wk = 0.0036630 k( 152) = ( 0.4017539 0.5078314 0.1629647), wk = 0.0036630 k( 153) = ( 0.3928224 0.5196514 0.1777797), wk = 0.0036630 k( 154) = ( 0.3838910 0.5314714 0.1925947), wk = 0.0036630 k( 155) = ( 0.3749595 0.5432914 0.2074097), wk = 0.0036630 k( 156) = ( 0.3660280 0.5551114 0.2222246), wk = 0.0036630 k( 157) = ( 0.3570966 0.5669314 0.2370396), wk = 0.0036630 k( 158) = ( 0.3481651 0.5787515 0.2518546), wk = 0.0036630 k( 159) = ( 0.3392337 0.5905715 0.2666695), wk = 0.0036630 k( 160) = ( 0.3303022 0.6023914 0.2814845), wk = 0.0036630 k( 161) = ( 0.3213707 0.6142115 0.2962995), wk = 0.0036630 k( 162) = ( 0.3213707 0.6142115 0.2962995), wk = 0.0036630 k( 163) = ( 0.3024666 0.6086554 0.3032634), wk = 0.0036630 k( 164) = ( 0.2835624 0.6030994 0.3102272), wk = 0.0036630 k( 165) = ( 0.2646582 0.5975433 0.3171911), wk = 0.0036630 k( 166) = ( 0.2457541 0.5919873 0.3241549), wk = 0.0036630 k( 167) = ( 0.2268499 0.5864312 0.3311188), wk = 0.0036630 k( 168) = ( 0.2079458 0.5808751 0.3380826), wk = 0.0036630 k( 169) = ( 0.1890416 0.5753191 0.3450465), wk = 0.0036630 k( 170) = ( 0.1701374 0.5697631 0.3520103), wk = 0.0036630 k( 171) = ( 0.1512333 0.5642070 0.3589742), wk = 0.0036630 k( 172) = ( 0.1323291 0.5586510 0.3659380), wk = 0.0036630 k( 173) = ( 0.1134250 0.5530949 0.3729019), wk = 0.0036630 k( 174) = ( 0.0945208 0.5475389 0.3798657), wk = 0.0036630 k( 175) = ( 0.0756166 0.5419828 0.3868296), wk = 0.0036630 k( 176) = ( 0.0567125 0.5364268 0.3937934), wk = 0.0036630 k( 177) = ( 0.0378083 0.5308707 0.4007573), wk = 0.0036630 k( 178) = ( 0.0189042 0.5253146 0.4077211), wk = 0.0036630 k( 179) = ( 0.0000000 0.5197586 0.4146850), wk = 0.0036630 k( 180) = ( 0.0000000 0.5197586 0.4146850), wk = 0.0036630 k( 181) = ( 0.0089286 0.5079424 0.4294952), wk = 0.0036630 k( 182) = ( 0.0178571 0.4961263 0.4443053), wk = 0.0036630 k( 183) = ( 0.0267857 0.4843101 0.4591155), wk = 0.0036630 k( 184) = ( 0.0357143 0.4724939 0.4739257), wk = 0.0036630 k( 185) = ( 0.0446429 0.4606777 0.4887359), wk = 0.0036630 k( 186) = ( 0.0535714 0.4488616 0.5035461), wk = 0.0036630 k( 187) = ( 0.0625000 0.4370454 0.5183562), wk = 0.0036630 k( 188) = ( 0.0714286 0.4252292 0.5331664), wk = 0.0036630 k( 189) = ( 0.0803571 0.4134130 0.5479766), wk = 0.0036630 k( 190) = ( 0.0892857 0.4015969 0.5627868), wk = 0.0036630 k( 191) = ( 0.0982143 0.3897807 0.5775969), wk = 0.0036630 k( 192) = ( 0.1071429 0.3779645 0.5924071), wk = 0.0036630 k( 193) = ( 0.1160714 0.3661483 0.6072173), wk = 0.0036630 k( 194) = ( 0.1250000 0.3543322 0.6220275), wk = 0.0036630 k( 195) = ( 0.1339286 0.3425160 0.6368377), wk = 0.0036630 k( 196) = ( 0.1428571 0.3306998 0.6516478), wk = 0.0036630 k( 197) = ( 0.1517857 0.3188836 0.6664580), wk = 0.0036630 k( 198) = ( 0.1607143 0.3070675 0.6812682), wk = 0.0036630 k( 199) = ( 0.1696429 0.2952513 0.6960784), wk = 0.0036630 k( 200) = ( 0.1785714 0.2834351 0.7108885), wk = 0.0036630 k( 201) = ( 0.1875000 0.2716189 0.7256987), wk = 0.0036630 k( 202) = ( 0.1964286 0.2598028 0.7405089), wk = 0.0036630 k( 203) = ( 0.2053571 0.2479866 0.7553191), wk = 0.0036630 k( 204) = ( 0.2142857 0.2361704 0.7701292), wk = 0.0036630 k( 205) = ( 0.2232143 0.2243542 0.7849394), wk = 0.0036630 k( 206) = ( 0.2321429 0.2125381 0.7997496), wk = 0.0036630 k( 207) = ( 0.2410714 0.2007219 0.8145598), wk = 0.0036630 k( 208) = ( 0.2500000 0.1889057 0.8293700), wk = 0.0036630 k( 209) = ( 0.2500000 0.1889057 0.8293700), wk = 0.0036630 k( 210) = ( 0.2631579 0.1988481 0.8169083), wk = 0.0036630 k( 211) = ( 0.2763158 0.2087905 0.8044467), wk = 0.0036630 k( 212) = ( 0.2894737 0.2187329 0.7919851), wk = 0.0036630 k( 213) = ( 0.3026316 0.2286753 0.7795235), wk = 0.0036630 k( 214) = ( 0.3157895 0.2386177 0.7670618), wk = 0.0036630 k( 215) = ( 0.3289474 0.2485601 0.7546002), wk = 0.0036630 k( 216) = ( 0.3421053 0.2585025 0.7421386), wk = 0.0036630 k( 217) = ( 0.3552632 0.2684450 0.7296769), wk = 0.0036630 k( 218) = ( 0.3684211 0.2783874 0.7172153), wk = 0.0036630 k( 219) = ( 0.3815789 0.2883298 0.7047537), wk = 0.0036630 k( 220) = ( 0.3947368 0.2982722 0.6922920), wk = 0.0036630 k( 221) = ( 0.4078947 0.3082146 0.6798304), wk = 0.0036630 k( 222) = ( 0.4210526 0.3181570 0.6673688), wk = 0.0036630 k( 223) = ( 0.4342105 0.3280994 0.6549072), wk = 0.0036630 k( 224) = ( 0.4473684 0.3380418 0.6424455), wk = 0.0036630 k( 225) = ( 0.4605263 0.3479842 0.6299839), wk = 0.0036630 k( 226) = ( 0.4736842 0.3579266 0.6175223), wk = 0.0036630 k( 227) = ( 0.4868421 0.3678690 0.6050606), wk = 0.0036630 k( 228) = ( 0.5000000 0.3778114 0.5925990), wk = 0.0036630 k( 229) = ( 0.5000000 0.3778114 0.5925990), wk = 0.0036630 k( 230) = ( 0.5000000 0.3778114 0.5714347), wk = 0.0036630 k( 231) = ( 0.5000000 0.3778114 0.5502705), wk = 0.0036630 k( 232) = ( 0.5000000 0.3778114 0.5291062), wk = 0.0036630 k( 233) = ( 0.5000000 0.3778114 0.5079420), wk = 0.0036630 k( 234) = ( 0.5000000 0.3778114 0.4867778), wk = 0.0036630 k( 235) = ( 0.5000000 0.3778114 0.4656135), wk = 0.0036630 k( 236) = ( 0.5000000 0.3778114 0.4444492), wk = 0.0036630 k( 237) = ( 0.5000000 0.3778114 0.4232850), wk = 0.0036630 k( 238) = ( 0.5000000 0.3778114 0.4021207), wk = 0.0036630 k( 239) = ( 0.5000000 0.3778114 0.3809565), wk = 0.0036630 k( 240) = ( 0.5000000 0.3778114 0.3597923), wk = 0.0036630 k( 241) = ( 0.5000000 0.3778114 0.3386280), wk = 0.0036630 k( 242) = ( 0.5000000 0.3778114 0.3174637), wk = 0.0036630 k( 243) = ( 0.5000000 0.3778114 0.2962995), wk = 0.0036630 k( 244) = ( 0.5000000 0.3778114 0.2751352), wk = 0.0036630 k( 245) = ( 0.5000000 0.3778114 0.2539710), wk = 0.0036630 k( 246) = ( 0.5000000 0.3778114 0.2328068), wk = 0.0036630 k( 247) = ( 0.5000000 0.3778114 0.2116425), wk = 0.0036630 k( 248) = ( 0.5000000 0.3778114 0.1904782), wk = 0.0036630 k( 249) = ( 0.5000000 0.3778114 0.1693140), wk = 0.0036630 k( 250) = ( 0.5000000 0.3778114 0.1481497), wk = 0.0036630 k( 251) = ( 0.5000000 0.3778114 0.1269855), wk = 0.0036630 k( 252) = ( 0.5000000 0.3778114 0.1058213), wk = 0.0036630 k( 253) = ( 0.5000000 0.3778114 0.0846570), wk = 0.0036630 k( 254) = ( 0.5000000 0.3778114 0.0634927), wk = 0.0036630 k( 255) = ( 0.5000000 0.3778114 0.0423285), wk = 0.0036630 k( 256) = ( 0.5000000 0.3778114 0.0211642), wk = 0.0036630 k( 257) = ( 0.5000000 0.3778114 0.0000000), wk = 0.0036630 k( 258) = ( 0.0000000 0.0000000 0.8293700), wk = 0.0036630 k( 259) = ( 0.0166667 0.0125937 0.8293700), wk = 0.0036630 k( 260) = ( 0.0333333 0.0251874 0.8293700), wk = 0.0036630 k( 261) = ( 0.0500000 0.0377811 0.8293700), wk = 0.0036630 k( 262) = ( 0.0666667 0.0503749 0.8293700), wk = 0.0036630 k( 263) = ( 0.0833333 0.0629686 0.8293700), wk = 0.0036630 k( 264) = ( 0.1000000 0.0755623 0.8293700), wk = 0.0036630 k( 265) = ( 0.1166667 0.0881560 0.8293700), wk = 0.0036630 k( 266) = ( 0.1333333 0.1007497 0.8293700), wk = 0.0036630 k( 267) = ( 0.1500000 0.1133434 0.8293700), wk = 0.0036630 k( 268) = ( 0.1666667 0.1259371 0.8293700), wk = 0.0036630 k( 269) = ( 0.1833333 0.1385309 0.8293700), wk = 0.0036630 k( 270) = ( 0.2000000 0.1511246 0.8293700), wk = 0.0036630 k( 271) = ( 0.2166667 0.1637183 0.8293700), wk = 0.0036630 k( 272) = ( 0.2333333 0.1763120 0.8293700), wk = 0.0036630 k( 273) = ( 0.2500000 0.1889057 0.8293700), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036630 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036630 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036630 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036630 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036630 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036630 k( 36) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0036630 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036630 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036630 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036630 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 42) = ( -0.0129765 0.0129765 0.5000000), wk = 0.0036630 k( 43) = ( -0.0259530 0.0259530 0.5000000), wk = 0.0036630 k( 44) = ( -0.0389295 0.0389295 0.5000000), wk = 0.0036630 k( 45) = ( -0.0519060 0.0519060 0.5000000), wk = 0.0036630 k( 46) = ( -0.0648825 0.0648825 0.5000000), wk = 0.0036630 k( 47) = ( -0.0778590 0.0778590 0.5000000), wk = 0.0036630 k( 48) = ( -0.0908355 0.0908355 0.5000000), wk = 0.0036630 k( 49) = ( -0.1038120 0.1038120 0.5000000), wk = 0.0036630 k( 50) = ( -0.1167885 0.1167885 0.5000000), wk = 0.0036630 k( 51) = ( -0.1297650 0.1297650 0.5000000), wk = 0.0036630 k( 52) = ( -0.1427415 0.1427415 0.5000000), wk = 0.0036630 k( 53) = ( -0.1427415 0.1427415 0.5000000), wk = 0.0036630 k( 54) = ( -0.1516729 0.1516729 0.4910685), wk = 0.0036630 k( 55) = ( -0.1606044 0.1606044 0.4821371), wk = 0.0036630 k( 56) = ( -0.1695359 0.1695359 0.4732056), wk = 0.0036630 k( 57) = ( -0.1784673 0.1784673 0.4642742), wk = 0.0036630 k( 58) = ( -0.1873988 0.1873988 0.4553427), wk = 0.0036630 k( 59) = ( -0.1963303 0.1963303 0.4464112), wk = 0.0036630 k( 60) = ( -0.2052617 0.2052617 0.4374798), wk = 0.0036630 k( 61) = ( -0.2141932 0.2141932 0.4285483), wk = 0.0036630 k( 62) = ( -0.2231246 0.2231246 0.4196168), wk = 0.0036630 k( 63) = ( -0.2320561 0.2320561 0.4106854), wk = 0.0036630 k( 64) = ( -0.2409876 0.2409876 0.4017539), wk = 0.0036630 k( 65) = ( -0.2499190 0.2499190 0.3928224), wk = 0.0036630 k( 66) = ( -0.2588505 0.2588505 0.3838910), wk = 0.0036630 k( 67) = ( -0.2677819 0.2677820 0.3749595), wk = 0.0036630 k( 68) = ( -0.2767134 0.2767134 0.3660280), wk = 0.0036630 k( 69) = ( -0.2856449 0.2856449 0.3570966), wk = 0.0036630 k( 70) = ( -0.2945763 0.2945763 0.3481651), wk = 0.0036630 k( 71) = ( -0.3035078 0.3035078 0.3392337), wk = 0.0036630 k( 72) = ( -0.3124393 0.3124393 0.3303022), wk = 0.0036630 k( 73) = ( -0.3213707 0.3213707 0.3213707), wk = 0.0036630 k( 74) = ( -0.3213707 0.3213707 0.3213707), wk = 0.0036630 k( 75) = ( -0.3121887 0.3121887 0.3121887), wk = 0.0036630 k( 76) = ( -0.3030067 0.3030067 0.3030067), wk = 0.0036630 k( 77) = ( -0.2938247 0.2938247 0.2938247), wk = 0.0036630 k( 78) = ( -0.2846426 0.2846427 0.2846426), wk = 0.0036630 k( 79) = ( -0.2754606 0.2754606 0.2754606), wk = 0.0036630 k( 80) = ( -0.2662786 0.2662786 0.2662786), wk = 0.0036630 k( 81) = ( -0.2570966 0.2570966 0.2570966), wk = 0.0036630 k( 82) = ( -0.2479146 0.2479146 0.2479146), wk = 0.0036630 k( 83) = ( -0.2387325 0.2387325 0.2387325), wk = 0.0036630 k( 84) = ( -0.2295505 0.2295505 0.2295505), wk = 0.0036630 k( 85) = ( -0.2203685 0.2203685 0.2203685), wk = 0.0036630 k( 86) = ( -0.2111865 0.2111865 0.2111865), wk = 0.0036630 k( 87) = ( -0.2020045 0.2020045 0.2020045), wk = 0.0036630 k( 88) = ( -0.1928224 0.1928224 0.1928224), wk = 0.0036630 k( 89) = ( -0.1836404 0.1836404 0.1836404), wk = 0.0036630 k( 90) = ( -0.1744584 0.1744584 0.1744584), wk = 0.0036630 k( 91) = ( -0.1652764 0.1652764 0.1652764), wk = 0.0036630 k( 92) = ( -0.1560944 0.1560944 0.1560944), wk = 0.0036630 k( 93) = ( -0.1469123 0.1469123 0.1469123), wk = 0.0036630 k( 94) = ( -0.1377303 0.1377303 0.1377303), wk = 0.0036630 k( 95) = ( -0.1285483 0.1285483 0.1285483), wk = 0.0036630 k( 96) = ( -0.1193663 0.1193663 0.1193663), wk = 0.0036630 k( 97) = ( -0.1101842 0.1101843 0.1101843), wk = 0.0036630 k( 98) = ( -0.1010022 0.1010022 0.1010022), wk = 0.0036630 k( 99) = ( -0.0918202 0.0918202 0.0918202), wk = 0.0036630 k( 100) = ( -0.0826382 0.0826382 0.0826382), wk = 0.0036630 k( 101) = ( -0.0734562 0.0734562 0.0734562), wk = 0.0036630 k( 102) = ( -0.0642742 0.0642742 0.0642742), wk = 0.0036630 k( 103) = ( -0.0550921 0.0550921 0.0550921), wk = 0.0036630 k( 104) = ( -0.0459101 0.0459101 0.0459101), wk = 0.0036630 k( 105) = ( -0.0367281 0.0367281 0.0367281), wk = 0.0036630 k( 106) = ( -0.0275461 0.0275461 0.0275461), wk = 0.0036630 k( 107) = ( -0.0183640 0.0183640 0.0183640), wk = 0.0036630 k( 108) = ( -0.0091820 0.0091820 0.0091820), wk = 0.0036630 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 111) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036630 k( 112) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036630 k( 113) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036630 k( 114) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036630 k( 115) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036630 k( 116) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036630 k( 117) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036630 k( 118) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036630 k( 119) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036630 k( 120) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036630 k( 121) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036630 k( 122) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036630 k( 123) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036630 k( 124) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036630 k( 125) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036630 k( 126) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036630 k( 127) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036630 k( 128) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036630 k( 129) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036630 k( 130) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036630 k( 131) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036630 k( 132) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036630 k( 133) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036630 k( 134) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036630 k( 135) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036630 k( 136) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036630 k( 137) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036630 k( 138) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036630 k( 139) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036630 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 141) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 142) = ( 0.4910685 0.5089315 -0.4910685), wk = 0.0036630 k( 143) = ( 0.4821371 0.5178629 -0.4821371), wk = 0.0036630 k( 144) = ( 0.4732056 0.5267944 -0.4732056), wk = 0.0036630 k( 145) = ( 0.4642741 0.5357259 -0.4642741), wk = 0.0036630 k( 146) = ( 0.4553427 0.5446573 -0.4553427), wk = 0.0036630 k( 147) = ( 0.4464112 0.5535888 -0.4464112), wk = 0.0036630 k( 148) = ( 0.4374798 0.5625202 -0.4374798), wk = 0.0036630 k( 149) = ( 0.4285483 0.5714517 -0.4285483), wk = 0.0036630 k( 150) = ( 0.4196168 0.5803832 -0.4196168), wk = 0.0036630 k( 151) = ( 0.4106854 0.5893146 -0.4106854), wk = 0.0036630 k( 152) = ( 0.4017539 0.5982461 -0.4017539), wk = 0.0036630 k( 153) = ( 0.3928224 0.6071776 -0.3928224), wk = 0.0036630 k( 154) = ( 0.3838910 0.6161090 -0.3838910), wk = 0.0036630 k( 155) = ( 0.3749595 0.6250405 -0.3749595), wk = 0.0036630 k( 156) = ( 0.3660280 0.6339720 -0.3660281), wk = 0.0036630 k( 157) = ( 0.3570966 0.6429034 -0.3570966), wk = 0.0036630 k( 158) = ( 0.3481651 0.6518349 -0.3481651), wk = 0.0036630 k( 159) = ( 0.3392337 0.6607663 -0.3392337), wk = 0.0036630 k( 160) = ( 0.3303022 0.6696978 -0.3303022), wk = 0.0036630 k( 161) = ( 0.3213707 0.6786293 -0.3213707), wk = 0.0036630 k( 162) = ( 0.3213707 0.6786293 -0.3213707), wk = 0.0036630 k( 163) = ( 0.3024666 0.6681217 -0.3024666), wk = 0.0036630 k( 164) = ( 0.2835624 0.6576141 -0.2835624), wk = 0.0036630 k( 165) = ( 0.2646582 0.6471065 -0.2646583), wk = 0.0036630 k( 166) = ( 0.2457541 0.6365989 -0.2457541), wk = 0.0036630 k( 167) = ( 0.2268499 0.6260913 -0.2268499), wk = 0.0036630 k( 168) = ( 0.2079458 0.6155836 -0.2079458), wk = 0.0036630 k( 169) = ( 0.1890416 0.6050760 -0.1890416), wk = 0.0036630 k( 170) = ( 0.1701374 0.5945684 -0.1701375), wk = 0.0036630 k( 171) = ( 0.1512333 0.5840608 -0.1512333), wk = 0.0036630 k( 172) = ( 0.1323291 0.5735532 -0.1323291), wk = 0.0036630 k( 173) = ( 0.1134250 0.5630456 -0.1134250), wk = 0.0036630 k( 174) = ( 0.0945208 0.5525380 -0.0945208), wk = 0.0036630 k( 175) = ( 0.0756166 0.5420304 -0.0756166), wk = 0.0036630 k( 176) = ( 0.0567125 0.5315228 -0.0567125), wk = 0.0036630 k( 177) = ( 0.0378083 0.5210152 -0.0378083), wk = 0.0036630 k( 178) = ( 0.0189042 0.5105076 -0.0189042), wk = 0.0036630 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 181) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036630 k( 182) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036630 k( 183) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036630 k( 184) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036630 k( 185) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036630 k( 186) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036630 k( 187) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036630 k( 188) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036630 k( 189) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036630 k( 190) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036630 k( 191) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036630 k( 192) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036630 k( 193) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036630 k( 194) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036630 k( 195) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036630 k( 196) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036630 k( 197) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036630 k( 198) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036630 k( 199) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036630 k( 200) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036630 k( 201) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036630 k( 202) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036630 k( 203) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036630 k( 204) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036630 k( 205) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036630 k( 206) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036630 k( 207) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036630 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 k( 210) = ( 0.2631579 0.2631579 0.2293294), wk = 0.0036630 k( 211) = ( 0.2763158 0.2763158 0.2086588), wk = 0.0036630 k( 212) = ( 0.2894737 0.2894737 0.1879882), wk = 0.0036630 k( 213) = ( 0.3026316 0.3026316 0.1673176), wk = 0.0036630 k( 214) = ( 0.3157895 0.3157895 0.1466470), wk = 0.0036630 k( 215) = ( 0.3289474 0.3289474 0.1259764), wk = 0.0036630 k( 216) = ( 0.3421053 0.3421053 0.1053058), wk = 0.0036630 k( 217) = ( 0.3552632 0.3552632 0.0846352), wk = 0.0036630 k( 218) = ( 0.3684211 0.3684211 0.0639646), wk = 0.0036630 k( 219) = ( 0.3815789 0.3815790 0.0432940), wk = 0.0036630 k( 220) = ( 0.3947368 0.3947368 0.0226234), wk = 0.0036630 k( 221) = ( 0.4078947 0.4078947 0.0019528), wk = 0.0036630 k( 222) = ( 0.4210526 0.4210526 -0.0187179), wk = 0.0036630 k( 223) = ( 0.4342105 0.4342105 -0.0393885), wk = 0.0036630 k( 224) = ( 0.4473684 0.4473684 -0.0600591), wk = 0.0036630 k( 225) = ( 0.4605263 0.4605263 -0.0807297), wk = 0.0036630 k( 226) = ( 0.4736842 0.4736842 -0.1014003), wk = 0.0036630 k( 227) = ( 0.4868421 0.4868421 -0.1220709), wk = 0.0036630 k( 228) = ( 0.5000000 0.5000000 -0.1427415), wk = 0.0036630 k( 229) = ( 0.5000000 0.5000000 -0.1427415), wk = 0.0036630 k( 230) = ( 0.5000000 0.5000000 -0.1555007), wk = 0.0036630 k( 231) = ( 0.5000000 0.5000000 -0.1682599), wk = 0.0036630 k( 232) = ( 0.5000000 0.5000000 -0.1810192), wk = 0.0036630 k( 233) = ( 0.5000000 0.5000000 -0.1937784), wk = 0.0036630 k( 234) = ( 0.5000000 0.5000000 -0.2065376), wk = 0.0036630 k( 235) = ( 0.5000000 0.5000000 -0.2192969), wk = 0.0036630 k( 236) = ( 0.5000000 0.5000000 -0.2320561), wk = 0.0036630 k( 237) = ( 0.5000000 0.5000000 -0.2448153), wk = 0.0036630 k( 238) = ( 0.5000000 0.5000000 -0.2575746), wk = 0.0036630 k( 239) = ( 0.5000000 0.5000000 -0.2703338), wk = 0.0036630 k( 240) = ( 0.5000000 0.5000000 -0.2830930), wk = 0.0036630 k( 241) = ( 0.5000000 0.5000000 -0.2958523), wk = 0.0036630 k( 242) = ( 0.5000000 0.5000000 -0.3086115), wk = 0.0036630 k( 243) = ( 0.5000000 0.5000000 -0.3213707), wk = 0.0036630 k( 244) = ( 0.5000000 0.5000000 -0.3341300), wk = 0.0036630 k( 245) = ( 0.5000000 0.5000000 -0.3468892), wk = 0.0036630 k( 246) = ( 0.5000000 0.5000000 -0.3596484), wk = 0.0036630 k( 247) = ( 0.5000000 0.5000000 -0.3724077), wk = 0.0036630 k( 248) = ( 0.5000000 0.5000000 -0.3851669), wk = 0.0036630 k( 249) = ( 0.5000000 0.5000000 -0.3979261), wk = 0.0036630 k( 250) = ( 0.5000000 0.5000000 -0.4106854), wk = 0.0036630 k( 251) = ( 0.5000000 0.5000000 -0.4234446), wk = 0.0036630 k( 252) = ( 0.5000000 0.5000000 -0.4362038), wk = 0.0036630 k( 253) = ( 0.5000000 0.5000000 -0.4489631), wk = 0.0036630 k( 254) = ( 0.5000000 0.5000000 -0.4617223), wk = 0.0036630 k( 255) = ( 0.5000000 0.5000000 -0.4744815), wk = 0.0036630 k( 256) = ( 0.5000000 0.5000000 -0.4872408), wk = 0.0036630 k( 257) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 258) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 259) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036630 k( 260) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036630 k( 261) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036630 k( 262) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036630 k( 263) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036630 k( 264) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036630 k( 265) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036630 k( 266) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036630 k( 267) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036630 k( 268) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036630 k( 269) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036630 k( 270) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036630 k( 271) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036630 k( 272) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036630 k( 273) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 Dense grid: 94623 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 55009 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 196, 86) NL pseudopotentials 0.41 Mb ( 98, 272) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1314) G-vector shells 0.00 Mb ( 624) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.03 Mb ( 196, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.71 Mb ( 272, 2, 86) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnAg2SnS4.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.7 secs Computing kpt #: 3 total cpu time spent up to now is 9.4 secs Computing kpt #: 4 total cpu time spent up to now is 11.1 secs Computing kpt #: 5 total cpu time spent up to now is 12.6 secs Computing kpt #: 6 total cpu time spent up to now is 14.3 secs Computing kpt #: 7 total cpu time spent up to now is 15.8 secs Computing kpt #: 8 total cpu time spent up to now is 17.5 secs Computing kpt #: 9 total cpu time spent up to now is 19.2 secs Computing kpt #: 10 total cpu time spent up to now is 21.0 secs Computing kpt #: 11 total cpu time spent up to now is 22.7 secs Computing kpt #: 12 total cpu time spent up to now is 24.4 secs Computing kpt #: 13 total cpu time spent up to now is 26.2 secs Computing kpt #: 14 total cpu time spent up to now is 28.0 secs Computing kpt #: 15 total cpu time spent up to now is 29.7 secs Computing kpt #: 16 total cpu time spent up to now is 31.5 secs Computing kpt #: 17 total cpu time spent up to now is 33.3 secs Computing kpt #: 18 total cpu time spent up to now is 35.0 secs Computing kpt #: 19 total cpu time spent up to now is 36.7 secs Computing kpt #: 20 total cpu time spent up to now is 38.5 secs Computing kpt #: 21 total cpu time spent up to now is 40.0 secs Computing kpt #: 22 total cpu time spent up to now is 41.6 secs Computing kpt #: 23 total cpu time spent up to now is 43.1 secs Computing kpt #: 24 total cpu time spent up to now is 44.6 secs Computing kpt #: 25 total cpu time spent up to now is 46.1 secs Computing kpt #: 26 total cpu time spent up to now is 47.6 secs Computing kpt #: 27 total cpu time spent up to now is 49.1 secs Computing kpt #: 28 total cpu time spent up to now is 50.6 secs Computing kpt #: 29 total cpu time spent up to now is 52.0 secs Computing kpt #: 30 total cpu time spent up to now is 53.5 secs Computing kpt #: 31 total cpu time spent up to now is 55.0 secs Computing kpt #: 32 total cpu time spent up to now is 56.5 secs Computing kpt #: 33 total cpu time spent up to now is 58.0 secs Computing kpt #: 34 total cpu time spent up to now is 59.5 secs Computing kpt #: 35 total cpu time spent up to now is 61.0 secs Computing kpt #: 36 total cpu time spent up to now is 62.5 secs Computing kpt #: 37 total cpu time spent up to now is 64.0 secs Computing kpt #: 38 total cpu time spent up to now is 65.5 secs Computing kpt #: 39 total cpu time spent up to now is 67.0 secs Computing kpt #: 40 total cpu time spent up to now is 68.5 secs Computing kpt #: 41 total cpu time spent up to now is 70.0 secs Computing kpt #: 42 total cpu time spent up to now is 71.5 secs Computing kpt #: 43 total cpu time spent up to now is 73.1 secs Computing kpt #: 44 total cpu time spent up to now is 74.5 secs Computing kpt #: 45 total cpu time spent up to now is 76.0 secs Computing kpt #: 46 total cpu time spent up to now is 77.5 secs Computing kpt #: 47 total cpu time spent up to now is 79.0 secs Computing kpt #: 48 total cpu time spent up to now is 80.6 secs Computing kpt #: 49 total cpu time spent up to now is 82.1 secs Computing kpt #: 50 total cpu time spent up to now is 83.9 secs Computing kpt #: 51 total cpu time spent up to now is 85.6 secs Computing kpt #: 52 total cpu time spent up to now is 87.4 secs Computing kpt #: 53 total cpu time spent up to now is 89.2 secs Computing kpt #: 54 total cpu time spent up to now is 91.0 secs Computing kpt #: 55 total cpu time spent up to now is 92.7 secs Computing kpt #: 56 total cpu time spent up to now is 94.6 secs Computing kpt #: 57 total cpu time spent up to now is 96.4 secs Computing kpt #: 58 total cpu time spent up to now is 98.3 secs Computing kpt #: 59 total cpu time spent up to now is 100.1 secs Computing kpt #: 60 total cpu time spent up to now is 101.9 secs Computing kpt #: 61 total cpu time spent up to now is 103.6 secs Computing kpt #: 62 total cpu time spent up to now is 105.4 secs Computing kpt #: 63 total cpu time spent up to now is 107.2 secs Computing kpt #: 64 total cpu time spent up to now is 108.9 secs Computing kpt #: 65 total cpu time spent up to now is 110.4 secs Computing kpt #: 66 total cpu time spent up to now is 112.2 secs Computing kpt #: 67 total cpu time spent up to now is 113.9 secs Computing kpt #: 68 total cpu time spent up to now is 115.8 secs Computing kpt #: 69 total cpu time spent up to now is 117.5 secs Computing kpt #: 70 total cpu time spent up to now is 119.3 secs Computing kpt #: 71 total cpu time spent up to now is 121.0 secs Computing kpt #: 72 total cpu time spent up to now is 122.8 secs Computing kpt #: 73 total cpu time spent up to now is 124.6 secs Computing kpt #: 74 total cpu time spent up to now is 126.4 secs Computing kpt #: 75 total cpu time spent up to now is 128.1 secs Computing kpt #: 76 total cpu time spent up to now is 129.9 secs Computing kpt #: 77 total cpu time spent up to now is 131.4 secs Computing kpt #: 78 total cpu time spent up to now is 133.0 secs Computing kpt #: 79 total cpu time spent up to now is 134.6 secs Computing kpt #: 80 total cpu time spent up to now is 136.2 secs Computing kpt #: 81 total cpu time spent up to now is 137.7 secs Computing kpt #: 82 total cpu time spent up to now is 139.2 secs Computing kpt #: 83 total cpu time spent up to now is 140.8 secs Computing kpt #: 84 total cpu time spent up to now is 142.3 secs Computing kpt #: 85 total cpu time spent up to now is 143.8 secs Computing kpt #: 86 total cpu time spent up to now is 145.4 secs Computing kpt #: 87 total cpu time spent up to now is 147.1 secs Computing kpt #: 88 total cpu time spent up to now is 148.9 secs Computing kpt #: 89 total cpu time spent up to now is 150.7 secs Computing kpt #: 90 total cpu time spent up to now is 152.5 secs Computing kpt #: 91 total cpu time spent up to now is 154.2 secs Computing kpt #: 92 total cpu time spent up to now is 156.0 secs Computing kpt #: 93 total cpu time spent up to now is 157.8 secs Computing kpt #: 94 total cpu time spent up to now is 159.6 secs Computing kpt #: 95 total cpu time spent up to now is 161.3 secs Computing kpt #: 96 total cpu time spent up to now is 163.1 secs Computing kpt #: 97 total cpu time spent up to now is 164.9 secs Computing kpt #: 98 total cpu time spent up to now is 166.6 secs Computing kpt #: 99 total cpu time spent up to now is 168.3 secs Computing kpt #: 100 total cpu time spent up to now is 170.0 secs Computing kpt #: 101 total cpu time spent up to now is 171.8 secs Computing kpt #: 102 total cpu time spent up to now is 173.5 secs Computing kpt #: 103 total cpu time spent up to now is 175.2 secs Computing kpt #: 104 total cpu time spent up to now is 176.9 secs Computing kpt #: 105 total cpu time spent up to now is 178.6 secs Computing kpt #: 106 total cpu time spent up to now is 180.1 secs Computing kpt #: 107 total cpu time spent up to now is 181.8 secs Computing kpt #: 108 total cpu time spent up to now is 183.3 secs Computing kpt #: 109 total cpu time spent up to now is 185.0 secs Computing kpt #: 110 total cpu time spent up to now is 186.7 secs Computing kpt #: 111 total cpu time spent up to now is 188.4 secs Computing kpt #: 112 total cpu time spent up to now is 190.0 secs Computing kpt #: 113 total cpu time spent up to now is 191.7 secs Computing kpt #: 114 total cpu time spent up to now is 193.4 secs Computing kpt #: 115 total cpu time spent up to now is 195.0 secs Computing kpt #: 116 total cpu time spent up to now is 196.7 secs Computing kpt #: 117 total cpu time spent up to now is 198.2 secs Computing kpt #: 118 total cpu time spent up to now is 199.8 secs Computing kpt #: 119 total cpu time spent up to now is 201.3 secs Computing kpt #: 120 total cpu time spent up to now is 203.0 secs Computing kpt #: 121 total cpu time spent up to now is 204.7 secs Computing kpt #: 122 total cpu time spent up to now is 206.2 secs Computing kpt #: 123 total cpu time spent up to now is 207.8 secs Computing kpt #: 124 total cpu time spent up to now is 209.3 secs Computing kpt #: 125 total cpu time spent up to now is 210.8 secs Computing kpt #: 126 total cpu time spent up to now is 212.4 secs Computing kpt #: 127 total cpu time spent up to now is 213.9 secs Computing kpt #: 128 total cpu time spent up to now is 215.4 secs Computing kpt #: 129 total cpu time spent up to now is 216.8 secs Computing kpt #: 130 total cpu time spent up to now is 218.5 secs Computing kpt #: 131 total cpu time spent up to now is 219.9 secs Computing kpt #: 132 total cpu time spent up to now is 221.4 secs Computing kpt #: 133 total cpu time spent up to now is 222.8 secs Computing kpt #: 134 total cpu time spent up to now is 224.2 secs Computing kpt #: 135 total cpu time spent up to now is 225.7 secs Computing kpt #: 136 total cpu time spent up to now is 227.1 secs Computing kpt #: 137 total cpu time spent up to now is 228.5 secs Computing kpt #: 138 total cpu time spent up to now is 230.0 secs Computing kpt #: 139 total cpu time spent up to now is 231.4 secs Computing kpt #: 140 total cpu time spent up to now is 232.8 secs Computing kpt #: 141 total cpu time spent up to now is 234.2 secs Computing kpt #: 142 total cpu time spent up to now is 235.7 secs Computing kpt #: 143 total cpu time spent up to now is 237.1 secs Computing kpt #: 144 total cpu time spent up to now is 238.5 secs Computing kpt #: 145 total cpu time spent up to now is 240.0 secs Computing kpt #: 146 total cpu time spent up to now is 241.4 secs Computing kpt #: 147 total cpu time spent up to now is 242.8 secs Computing kpt #: 148 total cpu time spent up to now is 244.3 secs Computing kpt #: 149 total cpu time spent up to now is 246.1 secs Computing kpt #: 150 total cpu time spent up to now is 247.6 secs Computing kpt #: 151 total cpu time spent up to now is 249.2 secs Computing kpt #: 152 total cpu time spent up to now is 250.6 secs Computing kpt #: 153 total cpu time spent up to now is 252.2 secs Computing kpt #: 154 total cpu time spent up to now is 253.7 secs Computing kpt #: 155 total cpu time spent up to now is 255.3 secs Computing kpt #: 156 total cpu time spent up to now is 257.1 secs Computing kpt #: 157 total cpu time spent up to now is 258.8 secs Computing kpt #: 158 total cpu time spent up to now is 260.6 secs Computing kpt #: 159 total cpu time spent up to now is 262.4 secs Computing kpt #: 160 total cpu time spent up to now is 264.1 secs Computing kpt #: 161 total cpu time spent up to now is 265.9 secs Computing kpt #: 162 total cpu time spent up to now is 267.6 secs Computing kpt #: 163 total cpu time spent up to now is 269.4 secs Computing kpt #: 164 total cpu time spent up to now is 271.2 secs Computing kpt #: 165 total cpu time spent up to now is 272.7 secs Computing kpt #: 166 total cpu time spent up to now is 274.3 secs Computing kpt #: 167 total cpu time spent up to now is 275.9 secs Computing kpt #: 168 total cpu time spent up to now is 277.4 secs Computing kpt #: 169 total cpu time spent up to now is 279.0 secs Computing kpt #: 170 total cpu time spent up to now is 280.5 secs Computing kpt #: 171 total cpu time spent up to now is 282.0 secs Computing kpt #: 172 total cpu time spent up to now is 283.6 secs Computing kpt #: 173 total cpu time spent up to now is 285.1 secs Computing kpt #: 174 total cpu time spent up to now is 286.7 secs Computing kpt #: 175 total cpu time spent up to now is 288.3 secs Computing kpt #: 176 total cpu time spent up to now is 289.8 secs Computing kpt #: 177 total cpu time spent up to now is 291.4 secs Computing kpt #: 178 total cpu time spent up to now is 293.0 secs Computing kpt #: 179 total cpu time spent up to now is 294.6 secs Computing kpt #: 180 total cpu time spent up to now is 296.2 secs Computing kpt #: 181 total cpu time spent up to now is 298.1 secs Computing kpt #: 182 total cpu time spent up to now is 299.7 secs Computing kpt #: 183 total cpu time spent up to now is 301.3 secs Computing kpt #: 184 total cpu time spent up to now is 302.8 secs Computing kpt #: 185 total cpu time spent up to now is 304.4 secs Computing kpt #: 186 total cpu time spent up to now is 305.9 secs Computing kpt #: 187 total cpu time spent up to now is 307.4 secs Computing kpt #: 188 total cpu time spent up to now is 309.0 secs Computing kpt #: 189 total cpu time spent up to now is 310.5 secs Computing kpt #: 190 total cpu time spent up to now is 312.0 secs Computing kpt #: 191 total cpu time spent up to now is 313.5 secs Computing kpt #: 192 total cpu time spent up to now is 315.0 secs Computing kpt #: 193 total cpu time spent up to now is 316.4 secs Computing kpt #: 194 total cpu time spent up to now is 318.0 secs Computing kpt #: 195 total cpu time spent up to now is 319.5 secs Computing kpt #: 196 total cpu time spent up to now is 321.0 secs Computing kpt #: 197 total cpu time spent up to now is 322.5 secs Computing kpt #: 198 total cpu time spent up to now is 324.0 secs Computing kpt #: 199 total cpu time spent up to now is 325.5 secs Computing kpt #: 200 total cpu time spent up to now is 327.1 secs Computing kpt #: 201 total cpu time spent up to now is 328.6 secs Computing kpt #: 202 total cpu time spent up to now is 330.1 secs Computing kpt #: 203 total cpu time spent up to now is 331.6 secs Computing kpt #: 204 total cpu time spent up to now is 333.1 secs Computing kpt #: 205 total cpu time spent up to now is 334.6 secs Computing kpt #: 206 total cpu time spent up to now is 336.2 secs Computing kpt #: 207 total cpu time spent up to now is 337.7 secs Computing kpt #: 208 total cpu time spent up to now is 339.1 secs Computing kpt #: 209 total cpu time spent up to now is 340.6 secs Computing kpt #: 210 total cpu time spent up to now is 342.1 secs Computing kpt #: 211 total cpu time spent up to now is 343.6 secs Computing kpt #: 212 total cpu time spent up to now is 345.1 secs Computing kpt #: 213 total cpu time spent up to now is 346.5 secs Computing kpt #: 214 total cpu time spent up to now is 348.0 secs Computing kpt #: 215 total cpu time spent up to now is 349.5 secs Computing kpt #: 216 total cpu time spent up to now is 351.0 secs Computing kpt #: 217 total cpu time spent up to now is 352.5 secs Computing kpt #: 218 total cpu time spent up to now is 354.0 secs Computing kpt #: 219 total cpu time spent up to now is 355.4 secs Computing kpt #: 220 total cpu time spent up to now is 356.9 secs Computing kpt #: 221 total cpu time spent up to now is 358.4 secs Computing kpt #: 222 total cpu time spent up to now is 360.0 secs Computing kpt #: 223 total cpu time spent up to now is 361.5 secs Computing kpt #: 224 total cpu time spent up to now is 363.3 secs Computing kpt #: 225 total cpu time spent up to now is 365.0 secs Computing kpt #: 226 total cpu time spent up to now is 366.8 secs Computing kpt #: 227 total cpu time spent up to now is 368.5 secs Computing kpt #: 228 total cpu time spent up to now is 370.3 secs Computing kpt #: 229 total cpu time spent up to now is 372.1 secs Computing kpt #: 230 total cpu time spent up to now is 373.8 secs Computing kpt #: 231 total cpu time spent up to now is 375.7 secs Computing kpt #: 232 total cpu time spent up to now is 377.5 secs Computing kpt #: 233 total cpu time spent up to now is 379.3 secs Computing kpt #: 234 total cpu time spent up to now is 381.3 secs Computing kpt #: 235 total cpu time spent up to now is 383.0 secs Computing kpt #: 236 total cpu time spent up to now is 384.7 secs Computing kpt #: 237 total cpu time spent up to now is 386.5 secs Computing kpt #: 238 total cpu time spent up to now is 388.1 secs Computing kpt #: 239 total cpu time spent up to now is 389.7 secs Computing kpt #: 240 total cpu time spent up to now is 391.5 secs Computing kpt #: 241 total cpu time spent up to now is 393.2 secs Computing kpt #: 242 total cpu time spent up to now is 395.0 secs Computing kpt #: 243 total cpu time spent up to now is 396.8 secs Computing kpt #: 244 total cpu time spent up to now is 398.6 secs Computing kpt #: 245 total cpu time spent up to now is 400.4 secs Computing kpt #: 246 total cpu time spent up to now is 402.2 secs Computing kpt #: 247 total cpu time spent up to now is 403.7 secs Computing kpt #: 248 total cpu time spent up to now is 405.1 secs Computing kpt #: 249 total cpu time spent up to now is 406.6 secs Computing kpt #: 250 total cpu time spent up to now is 408.1 secs Computing kpt #: 251 total cpu time spent up to now is 409.5 secs Computing kpt #: 252 total cpu time spent up to now is 410.9 secs Computing kpt #: 253 total cpu time spent up to now is 412.4 secs Computing kpt #: 254 total cpu time spent up to now is 413.8 secs Computing kpt #: 255 total cpu time spent up to now is 415.2 secs Computing kpt #: 256 total cpu time spent up to now is 416.6 secs Computing kpt #: 257 total cpu time spent up to now is 418.2 secs Computing kpt #: 258 total cpu time spent up to now is 419.7 secs Computing kpt #: 259 total cpu time spent up to now is 421.2 secs Computing kpt #: 260 total cpu time spent up to now is 422.7 secs Computing kpt #: 261 total cpu time spent up to now is 424.2 secs Computing kpt #: 262 total cpu time spent up to now is 425.7 secs Computing kpt #: 263 total cpu time spent up to now is 427.2 secs Computing kpt #: 264 total cpu time spent up to now is 428.7 secs Computing kpt #: 265 total cpu time spent up to now is 430.1 secs Computing kpt #: 266 total cpu time spent up to now is 431.6 secs Computing kpt #: 267 total cpu time spent up to now is 433.0 secs Computing kpt #: 268 total cpu time spent up to now is 434.5 secs Computing kpt #: 269 total cpu time spent up to now is 435.9 secs Computing kpt #: 270 total cpu time spent up to now is 437.4 secs Computing kpt #: 271 total cpu time spent up to now is 438.8 secs Computing kpt #: 272 total cpu time spent up to now is 440.3 secs Computing kpt #: 273 total cpu time spent up to now is 441.8 secs ethr = 1.39E-08, avg # of iterations = 19.9 total cpu time spent up to now is 441.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6847 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9331 -6.9331 -5.8507 -5.8507 -5.8363 -5.8363 -5.7804 -5.7804 -0.7142 -0.7142 -0.0389 -0.0389 -0.0259 -0.0259 0.2519 0.2519 0.3269 0.3269 0.3626 0.3626 1.4613 1.4613 1.4687 1.4687 1.9260 1.9260 2.0063 2.0063 2.1801 2.1801 2.3659 2.3659 2.4099 2.4099 2.7567 2.7567 2.7625 2.7625 3.3431 3.3431 3.3506 3.3506 3.5911 3.5911 3.6398 3.6398 3.7152 3.7152 3.9356 3.9356 3.9519 3.9519 4.4575 4.4575 4.7904 4.7904 6.6383 6.6383 6.7770 6.7770 6.8386 6.8386 6.8684 6.8684 8.9406 8.9406 9.9041 9.9041 10.6108 10.6108 10.7129 10.7129 10.8428 10.8428 12.2377 12.2377 k = 0.0000 0.0000 0.0213 ( 6813 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9324 -6.9324 -5.8512 -5.8511 -5.8368 -5.8368 -5.7808 -5.7801 -0.7153 -0.7128 -0.0405 -0.0382 -0.0307 -0.0196 0.2500 0.2537 0.3263 0.3277 0.3578 0.3678 1.4595 1.4638 1.4692 1.4700 1.9239 1.9276 1.9988 2.0143 2.1770 2.1827 2.3590 2.3744 2.4027 2.4137 2.7467 2.7592 2.7602 2.7675 3.3181 3.3347 3.3489 3.3807 3.5799 3.5865 3.6307 3.6559 3.7015 3.7291 3.9314 3.9350 3.9486 3.9752 4.4527 4.4671 4.7924 4.7959 6.6062 6.6352 6.7747 6.7763 6.8302 6.8532 6.8745 6.8867 8.9399 8.9474 9.9044 9.9055 10.6098 10.6121 10.7139 10.7143 10.8425 10.8434 12.2387 12.2388 k = 0.0000 0.0000 0.0425 ( 6815 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9304 -6.9304 -5.8526 -5.8523 -5.8381 -5.8380 -5.7812 -5.7799 -0.7159 -0.7110 -0.0439 -0.0380 -0.0334 -0.0127 0.2480 0.2553 0.3257 0.3284 0.3534 0.3730 1.4584 1.4643 1.4728 1.4741 1.9211 1.9288 1.9920 2.0226 2.1731 2.1847 2.3536 2.3842 2.3925 2.4138 2.7305 2.7594 2.7598 2.7693 3.2874 3.3221 3.3486 3.4063 3.5513 3.5772 3.6349 3.6556 3.7035 3.7379 3.9282 3.9342 3.9659 4.0062 4.4525 4.4809 4.8017 4.8086 6.5558 6.5967 6.7684 6.7717 6.8350 6.8538 6.8987 6.9331 8.9453 8.9603 9.9063 9.9083 10.6092 10.6137 10.7173 10.7183 10.8424 10.8442 12.2415 12.2419 k = 0.0000 0.0000 0.0638 ( 6813 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9270 -6.9270 -5.8549 -5.8545 -5.8402 -5.8400 -5.7818 -5.7798 -0.7161 -0.7088 -0.0486 -0.0379 -0.0343 -0.0055 0.2458 0.2567 0.3252 0.3288 0.3496 0.3783 1.4571 1.4629 1.4781 1.4832 1.9176 1.9298 1.9863 2.0308 2.1685 2.1861 2.3498 2.3797 2.3954 2.4102 2.7097 2.7584 2.7590 2.7672 3.2584 3.3065 3.3429 3.4194 3.5162 3.5699 3.6435 3.6442 3.7184 3.7421 3.9285 3.9429 3.9890 4.0438 4.4572 4.4986 4.8181 4.8284 6.4968 6.5395 6.7576 6.7628 6.8367 6.8516 6.9413 6.9871 8.9568 8.9789 9.9095 9.9121 10.6089 10.6157 10.7235 10.7251 10.8427 10.8454 12.2459 12.2466 k = 0.0000 0.0000 0.0851 ( 6809 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9223 -6.9222 -5.8581 -5.8578 -5.8430 -5.8426 -5.7825 -5.7798 -0.7160 -0.7064 -0.0534 -0.0379 -0.0346 0.0019 0.2436 0.2578 0.3249 0.3286 0.3468 0.3835 1.4550 1.4608 1.4867 1.4954 1.9135 1.9307 1.9818 2.0387 2.1632 2.1870 2.3476 2.3649 2.4027 2.4077 2.6850 2.7533 2.7569 2.7645 3.2311 3.2884 3.3319 3.4123 3.4794 3.5683 3.6373 3.6548 3.7341 3.7450 3.9346 3.9550 4.0173 4.0869 4.4664 4.5195 4.8417 4.8549 6.4329 6.4732 6.7426 6.7496 6.8344 6.8481 6.9932 7.0434 8.9742 9.0031 9.9136 9.9164 10.6089 10.6179 10.7327 10.7351 10.8435 10.8472 12.2514 12.2527 k = 0.0000 0.0000 0.1063 ( 6815 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9163 -6.9162 -5.8623 -5.8623 -5.8464 -5.8457 -5.7833 -5.7799 -0.7155 -0.7037 -0.0580 -0.0379 -0.0346 0.0092 0.2415 0.2588 0.3249 0.3274 0.3452 0.3884 1.4522 1.4583 1.4985 1.5106 1.9087 1.9315 1.9784 2.0461 2.1572 2.1873 2.3439 2.3513 2.3913 2.4211 2.6570 2.7409 2.7540 2.7629 3.2049 3.2682 3.3160 3.3862 3.4436 3.5668 3.6455 3.6642 3.7493 3.7508 3.9443 3.9684 4.0511 4.1347 4.4799 4.5433 4.8719 4.8880 6.3652 6.4014 6.7233 6.7319 6.8298 6.8436 7.0490 7.1005 8.9973 9.0324 9.9180 9.9203 10.6092 10.6203 10.7455 10.7488 10.8451 10.8497 12.2576 12.2596 k = 0.0000 0.0000 0.1276 ( 6815 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9090 -6.9088 -5.8679 -5.8676 -5.8502 -5.8491 -5.7842 -5.7802 -0.7147 -0.7009 -0.0621 -0.0380 -0.0345 0.0165 0.2394 0.2596 0.3249 0.3253 0.3449 0.3929 1.4487 1.4553 1.5134 1.5288 1.9036 1.9325 1.9760 2.0529 2.1503 2.1870 2.3276 2.3506 2.3764 2.4354 2.6263 2.7239 2.7492 2.7603 3.1787 3.2464 3.2964 3.3488 3.4114 3.5609 3.6653 3.6700 3.7628 3.7658 3.9555 3.9818 4.0908 4.1865 4.4971 4.5694 4.9086 4.9270 6.2945 6.3255 6.6997 6.7096 6.8236 6.8381 7.1064 7.1576 9.0258 9.0666 9.9217 9.9231 10.6098 10.6230 10.7621 10.7664 10.8481 10.8534 12.2639 12.2668 k = 0.0000 0.0000 0.1489 ( 6811 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9004 -6.9002 -5.8747 -5.8741 -5.8545 -5.8528 -5.7852 -5.7806 -0.7137 -0.6979 -0.0656 -0.0380 -0.0342 0.0236 0.2375 0.2602 0.3226 0.3252 0.3454 0.3969 1.4446 1.4520 1.5314 1.5499 1.8985 1.9336 1.9745 2.0590 2.1428 2.1860 2.3080 2.3538 2.3581 2.4505 2.5936 2.7035 2.7414 2.7551 3.1514 3.2233 3.2737 3.3069 3.3850 3.5533 3.6721 3.6875 3.7818 3.7861 3.9669 3.9943 4.1363 4.2418 4.5176 4.5973 4.9512 4.9716 6.2211 6.2465 6.6718 6.6828 6.8159 6.8316 7.1644 7.2144 9.0595 9.1051 9.9237 9.9238 10.6108 10.6258 10.7828 10.7875 10.8535 10.8588 12.2696 12.2740 k = 0.0000 0.0000 0.1701 ( 6829 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.8905 -6.8903 -5.8825 -5.8816 -5.8590 -5.8569 -5.7865 -5.7812 -0.7125 -0.6950 -0.0687 -0.0382 -0.0340 0.0302 0.2358 0.2607 0.3194 0.3255 0.3463 0.4001 1.4401 1.4484 1.5524 1.5738 1.8938 1.9349 1.9737 2.0643 2.1346 2.1839 2.2877 2.3367 2.3586 2.4660 2.5598 2.6808 2.7296 2.7458 3.1231 3.1992 3.2490 3.2645 3.3657 3.5458 3.6716 3.7059 3.8064 3.8125 3.9781 4.0057 4.1873 4.3002 4.5408 4.6266 4.9992 5.0210 6.1452 6.1646 6.6395 6.6512 6.8071 6.8240 7.2220 7.2701 9.0979 9.1476 9.9215 9.9235 10.6123 10.6288 10.8066 10.8099 10.8645 10.8678 12.2744 12.2806 k = 0.0000 0.0000 0.1914 ( 6839 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.8794 -6.8791 -5.8914 -5.8900 -5.8638 -5.8612 -5.7879 -5.7821 -0.7112 -0.6922 -0.0711 -0.0384 -0.0336 0.0365 0.2343 0.2611 0.3161 0.3260 0.3475 0.4027 1.4353 1.4447 1.5763 1.6006 1.8898 1.9364 1.9732 2.0689 2.1256 2.1799 2.2675 2.3129 2.3645 2.4814 2.5259 2.6568 2.7126 2.7312 3.0953 3.1746 3.2230 3.2250 3.3535 3.5393 3.6702 3.7190 3.8351 3.8447 3.9889 4.0158 4.2438 4.3615 4.5664 4.6571 5.0520 5.0749 6.0671 6.0805 6.6030 6.6151 6.7971 6.8153 7.2786 7.3244 9.1407 9.1935 9.9158 9.9198 10.6143 10.6320 10.8281 10.8297 10.8845 10.8870 12.2781 12.2866 k = 0.0000 0.0000 0.2127 ( 6847 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.8671 -6.8668 -5.9010 -5.8994 -5.8689 -5.8659 -5.7895 -5.7831 -0.7098 -0.6895 -0.0730 -0.0386 -0.0332 0.0422 0.2331 0.2614 0.3128 0.3267 0.3487 0.4043 1.4302 1.4407 1.6030 1.6299 1.8869 1.9382 1.9730 2.0730 2.1157 2.1729 2.2486 2.2870 2.3704 2.4934 2.4959 2.6324 2.6897 2.7104 3.0699 3.1495 3.1908 3.1963 3.3477 3.5339 3.6689 3.7280 3.8665 3.8810 3.9992 4.0246 4.3052 4.4257 4.5939 4.6887 5.1090 5.1324 5.9872 5.9945 6.5623 6.5746 6.7859 6.8056 7.3334 7.3768 9.1874 9.2421 9.9064 9.9123 10.6170 10.6356 10.8398 10.8468 10.9146 10.9232 12.2807 12.2918 k = 0.0000 0.0000 0.2339 ( 6857 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.8536 -6.8533 -5.9115 -5.9096 -5.8743 -5.8710 -5.7914 -5.7845 -0.7084 -0.6870 -0.0744 -0.0388 -0.0328 0.0473 0.2323 0.2617 0.3095 0.3274 0.3500 0.4051 1.4249 1.4365 1.6322 1.6618 1.8852 1.9403 1.9729 2.0764 2.1050 2.1613 2.2326 2.2600 2.3737 2.4651 2.5077 2.6082 2.6610 2.6848 3.0489 3.1239 3.1636 3.1693 3.3470 3.5293 3.6682 3.7345 3.9000 3.9196 4.0090 4.0322 4.3712 4.4923 4.6230 4.7211 5.1695 5.1931 5.9058 5.9069 6.5176 6.5298 6.7736 6.7948 7.3860 7.4266 9.2374 9.2926 9.8934 9.9006 10.6204 10.6394 10.8482 10.8583 10.9576 10.9699 12.2825 12.2966 k = 0.0000 0.0000 0.2552 ( 6859 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.8391 -6.8386 -5.9225 -5.9204 -5.8799 -5.8763 -5.7936 -5.7861 -0.7070 -0.6849 -0.0752 -0.0390 -0.0324 0.0516 0.2318 0.2619 0.3062 0.3282 0.3512 0.4049 1.4193 1.4321 1.6639 1.6957 1.8852 1.9427 1.9727 2.0793 2.0930 2.1440 2.2206 2.2325 2.3695 2.4458 2.5126 2.5842 2.6277 2.6593 3.0328 3.0985 3.1426 3.1437 3.3501 3.5255 3.6686 3.7397 3.9352 3.9593 4.0186 4.0386 4.4414 4.5611 4.6534 4.7545 5.2329 5.2562 5.8182 5.8232 6.4691 6.4810 6.7603 6.7828 7.4358 7.4733 9.2897 9.3436 9.8778 9.8852 10.6247 10.6438 10.8556 10.8674 11.0099 11.0243 12.2842 12.3015 k = 0.0000 0.0000 0.2765 ( 6867 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.8234 -6.8229 -5.9342 -5.9318 -5.8857 -5.8819 -5.7961 -5.7881 -0.7058 -0.6831 -0.0755 -0.0393 -0.0319 0.0551 0.2317 0.2621 0.3031 0.3291 0.3523 0.4037 1.4135 1.4273 1.6976 1.7314 1.8869 1.9451 1.9720 2.0795 2.0808 2.1225 2.2057 2.2116 2.3541 2.4381 2.5043 2.5589 2.5930 2.6437 3.0211 3.0736 3.1165 3.1302 3.3560 3.5224 3.6703 3.7443 3.9716 3.9995 4.0282 4.0440 4.5154 4.6316 4.6849 4.7891 5.2985 5.3213 5.7286 5.7397 6.4171 6.4285 6.7459 6.7698 7.4822 7.5165 9.3429 9.3929 9.8613 9.8670 10.6300 10.6486 10.8627 10.8756 11.0690 11.0845 12.2864 12.3072 k = 0.0000 0.0000 0.2977 ( 6859 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.8068 -6.8062 -5.9462 -5.9437 -5.8918 -5.8877 -5.7990 -5.7905 -0.7048 -0.6817 -0.0754 -0.0397 -0.0314 0.0578 0.2318 0.2624 0.3000 0.3300 0.3533 0.4016 1.4074 1.4221 1.7330 1.7681 1.8907 1.9475 1.9706 2.0642 2.0769 2.1019 2.1810 2.2042 2.3324 2.4342 2.4786 2.5328 2.5625 2.6442 3.0128 3.0497 3.0912 3.1220 3.3640 3.5196 3.6736 3.7490 4.0088 4.0334 4.0441 4.0486 4.5927 4.7026 4.7173 4.8258 5.3658 5.3878 5.6385 5.6557 6.3619 6.3726 6.7305 6.7557 7.5247 7.5558 9.3946 9.4370 9.8477 9.8484 10.6363 10.6540 10.8696 10.8831 11.1334 11.1492 12.2901 12.3146 k = 0.0000 0.0000 0.3190 ( 6875 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.7892 -6.7886 -5.9586 -5.9559 -5.8980 -5.8937 -5.8022 -5.7933 -0.7040 -0.6809 -0.0750 -0.0401 -0.0309 0.0594 0.2322 0.2627 0.2971 0.3309 0.3541 0.3985 1.4009 1.4164 1.7696 1.8044 1.8968 1.9494 1.9678 2.0470 2.0568 2.0942 2.1598 2.1968 2.3100 2.4231 2.4394 2.5091 2.5448 2.6560 3.0064 3.0269 3.0672 3.1179 3.3731 3.5170 3.6788 3.7542 4.0443 4.0445 4.0549 4.0830 4.6727 4.7506 4.7712 4.8672 5.4341 5.4550 5.5482 5.5713 6.3039 6.3137 6.7141 6.7405 7.5630 7.5906 9.4405 9.4699 9.8334 9.8427 10.6435 10.6600 10.8761 10.8900 11.2016 11.2169 12.2960 12.3244 k = 0.0000 0.0000 0.3403 ( 6879 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.7708 -6.7700 -5.9711 -5.9683 -5.9043 -5.8999 -5.8059 -5.7966 -0.7035 -0.6805 -0.0743 -0.0405 -0.0304 0.0602 0.2329 0.2630 0.2945 0.3318 0.3548 0.3946 1.3939 1.4100 1.8066 1.8380 1.9059 1.9505 1.9633 2.0274 2.0289 2.0928 2.1430 2.1884 2.2900 2.3945 2.4015 2.4877 2.5435 2.6737 3.0004 3.0053 3.0453 3.1168 3.3828 3.5145 3.6861 3.7602 4.0533 4.0535 4.0876 4.1240 4.7533 4.7864 4.8317 4.9185 5.4572 5.4858 5.5044 5.5234 6.2434 6.2523 6.6967 6.7243 7.5968 7.6207 9.4739 9.4849 9.8288 9.8533 10.6518 10.6664 10.8819 10.8959 11.2720 11.2861 12.3049 12.3376 k = 0.0000 0.0000 0.3615 ( 6867 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.7515 -6.7506 -5.9838 -5.9809 -5.9108 -5.9063 -5.8100 -5.8004 -0.7033 -0.6807 -0.0733 -0.0410 -0.0298 0.0600 0.2339 0.2633 0.2921 0.3327 0.3554 0.3900 1.3863 1.4028 1.8425 1.8637 1.9185 1.9506 1.9573 1.9959 2.0121 2.0908 2.1316 2.1785 2.2738 2.3502 2.3766 2.4679 2.5536 2.6945 2.9852 2.9922 3.0278 3.1178 3.3925 3.5119 3.6955 3.7673 4.0559 4.0626 4.1268 4.1653 4.8111 4.8475 4.8798 4.9839 5.3675 5.4028 5.5725 5.5909 6.1808 6.1889 6.6785 6.7071 7.6256 7.6459 9.4785 9.4871 9.8424 9.8833 10.6610 10.6732 10.8866 10.9006 11.3429 11.3552 12.3171 12.3372 k = 0.0000 0.0000 0.3828 ( 6867 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7107 -14.7106 -6.7315 -6.7305 -5.9965 -5.9934 -5.9173 -5.9127 -5.8147 -5.8047 -0.7034 -0.6815 -0.0721 -0.0415 -0.0293 0.0588 0.2350 0.2637 0.2899 0.3335 0.3559 0.3848 1.3780 1.3947 1.8732 1.8742 1.9321 1.9485 1.9540 1.9668 1.9995 2.0868 2.1264 2.1668 2.2620 2.3111 2.3560 2.4493 2.5697 2.7168 2.9664 2.9790 3.0168 3.1201 3.4017 3.5091 3.7071 3.7755 4.0580 4.0719 4.1667 4.2064 4.8466 4.9188 4.9328 5.0596 5.2783 5.3194 5.6412 5.6581 6.1167 6.1238 6.6594 6.6889 7.6491 7.6657 9.4530 9.4772 9.8773 9.9307 10.6709 10.6801 10.8898 10.9036 11.4126 11.4225 12.2690 12.2877 k = 0.0000 0.0000 0.4041 ( 6863 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.7108 -6.7097 -6.0091 -6.0059 -5.9238 -5.9192 -5.8199 -5.8096 -0.7039 -0.6827 -0.0709 -0.0422 -0.0287 0.0568 0.2363 0.2641 0.2881 0.3341 0.3563 0.3792 1.3689 1.3855 1.8666 1.8869 1.9297 1.9382 1.9561 1.9653 1.9956 2.0807 2.1281 2.1540 2.2547 2.2819 2.3442 2.4318 2.5887 2.7400 2.9493 2.9620 3.0115 3.1230 3.4101 3.5062 3.7206 3.7848 4.0602 4.0819 4.2069 4.2474 4.8799 4.9531 5.0215 5.1407 5.1902 5.2370 5.7092 5.7245 6.0516 6.0578 6.6394 6.6697 7.6671 7.6801 9.4141 9.4485 9.9295 9.9903 10.6810 10.6866 10.8911 10.9046 11.4795 11.4866 12.1973 12.2114 k = 0.0000 0.0000 0.4253 ( 6855 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.6896 -6.6884 -6.0214 -6.0181 -5.9304 -5.9257 -5.8256 -5.8151 -0.7048 -0.6845 -0.0696 -0.0429 -0.0281 0.0539 0.2376 0.2646 0.2866 0.3346 0.3567 0.3734 1.3588 1.3753 1.8464 1.8727 1.9067 1.9304 1.9618 1.9879 2.0000 2.0746 2.1364 2.1405 2.2516 2.2676 2.3424 2.4154 2.6094 2.7632 2.9342 2.9441 3.0091 3.1262 3.4174 3.5029 3.7354 3.7949 4.0630 4.0929 4.2472 4.2881 4.9121 4.9847 5.0959 5.1194 5.1552 5.2252 5.7761 5.7894 5.9861 5.9914 6.6188 6.6498 7.6791 7.6886 9.3667 9.4076 9.9927 10.0578 10.6907 10.6921 10.8903 10.9034 11.5423 11.5464 12.1276 12.1374 k = 0.0000 0.0000 0.4466 ( 6871 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.6679 -6.6666 -6.0334 -6.0301 -5.9368 -5.9322 -5.8320 -5.8213 -0.7061 -0.6868 -0.0684 -0.0437 -0.0276 0.0503 0.2389 0.2650 0.2855 0.3346 0.3569 0.3677 1.3475 1.3637 1.8203 1.8436 1.8835 1.9092 1.9725 2.0036 2.0157 2.0718 2.1274 2.1478 2.2519 2.2723 2.3502 2.3999 2.6304 2.7854 2.9212 2.9269 3.0086 3.1293 3.4236 3.4992 3.7506 3.8053 4.0673 4.1055 4.2875 4.3282 4.9422 5.0143 5.0176 5.0752 5.2053 5.3108 5.8412 5.8513 5.9220 5.9253 6.5975 6.6290 7.6849 7.6910 9.3142 9.3593 10.0623 10.1303 10.6954 10.6988 10.8876 10.9003 11.5998 11.6011 12.0622 12.0683 k = 0.0000 0.0000 0.4678 ( 6871 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.6458 -6.6444 -6.0450 -6.0415 -5.9432 -5.9386 -5.8391 -5.8282 -0.7077 -0.6895 -0.0673 -0.0446 -0.0271 0.0462 0.2402 0.2655 0.2847 0.3340 0.3571 0.3625 1.3351 1.3510 1.7919 1.8112 1.8564 1.8809 1.9842 2.0042 2.0361 2.0781 2.1156 2.1602 2.2554 2.2949 2.3661 2.3854 2.6512 2.8054 2.9111 2.9118 3.0099 3.1319 3.4285 3.4953 3.7648 3.8154 4.0742 4.1204 4.3276 4.3675 4.9263 4.9805 4.9964 5.0424 5.2975 5.3976 5.8508 5.8584 5.9061 5.9190 6.5758 6.6077 7.6840 7.6872 9.2593 9.3072 10.1352 10.2061 10.6948 10.7038 10.8838 10.8964 11.6504 11.6514 12.0027 12.0057 k = 0.0000 0.0000 0.4891 ( 6881 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.6236 -6.6220 -6.0559 -6.0525 -5.9494 -5.9449 -5.8468 -5.8357 -0.7096 -0.6927 -0.0664 -0.0456 -0.0266 0.0416 0.2413 0.2659 0.2843 0.3325 0.3573 0.3581 1.3215 1.3369 1.7629 1.7787 1.8268 1.8490 1.9939 2.0037 2.0427 2.0912 2.1112 2.1750 2.2624 2.3298 2.3718 2.3883 2.6707 2.8206 2.9004 2.9045 3.0137 3.1339 3.4323 3.4911 3.7765 3.8243 4.0849 4.1380 4.3674 4.4056 4.8475 4.9197 5.0075 5.0684 5.3902 5.4848 5.7884 5.7951 5.9669 5.9767 6.5537 6.5858 7.6762 7.6768 9.2038 9.2535 10.2093 10.2839 10.6881 10.7030 10.8803 10.8938 11.6942 11.6969 11.9504 11.9508 k = 0.0000 0.0000 0.5104 ( 6869 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.6012 -6.5995 -6.0662 -6.0627 -5.9555 -5.9511 -5.8551 -5.8441 -0.7119 -0.6962 -0.0656 -0.0468 -0.0260 0.0367 0.2425 0.2664 0.2842 0.3298 0.3550 0.3575 1.3066 1.3217 1.7341 1.7469 1.7964 1.8161 1.9961 2.0083 2.0429 2.0876 2.1280 2.1940 2.2741 2.3592 2.3714 2.4154 2.6879 2.8278 2.8950 2.9022 3.0211 3.1352 3.4351 3.4868 3.7840 3.8312 4.1006 4.1591 4.4068 4.4417 4.7695 4.8449 5.0355 5.0927 5.4829 5.5715 5.7264 5.7337 6.0258 6.0335 6.5313 6.5635 7.6597 7.6613 9.1494 9.2001 10.2826 10.3629 10.6729 10.6942 10.8790 10.8952 11.7325 11.7356 11.9050 11.9060 k = 0.0000 0.0000 0.5316 ( 6879 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.5789 -6.5771 -6.0757 -6.0721 -5.9613 -5.9571 -5.8642 -5.8531 -0.7144 -0.7000 -0.0652 -0.0481 -0.0254 0.0315 0.2435 0.2667 0.2844 0.3260 0.3532 0.3576 1.2906 1.3053 1.7061 1.7165 1.7666 1.7837 1.9933 2.0156 2.0410 2.0799 2.1474 2.2173 2.2912 2.3478 2.4164 2.4458 2.7018 2.8258 2.8955 2.9051 3.0330 3.1356 3.4370 3.4823 3.7859 3.8351 4.1218 4.1840 4.4453 4.4738 4.6965 4.7723 5.0625 5.1151 5.5747 5.6518 5.6667 5.6809 6.0819 6.0877 6.5090 6.5411 7.6358 7.6390 9.0974 9.1483 10.3525 10.4424 10.6479 10.6771 10.8813 10.9023 11.7645 11.7655 11.8708 11.8710 k = 0.0000 0.0000 0.5529 ( 6883 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.5568 -6.5550 -6.0842 -6.0805 -5.9669 -5.9629 -5.8741 -5.8629 -0.7172 -0.7041 -0.0649 -0.0495 -0.0249 0.0264 0.2444 0.2669 0.2848 0.3215 0.3524 0.3577 1.2735 1.2879 1.6792 1.6878 1.7383 1.7530 1.9897 2.0222 2.0375 2.0736 2.1626 2.2440 2.3141 2.3380 2.4626 2.4784 2.7117 2.8181 2.8980 2.9136 3.0503 3.1354 3.4383 3.4779 3.7818 3.8354 4.1486 4.2128 4.4828 4.4952 4.6356 4.7024 5.0878 5.1353 5.6088 5.6169 5.6668 5.7456 6.1349 6.1390 6.4868 6.5187 7.6054 7.6096 9.0490 9.0992 10.4143 10.5216 10.6131 10.6557 10.8874 10.9156 11.7799 11.7858 11.8498 11.8553 k = 0.0000 0.0000 0.5742 ( 6875 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.5352 -6.5332 -6.0917 -6.0878 -5.9722 -5.9684 -5.8846 -5.8735 -0.7201 -0.7083 -0.0649 -0.0510 -0.0242 0.0213 0.2452 0.2671 0.2855 0.3169 0.3522 0.3578 1.2558 1.2697 1.6538 1.6610 1.7122 1.7247 1.9861 2.0278 2.0325 2.0693 2.1735 2.2711 2.3321 2.3418 2.5089 2.5122 2.7177 2.8083 2.8991 2.9276 3.0724 3.1346 3.4390 3.4734 3.7717 3.8316 4.1800 4.2450 4.4849 4.5183 4.6084 4.6363 5.1113 5.1533 5.5562 5.5664 5.7557 5.8284 6.1845 6.1870 6.4651 6.4967 7.5686 7.5733 9.0049 9.0537 10.4562 10.5700 10.6000 10.6429 10.8968 10.9342 11.7741 11.7869 11.8517 11.8628 k = 0.0000 0.0000 0.5954 ( 6881 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.5141 -6.5122 -6.0978 -6.0938 -5.9772 -5.9736 -5.8958 -5.8848 -0.7232 -0.7126 -0.0651 -0.0528 -0.0236 0.0164 0.2460 0.2670 0.2862 0.3124 0.3524 0.3579 1.2377 1.2511 1.6300 1.6362 1.6885 1.6992 1.9827 2.0265 2.0325 2.0667 2.1814 2.2894 2.3383 2.3727 2.5462 2.5540 2.7204 2.7985 2.8978 2.9460 3.0986 3.1335 3.4392 3.4691 3.7561 3.8235 4.2142 4.2792 4.4385 4.5428 4.5836 4.6198 5.1328 5.1689 5.5077 5.5205 5.8427 5.9091 6.2303 6.2313 6.4443 6.4755 7.5263 7.5309 8.9657 9.0122 10.4600 10.5205 10.6582 10.6768 10.9086 10.9571 11.7609 11.7756 11.8681 11.8799 k = 0.0000 0.0000 0.6167 ( 6869 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4940 -6.4919 -6.1026 -6.0984 -5.9819 -5.9785 -5.9077 -5.8968 -0.7263 -0.7170 -0.0655 -0.0546 -0.0229 0.0119 0.2467 0.2667 0.2871 0.3084 0.3528 0.3580 1.2196 1.2324 1.6079 1.6135 1.6674 1.6766 1.9796 2.0201 2.0367 2.0654 2.1872 2.2908 2.3640 2.4054 2.5798 2.5971 2.7209 2.7898 2.8945 2.9671 3.1278 3.1327 3.4391 3.4651 3.7357 3.8111 4.2485 4.3108 4.3860 4.5051 4.5968 4.6442 5.1520 5.1820 5.4644 5.4799 5.9267 5.9866 6.2714 6.2717 6.4251 6.4559 7.4792 7.4834 8.9315 8.9753 10.4296 10.4668 10.6987 10.7510 10.9224 10.9837 11.7487 11.7639 11.8862 11.8977 k = 0.0000 0.0000 0.6380 ( 6865 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4748 -6.4728 -6.1058 -6.1014 -5.9861 -5.9830 -5.9203 -5.9096 -0.7294 -0.7212 -0.0661 -0.0565 -0.0222 0.0077 0.2474 0.2662 0.2879 0.3049 0.3533 0.3581 1.2019 1.2140 1.5877 1.5929 1.6489 1.6568 1.9769 2.0135 2.0403 2.0646 2.1918 2.2851 2.3985 2.4388 2.6119 2.6368 2.7203 2.7835 2.8895 2.9888 3.1334 3.1594 3.4387 3.4612 3.7113 3.7945 4.2775 4.3035 4.3733 4.4571 4.6278 4.6708 5.1690 5.1928 5.4268 5.4451 6.0069 6.0601 6.3061 6.3071 6.4086 6.4393 7.4286 7.4320 8.9024 8.9428 10.3838 10.4108 10.7472 10.8213 10.9380 11.0134 11.7393 11.7545 11.9025 11.9135 k = 0.0000 0.0000 0.6592 ( 6863 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4571 -6.4551 -6.1073 -6.1026 -5.9900 -5.9872 -5.9334 -5.9229 -0.7323 -0.7253 -0.0668 -0.0586 -0.0215 0.0039 0.2481 0.2653 0.2887 0.3019 0.3538 0.3582 1.1851 1.1962 1.5695 1.5743 1.6329 1.6396 1.9747 2.0073 2.0435 2.0641 2.1958 2.2779 2.4356 2.4721 2.6415 2.6707 2.7198 2.7817 2.8832 3.0083 3.1377 3.1925 3.4381 3.4577 3.6835 3.7737 4.2550 4.2888 4.4044 4.4280 4.6585 4.6967 5.1836 5.2016 5.3953 5.4160 6.0824 6.1286 6.3319 6.3334 6.3989 6.4291 7.3760 7.3784 8.8782 8.9147 10.3327 10.3544 10.7944 10.8840 10.9577 11.0458 11.7326 11.7475 11.9164 11.9270 k = 0.0000 0.0000 0.6805 ( 6859 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4409 -6.4390 -6.1069 -6.1019 -5.9935 -5.9909 -5.9471 -5.9368 -0.7352 -0.7292 -0.0676 -0.0606 -0.0208 0.0005 0.2487 0.2642 0.2895 0.2996 0.3544 0.3582 1.1694 1.1796 1.5533 1.5577 1.6193 1.6250 1.9729 2.0013 2.0464 2.0639 2.1994 2.2705 2.4731 2.5045 2.6667 2.6945 2.7213 2.7880 2.8763 3.0222 3.1485 3.2268 3.4374 3.4546 3.6533 3.7491 4.2057 4.2697 4.4305 4.4393 4.6877 4.7210 5.1963 5.2089 5.3698 5.3922 6.1521 6.1914 6.3411 6.3451 6.4039 6.4311 7.3229 7.3244 8.8583 8.8907 10.2811 10.2995 10.8369 10.9297 10.9894 11.0798 11.7283 11.7426 11.9280 11.9383 k = 0.0000 0.0000 0.7018 ( 6871 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4265 -6.4248 -6.1045 -6.0992 -5.9965 -5.9943 -5.9612 -5.9512 -0.7378 -0.7327 -0.0684 -0.0626 -0.0200 -0.0026 0.2493 0.2628 0.2903 0.2978 0.3549 0.3582 1.1553 1.1643 1.5392 1.5431 1.6080 1.6128 1.9715 1.9959 2.0490 2.0636 2.2029 2.2632 2.5098 2.5355 2.6838 2.7057 2.7280 2.8040 2.8697 3.0282 3.1672 3.2617 3.4366 3.4518 3.6211 3.7211 4.1609 4.2319 4.4523 4.4720 4.7148 4.7430 5.2075 5.2156 5.3498 5.3728 6.2146 6.2474 6.3367 6.3424 6.4213 6.4450 7.2713 7.2720 8.8426 8.8706 10.2319 10.2477 10.8736 10.9539 11.0364 11.1142 11.7259 11.7392 11.9378 11.9476 k = 0.0000 0.0000 0.7230 ( 6879 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4141 -6.4126 -6.1001 -6.0945 -5.9991 -5.9972 -5.9756 -5.9660 -0.7400 -0.7359 -0.0692 -0.0645 -0.0193 -0.0052 0.2499 0.2613 0.2909 0.2964 0.3555 0.3582 1.1431 1.1508 1.5273 1.5307 1.5989 1.6027 1.9707 1.9909 2.0513 2.0633 2.2064 2.2562 2.5447 2.5645 2.6910 2.7076 2.7416 2.8231 2.8669 3.0269 3.1931 3.2966 3.4359 3.4496 3.5880 3.6901 4.1223 4.1901 4.4784 4.5005 4.7393 4.7624 5.2183 5.2227 5.3343 5.3565 6.2668 6.2955 6.3311 6.3336 6.4412 6.4632 7.2230 7.2231 8.8304 8.8539 10.1871 10.2005 10.9044 10.9681 11.0856 11.1470 11.7251 11.7370 11.9461 11.9553 k = 0.0000 0.0000 0.7443 ( 6871 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4039 -6.4027 -6.0938 -6.0878 -6.0014 -5.9996 -5.9900 -5.9809 -0.7419 -0.7387 -0.0698 -0.0661 -0.0184 -0.0075 0.2507 0.2599 0.2916 0.2955 0.3560 0.3581 1.1329 1.1392 1.5176 1.5204 1.5916 1.5947 1.9704 1.9865 2.0535 2.0629 2.2101 2.2497 2.5769 2.5908 2.6924 2.7051 2.7575 2.8310 2.8770 3.0204 3.2237 3.3302 3.4357 3.4481 3.5550 3.6568 4.0911 4.1503 4.5030 4.5237 4.7608 4.7788 5.2294 5.2308 5.3218 5.3422 6.2966 6.3202 6.3387 6.3396 6.4597 6.4804 7.1796 7.1802 8.8215 8.8403 10.1484 10.1595 10.9297 10.9779 11.1300 11.1762 11.7254 11.7355 11.9535 11.9618 k = 0.0000 0.0000 0.7656 ( 6863 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3959 -6.3950 -6.0857 -6.0793 -6.0060 -6.0017 -6.0014 -5.9957 -0.7434 -0.7410 -0.0703 -0.0676 -0.0174 -0.0095 0.2515 0.2584 0.2921 0.2948 0.3564 0.3580 1.1250 1.1298 1.5101 1.5122 1.5862 1.5884 1.9706 1.9827 2.0553 2.0623 2.2139 2.2435 2.6051 2.6140 2.6913 2.7007 2.7721 2.8269 2.8985 3.0103 3.2568 3.3596 3.4375 3.4473 3.5242 3.6219 4.0678 4.1151 4.5238 4.5410 4.7787 4.7918 5.2403 5.2414 5.3108 5.3286 6.2990 6.3118 6.3673 6.3693 6.4759 6.4943 7.1437 7.1443 8.8154 8.8296 10.1172 10.1258 10.9499 10.9844 11.1672 11.2000 11.7264 11.7344 11.9601 11.9670 k = 0.0000 0.0000 0.7868 ( 6867 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3901 -6.3895 -6.0760 -6.0695 -6.0189 -6.0107 -6.0034 -6.0027 -0.7443 -0.7428 -0.0705 -0.0688 -0.0165 -0.0112 0.2524 0.2570 0.2926 0.2942 0.3568 0.3579 1.1196 1.1228 1.5048 1.5063 1.5825 1.5840 1.9713 1.9794 2.0570 2.0616 2.2181 2.2377 2.6282 2.6332 2.6891 2.6952 2.7841 2.8192 2.9219 2.9973 3.2906 3.3766 3.4449 3.4474 3.5000 3.5863 4.0532 4.0861 4.5400 4.5522 4.7924 4.8009 5.2510 5.2544 5.3005 5.3151 6.2962 6.3040 6.3917 6.3922 6.4894 6.5036 7.1167 7.1173 8.8120 8.8214 10.0946 10.1005 10.9655 10.9877 11.1958 11.2168 11.7279 11.7334 11.9657 11.9707 k = 0.0000 0.0000 0.8081 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3867 -6.3863 -6.0657 -6.0600 -6.0306 -6.0241 -6.0041 -6.0038 -0.7448 -0.7440 -0.0706 -0.0697 -0.0154 -0.0128 0.2533 0.2556 0.2930 0.2938 0.3571 0.3576 1.1166 1.1182 1.5018 1.5025 1.5804 1.5812 1.9725 1.9765 2.0584 2.0608 2.2224 2.2322 2.6446 2.6469 2.6864 2.6895 2.7940 2.8109 2.9441 2.9819 3.3234 3.3729 3.4488 3.4538 3.4950 3.5508 4.0477 4.0646 4.5511 4.5575 4.8016 4.8058 5.2622 5.2671 5.2909 5.3015 6.2945 6.2983 6.4063 6.4065 6.4999 6.5077 7.1001 7.1004 8.8109 8.8157 10.0814 10.0843 10.9768 10.9877 11.2152 11.2255 11.7295 11.7323 11.9700 11.9726 k = 0.0000 0.0000 0.8294 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7674 -14.7507 -14.7507 -14.7105 -14.7105 -6.3854 -6.3854 -6.0574 -6.0574 -6.0336 -6.0336 -6.0042 -6.0042 -0.7447 -0.7447 -0.0703 -0.0703 -0.0142 -0.0142 0.2544 0.2544 0.2934 0.2934 0.3574 0.3574 1.1161 1.1161 1.5010 1.5010 1.5800 1.5800 1.9742 1.9742 2.0597 2.0597 2.2272 2.2272 2.6517 2.6517 2.6858 2.6858 2.8026 2.8026 2.9642 2.9642 3.3526 3.3526 3.4519 3.4519 3.5179 3.5179 4.0516 4.0516 4.5570 4.5570 4.8061 4.8061 5.2713 5.2713 5.2898 5.2898 6.2952 6.2952 6.4112 6.4112 6.5063 6.5063 7.0946 7.0946 8.8122 8.8122 10.0779 10.0779 10.9841 10.9841 11.2251 11.2251 11.7310 11.7310 11.9724 11.9724 k = 0.0000 0.0000 0.8294 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7674 -14.7507 -14.7507 -14.7105 -14.7105 -6.3854 -6.3854 -6.0574 -6.0574 -6.0336 -6.0336 -6.0042 -6.0042 -0.7447 -0.7447 -0.0703 -0.0703 -0.0142 -0.0142 0.2544 0.2544 0.2934 0.2934 0.3574 0.3574 1.1161 1.1161 1.5010 1.5010 1.5800 1.5800 1.9742 1.9742 2.0597 2.0597 2.2272 2.2272 2.6517 2.6517 2.6858 2.6858 2.8026 2.8026 2.9642 2.9642 3.3526 3.3526 3.4519 3.4519 3.5179 3.5179 4.0516 4.0516 4.5570 4.5570 4.8061 4.8061 5.2713 5.2713 5.2898 5.2898 6.2952 6.2952 6.4112 6.4112 6.5063 6.5063 7.0946 7.0946 8.8122 8.8122 10.0779 10.0779 10.9841 10.9841 11.2251 11.2251 11.7310 11.7310 11.9724 11.9724 k =-0.0130 0.0172 0.8294 ( 6874 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3855 -6.3852 -6.0576 -6.0575 -6.0335 -6.0331 -6.0046 -6.0045 -0.7454 -0.7442 -0.0710 -0.0692 -0.0163 -0.0118 0.2528 0.2563 0.2927 0.2943 0.3566 0.3581 1.1151 1.1180 1.5002 1.5023 1.5778 1.5836 1.9711 1.9769 2.0549 2.0641 2.2218 2.2328 2.6494 2.6546 2.6813 2.6899 2.7944 2.8128 2.9632 2.9673 3.3458 3.3578 3.4425 3.4621 3.5178 3.5188 4.0463 4.0552 4.5556 4.5576 4.7986 4.8076 5.2651 5.2796 5.2890 5.2900 6.2857 6.2973 6.4089 6.4109 6.5008 6.5050 7.0994 7.1002 8.8166 8.8189 10.0781 10.0799 10.9821 10.9839 11.2243 11.2250 11.7174 11.7257 11.9751 11.9790 k =-0.0260 0.0343 0.8294 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3856 -6.3850 -6.0579 -6.0577 -6.0329 -6.0321 -6.0058 -6.0057 -0.7463 -0.7440 -0.0714 -0.0678 -0.0181 -0.0090 0.2515 0.2584 0.2922 0.2953 0.3556 0.3587 1.1151 1.1207 1.4998 1.5040 1.5770 1.5887 1.9675 1.9790 2.0498 2.0682 2.2168 2.2386 2.6478 2.6574 2.6767 2.6937 2.7881 2.8249 2.9642 2.9728 3.3373 3.3620 3.4345 3.4732 3.5187 3.5206 4.0393 4.0571 4.5532 4.5570 4.7855 4.8034 5.2610 5.2862 5.2874 5.2932 6.2690 6.2921 6.4036 6.4076 6.4892 6.4974 7.1142 7.1159 8.8321 8.8365 10.0804 10.0839 10.9779 10.9813 11.2227 11.2241 11.6861 11.7020 11.9869 11.9946 k =-0.0389 0.0515 0.8294 ( 6860 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3856 -6.3847 -6.0583 -6.0581 -6.0317 -6.0305 -6.0077 -6.0075 -0.7474 -0.7440 -0.0713 -0.0660 -0.0197 -0.0059 0.2506 0.2606 0.2923 0.2963 0.3546 0.3592 1.1159 1.1243 1.4999 1.5061 1.5775 1.5952 1.9636 1.9805 2.0445 2.0719 2.2125 2.2444 2.6473 2.6584 2.6740 2.6975 2.7834 2.8385 2.9668 2.9811 3.3269 3.3655 3.4280 3.4847 3.5205 3.5234 4.0306 4.0572 4.5499 4.5553 4.7674 4.7936 5.2591 5.2852 5.2853 5.3052 6.2454 6.2797 6.3949 6.4006 6.4734 6.4851 7.1381 7.1404 8.8582 8.8645 10.0848 10.0900 10.9712 10.9762 11.2203 11.2224 11.6397 11.6618 12.0071 12.0186 k =-0.0519 0.0687 0.8294 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3857 -6.3845 -6.0589 -6.0585 -6.0300 -6.0284 -6.0104 -6.0101 -0.7489 -0.7443 -0.0709 -0.0641 -0.0212 -0.0025 0.2499 0.2628 0.2930 0.2972 0.3532 0.3595 1.1178 1.1287 1.5005 1.5086 1.5794 1.6031 1.9592 1.9814 2.0391 2.0753 2.2090 2.2500 2.6477 2.6548 2.6758 2.7013 2.7801 2.8530 2.9706 2.9921 3.3149 3.3686 3.4225 3.4963 3.5232 3.5273 4.0202 4.0554 4.5457 4.5523 4.7451 4.7788 5.2588 5.2825 5.2828 5.3203 6.2150 6.2603 6.3820 6.3885 6.4562 6.4701 7.1696 7.1724 8.8944 8.9021 10.0911 10.0977 10.9618 10.9680 11.2169 11.2198 11.5814 11.6081 12.0346 12.0496 k =-0.0649 0.0859 0.8294 ( 6866 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3860 -6.3844 -6.0594 -6.0590 -6.0279 -6.0257 -6.0136 -6.0134 -0.7506 -0.7449 -0.0703 -0.0620 -0.0224 0.0014 0.2495 0.2647 0.2947 0.2980 0.3518 0.3598 1.1206 1.1338 1.5016 1.5115 1.5826 1.6125 1.9546 1.9815 2.0337 2.0785 2.2064 2.2555 2.6481 2.6493 2.6810 2.7052 2.7780 2.8680 2.9756 3.0059 3.3021 3.3714 3.4181 3.5080 3.5270 3.5328 4.0080 4.0515 4.5407 4.5478 4.7197 4.7598 5.2590 5.2789 5.2814 5.3372 6.1785 6.2343 6.3640 6.3693 6.4407 6.4547 7.2072 7.2104 8.9396 8.9482 10.0991 10.1067 10.9493 10.9565 11.2124 11.2162 11.5143 11.5441 12.0679 12.0858 k =-0.0779 0.1030 0.8294 ( 6866 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3864 -6.3845 -6.0599 -6.0593 -6.0256 -6.0226 -6.0173 -6.0171 -0.7527 -0.7458 -0.0695 -0.0600 -0.0236 0.0056 0.2494 0.2661 0.2976 0.2987 0.3502 0.3600 1.1243 1.1395 1.5033 1.5147 1.5870 1.6233 1.9496 1.9808 2.0283 2.0815 2.2049 2.2607 2.6401 2.6521 2.6878 2.7093 2.7770 2.8829 2.9813 3.0218 3.2896 3.3740 3.4140 3.5190 3.5318 3.5409 3.9939 4.0454 4.5348 4.5414 4.6927 4.7376 5.2577 5.2745 5.2828 5.3559 6.1362 6.2020 6.3407 6.3433 6.4279 6.4403 7.2495 7.2530 8.9928 9.0015 10.1084 10.1167 10.9333 10.9410 11.2067 11.2114 11.4416 11.4734 12.1045 12.1244 k =-0.0908 0.1202 0.8294 ( 6866 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3871 -6.3849 -6.0602 -6.0594 -6.0253 -6.0226 -6.0188 -6.0183 -0.7552 -0.7471 -0.0686 -0.0581 -0.0246 0.0101 0.2494 0.2669 0.2991 0.3018 0.3484 0.3602 1.1289 1.1459 1.5055 1.5183 1.5928 1.6355 1.9444 1.9794 2.0231 2.0843 2.2047 2.2658 2.6317 2.6561 2.6956 2.7133 2.7772 2.8974 2.9876 3.0387 3.2790 3.3763 3.4101 3.5279 3.5376 3.5530 3.9781 4.0369 4.5281 4.5326 4.6656 4.7130 5.2539 5.2697 5.2880 5.3759 6.0889 6.1640 6.3120 6.3126 6.4172 6.4272 7.2954 7.2992 9.0526 9.0605 10.1185 10.1269 10.9134 10.9210 11.1993 11.2048 11.3661 11.3991 12.1411 12.1620 k =-0.1038 0.1374 0.8294 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3882 -6.3856 -6.0602 -6.0591 -6.0294 -6.0276 -6.0162 -6.0143 -0.7580 -0.7487 -0.0677 -0.0563 -0.0256 0.0150 0.2496 0.2672 0.2994 0.3073 0.3465 0.3603 1.1343 1.1526 1.5083 1.5224 1.5997 1.6490 1.9390 1.9772 2.0182 2.0872 2.2060 2.2706 2.6233 2.6611 2.7043 2.7170 2.7787 2.9114 2.9943 3.0544 3.2725 3.3782 3.4060 3.5348 3.5447 3.5696 3.9604 4.0257 4.5204 4.5209 4.6401 4.6871 5.2482 5.2645 5.2963 5.3971 6.0371 6.1209 6.2773 6.2809 6.4073 6.4152 7.3438 7.3479 9.1175 9.1236 10.1288 10.1365 10.8890 10.8959 11.1892 11.1949 11.2911 11.3255 12.1740 12.1942 k =-0.1168 0.1546 0.8294 ( 6866 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3898 -6.3869 -6.0598 -6.0584 -6.0351 -6.0334 -6.0121 -6.0096 -0.7613 -0.7508 -0.0667 -0.0548 -0.0266 0.0200 0.2500 0.2670 0.2994 0.3138 0.3445 0.3603 1.1404 1.1597 1.5118 1.5269 1.6078 1.6638 1.9334 1.9744 2.0135 2.0903 2.2087 2.2753 2.6153 2.6672 2.7136 2.7202 2.7818 2.9249 3.0011 3.0660 3.2724 3.3794 3.4016 3.5403 3.5530 3.5903 3.9409 4.0117 4.5059 4.5119 4.6176 4.6608 5.2414 5.2590 5.3068 5.4192 5.9815 6.0733 6.2407 6.2468 6.3976 6.4037 7.3940 7.3982 9.1858 9.1888 10.1386 10.1445 10.8599 10.8653 11.1703 11.1756 11.2246 11.2605 12.1996 12.2153 k =-0.1298 0.1717 0.8294 ( 6874 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3919 -6.3888 -6.0587 -6.0571 -6.0414 -6.0397 -6.0073 -6.0045 -0.7650 -0.7534 -0.0658 -0.0536 -0.0276 0.0251 0.2505 0.2666 0.2992 0.3210 0.3423 0.3603 1.1470 1.1669 1.5159 1.5321 1.6169 1.6798 1.9276 1.9709 2.0092 2.0935 2.2131 2.2800 2.6082 2.6740 2.7226 2.7236 2.7868 2.9380 3.0082 3.0712 3.2806 3.3800 3.3969 3.5449 3.5630 3.6150 3.9197 3.9946 4.4881 4.5025 4.5985 4.6348 5.2338 5.2535 5.3190 5.4419 5.9228 6.0217 6.2029 6.2112 6.3878 6.3925 7.4452 7.4495 9.2542 9.2557 10.1467 10.1496 10.8261 10.8289 11.1223 11.1336 11.1884 11.2196 12.2155 12.2193 k =-0.1427 0.1889 0.8294 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7506 -14.7106 -14.7106 -6.3948 -6.3913 -6.0572 -6.0554 -6.0479 -6.0463 -6.0020 -5.9989 -0.7691 -0.7564 -0.0649 -0.0527 -0.0286 0.0302 0.2510 0.2660 0.2988 0.3287 0.3401 0.3603 1.1539 1.1741 1.5207 1.5379 1.6270 1.6967 1.9217 1.9670 2.0052 2.0971 2.2190 2.2847 2.6022 2.6811 2.7246 2.7342 2.7935 2.9505 3.0154 3.0699 3.2964 3.3796 3.3923 3.5488 3.5750 3.6434 3.8971 3.9746 4.4688 4.4922 4.5826 4.6100 5.2259 5.2481 5.3324 5.4650 5.8618 5.9668 6.1647 6.1748 6.3778 6.3812 7.4968 7.5010 9.3176 9.3253 10.1503 10.1521 10.7865 10.7876 11.0584 11.0739 11.1710 11.1991 12.2156 12.2228 k =-0.1427 0.1889 0.8294 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7506 -14.7106 -14.7106 -6.3948 -6.3913 -6.0572 -6.0554 -6.0479 -6.0463 -6.0020 -5.9989 -0.7691 -0.7564 -0.0649 -0.0527 -0.0286 0.0302 0.2510 0.2660 0.2988 0.3287 0.3401 0.3603 1.1539 1.1741 1.5207 1.5379 1.6270 1.6967 1.9217 1.9670 2.0052 2.0971 2.2190 2.2847 2.6022 2.6811 2.7246 2.7342 2.7935 2.9505 3.0154 3.0699 3.2964 3.3796 3.3923 3.5488 3.5750 3.6434 3.8971 3.9746 4.4688 4.4922 4.5826 4.6100 5.2259 5.2481 5.3324 5.4650 5.8618 5.9668 6.1647 6.1748 6.3778 6.3812 7.4968 7.5010 9.3176 9.3253 10.1503 10.1521 10.7865 10.7876 11.0584 11.0739 11.1710 11.1991 12.2156 12.2228 k =-0.1517 0.2007 0.8146 ( 6869 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7506 -14.7106 -14.7106 -6.3974 -6.3937 -6.0583 -6.0563 -6.0518 -6.0504 -5.9967 -5.9922 -0.7721 -0.7587 -0.0643 -0.0522 -0.0293 0.0337 0.2514 0.2656 0.2985 0.3340 0.3388 0.3601 1.1593 1.1794 1.5248 1.5428 1.6348 1.7092 1.9176 1.9642 2.0027 2.0998 2.2238 2.2882 2.5990 2.6853 2.7247 2.7405 2.7985 2.9569 3.0194 3.0674 3.3084 3.3695 3.3998 3.5458 3.5907 3.6654 3.8822 3.9608 4.4546 4.4839 4.5715 4.5935 5.2205 5.2449 5.3412 5.4799 5.8191 5.9277 6.1387 6.1506 6.3646 6.3767 7.5336 7.5378 9.3591 9.3728 10.1482 10.1547 10.7502 10.7560 11.0171 11.0372 11.1604 11.1880 12.2146 12.2261 k =-0.1606 0.2125 0.7997 ( 6871 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4006 -6.3968 -6.0620 -6.0602 -6.0562 -6.0541 -5.9881 -5.9818 -0.7750 -0.7609 -0.0637 -0.0517 -0.0299 0.0370 0.2518 0.2655 0.2981 0.3361 0.3406 0.3600 1.1657 1.1857 1.5297 1.5489 1.6434 1.7226 1.9138 1.9615 2.0003 2.1025 2.2293 2.2923 2.5965 2.6883 2.7230 2.7444 2.8024 2.9586 3.0224 3.0659 3.3118 3.3658 3.4085 3.5417 3.6104 3.6896 3.8694 3.9487 4.4399 4.4740 4.5580 4.5776 5.2157 5.2428 5.3481 5.4924 5.7767 5.8881 6.1139 6.1286 6.3475 6.3714 7.5727 7.5771 9.3988 9.4199 10.1436 10.1558 10.7059 10.7166 10.9840 11.0132 11.1495 11.1766 12.2163 12.2308 k =-0.1695 0.2244 0.7849 ( 6874 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4043 -6.4003 -6.0668 -6.0649 -6.0610 -6.0584 -5.9772 -5.9697 -0.7777 -0.7631 -0.0630 -0.0512 -0.0305 0.0401 0.2520 0.2658 0.2978 0.3348 0.3459 0.3599 1.1732 1.1927 1.5353 1.5559 1.6527 1.7365 1.9101 1.9589 1.9981 2.1052 2.2352 2.2969 2.5950 2.6902 2.7194 2.7463 2.8047 2.9547 3.0262 3.0658 3.3017 3.3758 3.4146 3.5409 3.6300 3.7158 3.8582 3.9380 4.4255 4.4630 4.5416 4.5633 5.2118 5.2423 5.3524 5.5017 5.7348 5.8480 6.0909 6.1090 6.3287 6.3648 7.6136 7.6183 9.4364 9.4658 10.1347 10.1533 10.6573 10.6712 10.9605 10.9998 11.1389 11.1654 12.2206 12.2386 k =-0.1785 0.2362 0.7701 ( 6882 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4083 -6.4042 -6.0721 -6.0699 -6.0658 -6.0634 -5.9650 -5.9568 -0.7803 -0.7652 -0.0624 -0.0506 -0.0309 0.0430 0.2518 0.2668 0.2974 0.3332 0.3510 0.3600 1.1814 1.2004 1.5414 1.5639 1.6627 1.7511 1.9066 1.9564 1.9962 2.1080 2.2416 2.3020 2.5945 2.6908 2.7139 2.7468 2.8054 2.9459 3.0317 3.0670 3.2859 3.3869 3.4219 3.5436 3.6489 3.7439 3.8476 3.9286 4.4115 4.4509 4.5223 4.5519 5.2091 5.2437 5.3537 5.5073 5.6933 5.8074 6.0697 6.0918 6.3090 6.3576 7.6560 7.6610 9.4716 9.5101 10.1194 10.1448 10.6090 10.6242 10.9440 10.9933 11.1301 11.1558 12.2265 12.2503 k =-0.1874 0.2480 0.7553 ( 6882 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4126 -6.4084 -6.0776 -6.0748 -6.0705 -6.0684 -5.9523 -5.9435 -0.7828 -0.7673 -0.0619 -0.0501 -0.0312 0.0457 0.2514 0.2685 0.2969 0.3317 0.3549 0.3613 1.1903 1.2087 1.5480 1.5727 1.6732 1.7660 1.9034 1.9542 1.9946 2.1108 2.2483 2.3079 2.5949 2.6893 2.7073 2.7460 2.8047 2.9338 3.0388 3.0691 3.2691 3.3889 3.4354 3.5483 3.6674 3.7735 3.8368 3.9208 4.3971 4.4377 4.5005 4.5454 5.2077 5.2472 5.3517 5.5087 5.6526 5.7664 6.0503 6.0765 6.2897 6.3506 7.6995 7.7047 9.5042 9.5525 10.0961 10.1282 10.5644 10.5801 10.9304 10.9892 11.1256 11.1508 12.2321 12.2645 k =-0.1963 0.2598 0.7405 ( 6890 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4169 -6.4126 -6.0831 -6.0799 -6.0751 -6.0732 -5.9395 -5.9302 -0.7851 -0.7693 -0.0614 -0.0495 -0.0313 0.0479 0.2506 0.2708 0.2965 0.3301 0.3561 0.3652 1.1997 1.2173 1.5548 1.5819 1.6841 1.7811 1.9005 1.9521 1.9933 2.1136 2.2552 2.3145 2.5962 2.6841 2.7011 2.7439 2.8034 2.9202 3.0469 3.0719 3.2529 3.3835 3.4521 3.5535 3.6861 3.8041 3.8256 3.9151 4.3800 4.4236 4.4780 4.5455 5.2075 5.2528 5.3463 5.5056 5.6130 5.7250 6.0325 6.0628 6.2718 6.3444 7.7436 7.7491 9.5341 9.5929 10.0642 10.1020 10.5257 10.5424 10.9151 10.9822 11.1291 11.1537 12.2355 12.2645 k =-0.2053 0.2716 0.7257 ( 6889 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4212 -6.4169 -6.0884 -6.0850 -6.0796 -6.0776 -5.9268 -5.9172 -0.7872 -0.7712 -0.0610 -0.0490 -0.0311 0.0499 0.2496 0.2736 0.2961 0.3287 0.3558 0.3703 1.2094 1.2261 1.5618 1.5915 1.6952 1.7963 1.8979 1.9504 1.9924 2.1165 2.2624 2.3218 2.5979 2.6743 2.6962 2.7403 2.8027 2.9062 3.0557 3.0755 3.2377 3.3747 3.4675 3.5572 3.7052 3.8116 3.8377 3.9116 4.3582 4.4068 4.4597 4.5528 5.2083 5.2605 5.3376 5.4977 5.5749 5.6832 6.0164 6.0501 6.2563 6.3394 7.7880 7.7936 9.5611 9.6311 10.0246 10.0665 10.4937 10.5122 10.8953 10.9682 11.1433 11.1667 12.2360 12.2604 k =-0.2142 0.2835 0.7109 ( 6891 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4255 -6.4212 -6.0936 -6.0900 -6.0838 -6.0817 -5.9146 -5.9046 -0.7892 -0.7730 -0.0607 -0.0486 -0.0307 0.0516 0.2485 0.2768 0.2957 0.3273 0.3551 0.3755 1.2192 1.2350 1.5688 1.6012 1.7063 1.8112 1.8957 1.9488 1.9920 2.1193 2.2698 2.3298 2.5994 2.6619 2.6912 2.7356 2.8031 2.8927 3.0651 3.0797 3.2241 3.3643 3.4792 3.5583 3.7239 3.8004 3.8697 3.9105 4.3317 4.3831 4.4517 4.5668 5.2092 5.2699 5.3254 5.4850 5.5389 5.6412 6.0017 6.0379 6.2438 6.3359 7.8322 7.8378 9.5851 9.6670 9.9792 10.0237 10.4680 10.4884 10.8696 10.9466 11.1682 11.1898 12.2344 12.2558 k =-0.2231 0.2953 0.6960 ( 6879 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4297 -6.4253 -6.0985 -6.0949 -6.0877 -6.0854 -5.9028 -5.8927 -0.7910 -0.7747 -0.0605 -0.0482 -0.0299 0.0529 0.2474 0.2803 0.2954 0.3260 0.3541 0.3806 1.2290 1.2440 1.5757 1.6108 1.7174 1.8256 1.8939 1.9476 1.9922 2.1219 2.2774 2.3384 2.5992 2.6487 2.6852 2.7304 2.8050 2.8801 3.0747 3.0851 3.2124 3.3532 3.4861 3.5560 3.7382 3.7945 3.8996 3.9136 4.3021 4.3533 4.4542 4.5868 5.2090 5.2803 5.3104 5.4677 5.5059 5.5992 5.9886 6.0259 6.2348 6.3341 7.8758 7.8813 9.6059 9.7007 9.9311 9.9768 10.4474 10.4691 10.8383 10.9189 11.2018 11.2215 12.2314 12.2514 k =-0.2321 0.3071 0.6812 ( 6885 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4336 -6.4293 -6.1030 -6.0996 -6.0913 -6.0889 -5.8918 -5.8814 -0.7927 -0.7763 -0.0604 -0.0480 -0.0289 0.0539 0.2463 0.2838 0.2954 0.3248 0.3529 0.3855 1.2385 1.2527 1.5823 1.6200 1.7283 1.8393 1.8926 1.9467 1.9931 2.1244 2.2854 2.3476 2.5954 2.6360 2.6787 2.7254 2.8081 2.8691 3.0836 3.0921 3.2030 3.3421 3.4876 3.5504 3.7412 3.8007 3.9092 3.9374 4.2714 4.3210 4.4643 4.6118 5.2063 5.2876 5.2962 5.4463 5.4771 5.5575 5.9770 6.0141 6.2291 6.3336 7.9181 7.9234 9.6229 9.7310 9.8838 9.9292 10.4304 10.4526 10.8023 10.8873 11.2415 11.2599 12.2283 12.2483 k =-0.2410 0.3189 0.6664 ( 6879 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4373 -6.4330 -6.1072 -6.1039 -6.0946 -6.0920 -5.8815 -5.8709 -0.7942 -0.7778 -0.0603 -0.0479 -0.0276 0.0546 0.2452 0.2869 0.2960 0.3237 0.3515 0.3902 1.2477 1.2612 1.5887 1.6286 1.7388 1.8518 1.8919 1.9460 1.9949 2.1266 2.2937 2.3573 2.5864 2.6240 2.6734 2.7210 2.8119 2.8599 3.0910 3.1011 3.1964 3.3315 3.4834 3.5418 3.7357 3.8156 3.9120 3.9676 4.2412 4.2898 4.4799 4.6408 5.1991 5.2708 5.3032 5.4215 5.4538 5.5170 5.9669 6.0027 6.2263 6.3344 7.9588 7.9638 9.6348 9.7534 9.8445 9.8851 10.4157 10.4375 10.7627 10.8536 11.2846 11.3031 12.2261 12.2475 k =-0.2499 0.3307 0.6516 ( 6881 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4408 -6.4365 -6.1109 -6.1080 -6.0976 -6.0949 -5.8721 -5.8613 -0.7955 -0.7792 -0.0603 -0.0479 -0.0263 0.0551 0.2442 0.2888 0.2978 0.3227 0.3499 0.3945 1.2563 1.2692 1.5947 1.6364 1.7488 1.8630 1.8916 1.9457 1.9976 2.1284 2.3024 2.3673 2.5732 2.6112 2.6710 2.7172 2.8158 2.8528 3.0973 3.1111 3.1934 3.3218 3.4738 3.5306 3.7287 3.8305 3.9150 3.9958 4.2129 4.2627 4.5000 4.6731 5.1862 5.2491 5.3111 5.3944 5.4365 5.4795 5.9585 5.9919 6.2258 6.3362 7.9972 8.0019 9.6393 9.7497 9.8329 9.8490 10.4022 10.4230 10.7207 10.8192 11.3288 11.3495 12.2261 12.2503 k =-0.2589 0.3426 0.6368 ( 6878 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4439 -6.4396 -6.1143 -6.1116 -6.1003 -6.0974 -5.8636 -5.8527 -0.7966 -0.7804 -0.0602 -0.0480 -0.0248 0.0554 0.2432 0.2895 0.3010 0.3219 0.3481 0.3984 1.2643 1.2767 1.6002 1.6433 1.7581 1.8725 1.8918 1.9456 2.0013 2.1297 2.3114 2.3775 2.5579 2.5964 2.6713 2.7139 2.8192 2.8482 3.1026 3.1211 3.1947 3.3140 3.4598 3.5169 3.7229 3.8402 3.9182 4.0203 4.1879 4.2429 4.5234 4.7078 5.1674 5.2265 5.3131 5.3661 5.4228 5.4504 5.9516 5.9819 6.2268 6.3386 8.0327 8.0372 9.6339 9.7187 9.8253 9.8516 10.3889 10.4087 10.6776 10.7856 11.3721 11.3970 12.2295 12.2580 k =-0.2678 0.3544 0.6220 ( 6874 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4467 -6.4424 -6.1172 -6.1148 -6.1027 -6.0997 -5.8561 -5.8450 -0.7976 -0.7815 -0.0602 -0.0481 -0.0234 0.0555 0.2424 0.2895 0.3049 0.3212 0.3461 0.4019 1.2714 1.2835 1.6052 1.6492 1.7666 1.8801 1.8924 1.9458 2.0059 2.1306 2.3207 2.3880 2.5421 2.5800 2.6730 2.7110 2.8217 2.8460 3.1063 3.1305 3.2007 3.3089 3.4427 3.5010 3.7189 3.8428 3.9214 4.0382 4.1691 4.2322 4.5492 4.7440 5.1438 5.2041 5.3037 5.3373 5.4095 5.4374 5.9462 5.9730 6.2288 6.3413 8.0648 8.0691 9.6187 9.6825 9.8157 9.8790 10.3750 10.3945 10.6350 10.7542 11.4128 11.4434 12.2379 12.2717 k =-0.2767 0.3662 0.6071 ( 6872 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4490 -6.4448 -6.1197 -6.1176 -6.1046 -6.1016 -5.8497 -5.8385 -0.7985 -0.7824 -0.0603 -0.0483 -0.0220 0.0555 0.2417 0.2893 0.3090 0.3206 0.3439 0.4049 1.2776 1.2895 1.6095 1.6541 1.7742 1.8858 1.8935 1.9461 2.0113 2.1310 2.3301 2.3984 2.5268 2.5630 2.6752 2.7084 2.8234 2.8457 3.1084 3.1391 3.2107 3.3075 3.4237 3.4832 3.7166 3.8386 3.9241 4.0457 4.1614 4.2294 4.5763 4.7808 5.1175 5.1829 5.2820 5.3068 5.4033 5.4353 5.9423 5.9651 6.2313 6.3440 8.0928 8.0973 9.5979 9.6484 9.8168 9.9085 10.3601 10.3801 10.5946 10.7261 11.4493 11.4867 12.2524 12.2921 k =-0.2856 0.3780 0.5923 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4510 -6.4468 -6.1217 -6.1199 -6.1063 -6.1031 -5.8444 -5.8331 -0.7991 -0.7832 -0.0603 -0.0484 -0.0208 0.0554 0.2411 0.2891 0.3131 0.3201 0.3414 0.4074 1.2828 1.2945 1.6132 1.6579 1.7806 1.8895 1.8949 1.9465 2.0170 2.1309 2.3394 2.4087 2.5130 2.5460 2.6772 2.7061 2.8247 2.8463 3.1093 3.1464 3.2237 3.3108 3.4037 3.4636 3.7154 3.8297 3.9260 4.0416 4.1671 4.2312 4.6034 4.8168 5.0910 5.1644 5.2535 5.2758 5.4045 5.4373 5.9397 5.9583 6.2339 6.3466 8.1165 8.1211 9.5764 9.6187 9.8239 9.9378 10.3449 10.3652 10.5587 10.7022 11.4803 11.5249 12.2738 12.3188 k =-0.2946 0.3898 0.5775 ( 6873 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4526 -6.4484 -6.1232 -6.1217 -6.1076 -6.1044 -5.8402 -5.8289 -0.7997 -0.7838 -0.0603 -0.0486 -0.0198 0.0552 0.2406 0.2888 0.3169 0.3199 0.3388 0.4094 1.2869 1.2986 1.6161 1.6607 1.7858 1.8919 1.8964 1.9469 2.0225 2.1304 2.3479 2.4185 2.5014 2.5300 2.6789 2.7041 2.8261 2.8470 3.1096 3.1517 3.2384 3.3190 3.3839 3.4429 3.7151 3.8191 3.9274 4.0314 4.1812 4.2342 4.6288 4.8500 5.0674 5.1492 5.2218 5.2487 5.4083 5.4405 5.9383 5.9526 6.2361 6.3487 8.1352 8.1402 9.5576 9.5945 9.8330 9.9653 10.3306 10.3495 10.5294 10.6834 11.5049 11.5561 12.3020 12.3492 k =-0.3035 0.4017 0.5627 ( 6879 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4537 -6.4495 -6.1243 -6.1231 -6.1085 -6.1053 -5.8372 -5.8258 -0.8000 -0.7843 -0.0603 -0.0487 -0.0191 0.0551 0.2402 0.2886 0.3189 0.3214 0.3360 0.4108 1.2899 1.3016 1.6183 1.6626 1.7896 1.8935 1.8974 1.9473 2.0270 2.1297 2.3551 2.4271 2.4930 2.5156 2.6801 2.7026 2.8274 2.8475 3.1097 3.1548 3.2539 3.3305 3.3668 3.4215 3.7150 3.8093 3.9282 4.0211 4.1976 4.2354 4.6503 4.8772 5.0500 5.1381 5.1912 5.2282 5.4122 5.4435 5.9381 5.9478 6.2379 6.3504 8.1489 8.1541 9.5433 9.5767 9.8416 9.9887 10.3189 10.3339 10.5083 10.6698 11.5227 11.5791 12.3346 12.3764 k =-0.3124 0.4135 0.5479 ( 6878 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4544 -6.4502 -6.1250 -6.1239 -6.1090 -6.1058 -5.8354 -5.8240 -0.8003 -0.7846 -0.0603 -0.0487 -0.0186 0.0550 0.2400 0.2885 0.3190 0.3247 0.3332 0.4116 1.2917 1.3034 1.6196 1.6637 1.7919 1.8944 1.8978 1.9475 2.0301 2.1291 2.3601 2.4333 2.4891 2.5040 2.6808 2.7016 2.8285 2.8477 3.1097 3.1563 3.2676 3.3361 3.3618 3.4006 3.7152 3.8026 3.9287 4.0140 4.2123 4.2332 4.6650 4.8949 5.0415 5.1310 5.1679 5.2152 5.4149 5.4455 5.9389 5.9441 6.2391 6.3514 8.1571 8.1626 9.5344 9.5658 9.8476 10.0049 10.3117 10.3213 10.4957 10.6616 11.5334 11.5931 12.3641 12.3914 k =-0.3214 0.4253 0.5331 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4546 -6.4504 -6.1252 -6.1242 -6.1092 -6.1060 -5.8348 -5.8234 -0.8003 -0.7846 -0.0603 -0.0487 -0.0184 0.0550 0.2400 0.2885 0.3190 0.3266 0.3315 0.4120 1.2923 1.3040 1.6200 1.6641 1.7927 1.8948 1.8980 1.9476 2.0311 2.1289 2.3618 2.4356 2.4889 2.4988 2.6811 2.7012 2.8289 2.8477 3.1097 3.1567 3.2739 3.3332 3.3705 3.3864 3.7152 3.8003 3.9288 4.0115 4.2206 4.2294 4.6703 4.9008 5.0396 5.1282 5.1591 5.2107 5.4158 5.4463 5.9399 5.9421 6.2395 6.3518 8.1599 8.1655 9.5314 9.5622 9.8497 10.0108 10.3097 10.3159 10.4916 10.6589 11.5370 11.5978 12.3769 12.3947 k =-0.3214 0.4253 0.5331 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4546 -6.4504 -6.1252 -6.1242 -6.1092 -6.1060 -5.8348 -5.8234 -0.8003 -0.7846 -0.0603 -0.0487 -0.0184 0.0550 0.2400 0.2885 0.3190 0.3266 0.3315 0.4120 1.2923 1.3040 1.6200 1.6641 1.7927 1.8948 1.8980 1.9476 2.0311 2.1289 2.3618 2.4356 2.4889 2.4988 2.6811 2.7012 2.8289 2.8477 3.1097 3.1567 3.2739 3.3332 3.3705 3.3864 3.7152 3.8003 3.9288 4.0115 4.2206 4.2294 4.6703 4.9008 5.0396 5.1282 5.1591 5.2107 5.4158 5.4463 5.9399 5.9421 6.2395 6.3518 8.1599 8.1655 9.5314 9.5622 9.8497 10.0108 10.3097 10.3159 10.4916 10.6589 11.5370 11.5978 12.3769 12.3947 k =-0.3122 0.4132 0.5178 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4518 -6.4478 -6.1401 -6.1384 -6.0993 -6.0955 -5.8329 -5.8212 -0.7893 -0.7745 -0.0589 -0.0474 -0.0140 0.0537 0.2429 0.2863 0.3216 0.3321 0.3336 0.4107 1.3139 1.3253 1.6137 1.6558 1.7876 1.8983 1.9039 1.9557 2.0182 2.1171 2.3563 2.4307 2.4575 2.4724 2.6887 2.7031 2.7892 2.8229 3.0823 3.1134 3.2507 3.3307 3.3662 3.3738 3.7581 3.7790 3.9700 4.0052 4.1956 4.2170 4.6975 4.9159 5.0792 5.1307 5.1511 5.1881 5.4393 5.4746 5.9603 5.9610 6.2254 6.3364 8.1640 8.1690 9.5590 9.5853 9.9150 10.0838 10.3217 10.3278 10.5651 10.7459 11.5329 11.5826 12.3918 12.4038 k =-0.3030 0.4010 0.5026 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4518 -6.4481 -6.1520 -6.1498 -6.0888 -6.0849 -5.8310 -5.8190 -0.7785 -0.7649 -0.0575 -0.0463 -0.0090 0.0516 0.2461 0.2837 0.3238 0.3326 0.3418 0.4087 1.3364 1.3473 1.6080 1.6478 1.7843 1.8992 1.9135 1.9657 2.0059 2.1052 2.3491 2.4105 2.4429 2.4469 2.6956 2.7029 2.7502 2.8025 3.0493 3.0698 3.2317 3.3280 3.3627 3.3637 3.7549 3.8030 3.9883 4.0175 4.1732 4.2063 4.7262 4.9176 5.0710 5.0951 5.1652 5.2458 5.4666 5.5064 5.9760 5.9764 6.2069 6.3158 8.1674 8.1718 9.5856 9.6084 9.9785 10.1526 10.3311 10.3377 10.6290 10.8237 11.5377 11.5741 12.3872 12.3979 k =-0.2938 0.3889 0.4874 ( 6874 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7507 -14.7106 -14.7106 -6.4552 -6.4518 -6.1604 -6.1577 -6.0781 -6.0741 -5.8290 -5.8168 -0.7680 -0.7558 -0.0560 -0.0456 -0.0034 0.0488 0.2494 0.2806 0.3258 0.3329 0.3504 0.4061 1.3597 1.3697 1.6029 1.6402 1.7831 1.9010 1.9233 1.9769 1.9945 2.0933 2.3398 2.3806 2.4227 2.4398 2.6993 2.6993 2.7145 2.7880 3.0129 3.0267 3.2161 3.3239 3.3541 3.3626 3.7318 3.8454 3.9778 4.0525 4.1544 4.1972 4.7558 4.8971 5.0395 5.0657 5.2211 5.3061 5.4973 5.5413 5.9863 5.9873 6.1838 6.2900 8.1699 8.1737 9.6112 9.6310 10.0390 10.2162 10.3384 10.3460 10.6798 10.8876 11.5534 11.5755 12.3682 12.3790 k =-0.2846 0.3767 0.4721 ( 6886 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7507 -14.7106 -14.7106 -6.4622 -6.4593 -6.1649 -6.1616 -6.0673 -6.0632 -5.8270 -5.8146 -0.7578 -0.7474 -0.0546 -0.0453 0.0025 0.0453 0.2526 0.2773 0.3278 0.3329 0.3590 0.4028 1.3835 1.3921 1.5986 1.6331 1.7841 1.9043 1.9330 1.9843 1.9891 2.0813 2.3281 2.3509 2.4002 2.4380 2.6730 2.6920 2.7091 2.7797 2.9750 2.9848 3.2031 3.3168 3.3492 3.3623 3.7081 3.8866 3.9623 4.0851 4.1404 4.1899 4.7840 4.8580 4.9881 5.0781 5.2807 5.3675 5.5311 5.5789 5.9914 5.9927 6.1561 6.2592 8.1715 8.1745 9.6357 9.6530 10.0950 10.2734 10.3443 10.3536 10.7143 10.9325 11.5817 11.5910 12.3388 12.3499 k =-0.2755 0.3645 0.4569 ( 6874 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7507 -14.7106 -14.7106 -6.4730 -6.4704 -6.1654 -6.1615 -6.0564 -6.0522 -5.8250 -5.8124 -0.7481 -0.7396 -0.0533 -0.0452 0.0087 0.0413 0.2560 0.2739 0.3298 0.3328 0.3676 0.3989 1.4075 1.4140 1.5952 1.6266 1.7876 1.9092 1.9413 1.9766 2.0018 2.0696 2.3140 2.3232 2.3797 2.4355 2.6389 2.6825 2.7127 2.7763 2.9372 2.9447 3.1920 3.3072 3.3481 3.3630 3.6841 3.9259 3.9434 4.1088 4.1357 4.1842 4.8031 4.8098 4.9496 5.1007 5.3422 5.4300 5.5676 5.6190 5.9908 5.9923 6.1242 6.2236 8.1719 8.1742 9.6588 9.6738 10.1452 10.3222 10.3510 10.3614 10.7303 10.9539 11.6235 11.6235 12.3019 12.3133 k =-0.2663 0.3524 0.4417 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.4870 -6.4849 -6.1622 -6.1578 -6.0455 -6.0412 -5.8229 -5.8102 -0.7389 -0.7324 -0.0521 -0.0454 0.0151 0.0368 0.2592 0.2704 0.3316 0.3324 0.3759 0.3945 1.4313 1.4351 1.5927 1.6207 1.7938 1.9157 1.9453 1.9742 2.0148 2.0585 2.2978 2.2981 2.3611 2.4311 2.6075 2.6726 2.7151 2.7756 2.9008 2.9069 3.1825 3.2966 3.3492 3.3646 3.6600 3.9219 3.9627 4.1125 4.1503 4.1802 4.7581 4.7952 4.9420 5.1288 5.4051 5.4931 5.6061 5.6608 5.9843 5.9858 6.0886 6.1838 8.1709 8.1723 9.6801 9.6931 10.1882 10.3462 10.3708 10.3750 10.7269 10.9508 11.6737 11.6788 12.2595 12.2710 k =-0.2571 0.3402 0.4265 ( 6864 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.5039 -6.5021 -6.1558 -6.1510 -6.0345 -6.0301 -5.8208 -5.8081 -0.7302 -0.7260 -0.0511 -0.0457 0.0216 0.0320 0.2623 0.2668 0.3318 0.3333 0.3838 0.3896 1.4543 1.4547 1.5912 1.6154 1.8028 1.9238 1.9430 1.9791 2.0268 2.0493 2.2752 2.2811 2.3441 2.4237 2.5803 2.6638 2.7159 2.7758 2.8665 2.8720 3.1748 3.2864 3.3516 3.3668 3.6360 3.8985 3.9964 4.1095 4.1698 4.1778 4.7055 4.7588 4.9672 5.1605 5.4691 5.5565 5.6456 5.7034 5.9715 5.9729 6.0504 6.1404 8.1681 8.1685 9.6993 9.7106 10.2226 10.3520 10.3833 10.4102 10.7054 10.9261 11.7391 11.7462 12.2126 12.2239 k =-0.2479 0.3281 0.4112 ( 6848 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.5230 -6.5215 -6.1468 -6.1417 -6.0235 -6.0191 -5.8187 -5.8060 -0.7220 -0.7202 -0.0503 -0.0460 0.0271 0.0281 0.2633 0.2651 0.3310 0.3350 0.3845 0.3912 1.4725 1.4761 1.5907 1.6107 1.8146 1.9330 1.9378 1.9881 2.0312 2.0491 2.2556 2.2637 2.3286 2.4121 2.5586 2.6568 2.7147 2.7755 2.8352 2.8404 3.1689 3.2774 3.3549 3.3698 3.6125 3.8741 4.0265 4.1073 4.1769 4.1861 4.6534 4.7111 5.0083 5.1951 5.5338 5.6194 5.6848 5.7451 5.9528 5.9536 6.0119 6.0951 8.1624 8.1631 9.7163 9.7260 10.2477 10.3563 10.3992 10.4396 10.6697 10.8849 11.8161 11.8236 12.1613 12.1724 k =-0.2387 0.3159 0.3960 ( 6864 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.5438 -6.5425 -6.1357 -6.1303 -6.0126 -6.0082 -5.8166 -5.8040 -0.7152 -0.7145 -0.0500 -0.0466 0.0220 0.0344 0.2597 0.2675 0.3298 0.3364 0.3791 0.3980 1.4879 1.4961 1.5914 1.6065 1.8288 1.9324 1.9422 1.9980 2.0270 2.0597 2.2394 2.2466 2.3149 2.3959 2.5430 2.6515 2.7109 2.7736 2.8079 2.8128 3.1649 3.2703 3.3588 3.3731 3.5896 3.8491 4.0523 4.1062 4.1777 4.1980 4.6022 4.6604 5.0568 5.2322 5.5991 5.6786 5.7221 5.7816 5.9277 5.9296 5.9774 6.0508 8.1534 8.1552 9.7310 9.7393 10.2638 10.3604 10.4174 10.4591 10.6268 10.8335 11.9008 11.9087 12.1057 12.1165 k =-0.2296 0.3038 0.3808 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.5657 -6.5645 -6.1231 -6.1174 -6.0018 -5.9974 -5.8146 -5.8020 -0.7108 -0.7076 -0.0500 -0.0472 0.0170 0.0405 0.2563 0.2695 0.3285 0.3376 0.3739 0.4042 1.5009 1.5136 1.5933 1.6028 1.8448 1.9280 1.9490 2.0081 2.0253 2.0719 2.2268 2.2303 2.3036 2.3761 2.5330 2.6478 2.7038 2.7695 2.7858 2.7903 3.1631 3.2658 3.3630 3.3769 3.5677 3.8242 4.0729 4.1060 4.1803 4.2052 4.5530 4.6097 5.1099 5.2717 5.6645 5.7164 5.7658 5.8012 5.8972 5.9073 5.9549 6.0142 8.1409 8.1440 9.7434 9.7506 10.2715 10.3618 10.4352 10.4601 10.5918 10.7786 11.9885 11.9966 12.0480 12.0578 k =-0.2204 0.2916 0.3655 ( 6862 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.5883 -6.5873 -6.1092 -6.1034 -5.9911 -5.9867 -5.8125 -5.8000 -0.7072 -0.7014 -0.0505 -0.0478 0.0123 0.0463 0.2530 0.2709 0.3270 0.3388 0.3688 0.4097 1.5114 1.5282 1.5964 1.5994 1.8613 1.9255 1.9508 2.0177 2.0304 2.0835 2.2151 2.2183 2.2955 2.3544 2.5273 2.6453 2.6928 2.7620 2.7699 2.7739 3.1632 3.2642 3.3676 3.3811 3.5471 3.7997 4.0878 4.1064 4.1848 4.2077 4.5062 4.5605 5.1663 5.3134 5.7123 5.7283 5.7872 5.8235 5.8644 5.8884 5.9551 6.0015 8.1243 8.1290 9.7540 9.7602 10.2691 10.3492 10.4410 10.4496 10.5818 10.7285 11.9760 11.9839 12.0890 12.0971 k =-0.2112 0.2795 0.3503 ( 6866 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.6113 -6.6104 -6.0944 -6.0886 -5.9805 -5.9762 -5.8105 -5.7982 -0.7042 -0.6959 -0.0516 -0.0485 0.0080 0.0516 0.2499 0.2715 0.3255 0.3397 0.3641 0.4145 1.5195 1.5397 1.5961 1.6004 1.8761 1.9263 1.9473 2.0264 2.0421 2.0939 2.2013 2.2143 2.2916 2.3324 2.5250 2.6436 2.6782 2.7528 2.7603 2.7625 3.1652 3.2657 3.3725 3.3853 3.5282 3.7758 4.0964 4.1072 4.1910 4.2051 4.4625 4.5135 5.2252 5.3573 5.6766 5.7352 5.7990 5.8244 5.8588 5.8880 5.9799 6.0228 8.1033 8.1096 9.7634 9.7685 10.2525 10.3019 10.4317 10.4590 10.5904 10.6917 11.9058 11.9131 12.1822 12.1921 k =-0.2020 0.2673 0.3351 ( 6868 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.6344 -6.6336 -6.0790 -6.0731 -5.9702 -5.9660 -5.8084 -5.7964 -0.7018 -0.6911 -0.0532 -0.0492 0.0041 0.0565 0.2469 0.2713 0.3240 0.3404 0.3598 0.4186 1.5253 1.5480 1.5928 1.6049 1.8864 1.9322 1.9405 2.0338 2.0573 2.1036 2.1892 2.2149 2.2925 2.3116 2.5255 2.6424 2.6618 2.7449 2.7535 2.7557 3.1685 3.2703 3.3775 3.3897 3.5115 3.7529 4.0988 4.1079 4.1974 4.1980 4.4225 4.4694 5.2862 5.4032 5.6233 5.6764 5.7818 5.8112 5.8685 5.9504 6.0200 6.0630 8.0773 8.0854 9.7720 9.7759 10.2168 10.2282 10.4387 10.4655 10.6058 10.6732 11.8303 11.8362 12.2674 12.2821 k =-0.1928 0.2552 0.3198 ( 6880 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.6573 -6.6566 -6.0633 -6.0574 -5.9601 -5.9559 -5.8065 -5.7946 -0.7001 -0.6870 -0.0553 -0.0499 0.0008 0.0606 0.2441 0.2703 0.3228 0.3410 0.3560 0.4219 1.5290 1.5537 1.5892 1.6090 1.8915 1.9325 1.9429 2.0398 2.0716 2.1140 2.1792 2.2197 2.2934 2.2991 2.5282 2.6419 2.6456 2.7341 2.7511 2.7547 3.1729 3.2780 3.3826 3.3939 3.4975 3.7312 4.0950 4.1086 4.1843 4.2051 4.3871 4.4288 5.3486 5.4509 5.5607 5.6078 5.7348 5.7654 5.9319 6.0127 6.0677 6.1104 8.0461 8.0561 9.7806 9.7827 10.1442 10.1615 10.4521 10.4731 10.6234 10.6708 11.7511 11.7553 12.2472 12.2598 k =-0.1836 0.2430 0.3046 ( 6870 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.6800 -6.6794 -6.0473 -6.0414 -5.9503 -5.9462 -5.8045 -5.7930 -0.6990 -0.6837 -0.0578 -0.0504 -0.0019 0.0641 0.2417 0.2685 0.3219 0.3413 0.3528 0.4244 1.5309 1.5572 1.5853 1.6119 1.8937 1.9243 1.9553 2.0444 2.0819 2.1266 2.1716 2.2271 2.2801 2.3116 2.5319 2.6324 2.6424 2.7196 2.7562 2.7564 3.1777 3.2884 3.3878 3.3980 3.4866 3.7107 4.0853 4.1089 4.1658 4.2114 4.3567 4.3921 5.4120 5.4926 5.4996 5.5343 5.6846 5.7149 5.9964 6.0740 6.1194 6.1608 8.0097 8.0216 9.7885 9.7894 10.0573 10.0913 10.4683 10.4841 10.6418 10.6787 11.6693 11.6717 12.2208 12.2333 k =-0.1745 0.2309 0.2894 ( 6878 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.7022 -6.7017 -6.0313 -6.0255 -5.9407 -5.9367 -5.8026 -5.7914 -0.6984 -0.6812 -0.0607 -0.0510 -0.0042 0.0667 0.2395 0.2661 0.3213 0.3415 0.3499 0.4262 1.5312 1.5589 1.5808 1.6131 1.8946 1.9167 1.9670 2.0479 2.0877 2.1404 2.1665 2.2328 2.2761 2.3295 2.5339 2.6256 2.6442 2.7030 2.7604 2.7673 3.1823 3.3010 3.3931 3.4017 3.4796 3.6916 4.0700 4.1085 4.1424 4.2167 4.3312 4.3593 5.4210 5.4552 5.4752 5.5506 5.6327 5.6625 6.0605 6.1337 6.1735 6.2124 7.9680 7.9819 9.7905 9.7982 9.9735 10.0128 10.4854 10.4981 10.6604 10.6919 11.5861 11.5869 12.1995 12.2119 k =-0.1653 0.2187 0.2742 ( 6874 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.7239 -6.7234 -6.0154 -6.0097 -5.9315 -5.9276 -5.8008 -5.7900 -0.6983 -0.6795 -0.0636 -0.0514 -0.0062 0.0683 0.2376 0.2634 0.3210 0.3415 0.3474 0.4273 1.5301 1.5589 1.5756 1.6122 1.8953 1.9101 1.9767 2.0513 2.0907 2.1530 2.1640 2.2325 2.2859 2.3522 2.5308 2.6293 2.6475 2.6850 2.7663 2.7839 3.1864 3.3156 3.3986 3.4049 3.4769 3.6741 4.0498 4.1071 4.1149 4.2211 4.3102 4.3297 5.3475 5.3750 5.5280 5.5843 5.5895 5.6253 6.1235 6.1918 6.2287 6.2642 7.9212 7.9374 9.7784 9.8050 9.9049 9.9326 10.5026 10.5137 10.6788 10.7075 11.5019 11.5027 12.1833 12.1956 k =-0.1561 0.2066 0.2589 ( 6874 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7107 -14.7106 -6.7448 -6.7444 -5.9997 -5.9941 -5.9226 -5.9188 -5.7990 -5.7886 -0.6986 -0.6784 -0.0664 -0.0518 -0.0078 0.0689 0.2360 0.2607 0.3209 0.3413 0.3452 0.4277 1.5276 1.5576 1.5697 1.6091 1.8960 1.9047 1.9837 2.0556 2.0920 2.1632 2.1641 2.2300 2.3050 2.3785 2.5220 2.6440 2.6517 2.6664 2.7742 2.8056 3.1897 3.3315 3.4042 3.4077 3.4784 3.6582 4.0257 4.0834 4.1058 4.2244 4.2923 4.3026 5.2727 5.2930 5.5052 5.5404 5.6209 5.6655 6.1854 6.2481 6.2844 6.3157 7.8699 7.8882 9.7313 9.7953 9.8682 9.8736 10.5193 10.5300 10.6969 10.7238 11.4179 11.4203 12.1722 12.1842 k =-0.1469 0.1944 0.2437 ( 6874 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7107 -14.7106 -6.7650 -6.7645 -5.9844 -5.9789 -5.9140 -5.9105 -5.7972 -5.7873 -0.6994 -0.6781 -0.0689 -0.0521 -0.0093 0.0684 0.2347 0.2583 0.3210 0.3410 0.3434 0.4274 1.5241 1.5548 1.5630 1.6039 1.8969 1.9006 1.9879 2.0616 2.0922 2.1668 2.1709 2.2297 2.3279 2.4071 2.5105 2.6456 2.6587 2.6664 2.7846 2.8325 3.1920 3.3482 3.4101 3.4105 3.4840 3.6440 3.9991 4.0506 4.1025 4.2269 4.2762 4.2769 5.1976 5.2101 5.4494 5.4823 5.6844 5.7197 6.2456 6.3024 6.3398 6.3664 7.8143 7.8350 9.6579 9.7349 9.8553 9.8716 10.5349 10.5459 10.7142 10.7398 11.3361 11.3398 12.1658 12.1775 k =-0.1377 0.1823 0.2285 ( 6870 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.7842 -6.7838 -5.9695 -5.9642 -5.9058 -5.9025 -5.7956 -5.7861 -0.7004 -0.6785 -0.0710 -0.0523 -0.0107 0.0668 0.2338 0.2565 0.3211 0.3405 0.3417 0.4265 1.5196 1.5508 1.5557 1.5968 1.8977 1.8979 1.9894 2.0695 2.0915 2.1721 2.1764 2.2330 2.3512 2.4368 2.4994 2.6265 2.6649 2.6925 2.7987 2.8643 3.1936 3.3651 3.4135 3.4163 3.4931 3.6317 3.9712 4.0168 4.0978 4.2283 4.2519 4.2610 5.1229 5.1269 5.3903 5.4224 5.7510 5.7761 6.3041 6.3549 6.3942 6.4160 7.7550 7.7781 9.5782 9.6552 9.8637 9.8792 10.5492 10.5609 10.7304 10.7548 11.2573 11.2622 12.1639 12.1753 k =-0.1285 0.1701 0.2132 ( 6878 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.8025 -6.8022 -5.9551 -5.9500 -5.8981 -5.8949 -5.7940 -5.7850 -0.7018 -0.6794 -0.0726 -0.0523 -0.0121 0.0641 0.2331 0.2551 0.3212 0.3399 0.3403 0.4250 1.5144 1.5456 1.5478 1.5880 1.8961 1.8993 1.9890 2.0790 2.0899 2.1802 2.1803 2.2403 2.3716 2.4661 2.4923 2.6080 2.6720 2.7180 2.8187 2.9005 3.1951 3.3815 3.4168 3.4233 3.5050 3.6212 3.9429 3.9830 4.0914 4.2270 4.2277 4.2465 5.0443 5.0493 5.3302 5.3618 5.8184 5.8338 6.3603 6.4052 6.4470 6.4641 7.6927 7.7182 9.4990 9.5745 9.8754 9.8895 10.5619 10.5745 10.7452 10.7685 11.1824 11.1884 12.1662 12.1771 k =-0.1194 0.1580 0.1980 ( 6874 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.8198 -6.8195 -5.9413 -5.9365 -5.8907 -5.8877 -5.7924 -5.7840 -0.7033 -0.6810 -0.0736 -0.0522 -0.0135 0.0604 0.2329 0.2544 0.3213 0.3391 0.3392 0.4228 1.5085 1.5395 1.5395 1.5779 1.8955 1.9011 1.9874 2.0876 2.0892 2.1830 2.1912 2.2513 2.3853 2.4926 2.4930 2.5923 2.6795 2.7390 2.8468 2.9407 3.1970 3.3966 3.4206 3.4316 3.5191 3.6126 3.9149 3.9498 4.0831 4.2018 4.2208 4.2361 4.9629 4.9776 5.2703 5.3013 5.8862 5.8924 6.4142 6.4534 6.4979 6.5106 7.6279 7.6559 9.4228 9.4961 9.8875 9.9004 10.5730 10.5865 10.7583 10.7803 11.1125 11.1194 12.1722 12.1825 k =-0.1102 0.1458 0.1828 ( 6878 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7106 -6.8361 -6.8358 -5.9283 -5.9237 -5.8838 -5.8810 -5.7910 -5.7832 -0.7051 -0.6830 -0.0739 -0.0520 -0.0150 0.0558 0.2330 0.2543 0.3213 0.3382 0.3383 0.4201 1.5023 1.5310 1.5327 1.5669 1.8959 1.9033 1.9852 2.0847 2.0995 2.1848 2.2051 2.2654 2.3898 2.5041 2.5109 2.5845 2.6873 2.7543 2.8827 2.9840 3.2001 3.4094 3.4247 3.4417 3.5349 3.6057 3.8880 3.9180 4.0725 4.1762 4.2051 4.2317 4.8836 4.9087 5.2112 5.2414 5.9518 5.9541 6.4652 6.4990 6.5465 6.5551 7.5611 7.5916 9.3507 9.4212 9.8986 9.9104 10.5824 10.5966 10.7694 10.7900 11.0484 11.0560 12.1812 12.1910 k =-0.1010 0.1337 0.1675 ( 6868 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.8512 -6.8509 -5.9160 -5.9117 -5.8773 -5.8747 -5.7896 -5.7824 -0.7068 -0.6854 -0.0735 -0.0516 -0.0165 0.0504 0.2334 0.2547 0.3214 0.3374 0.3376 0.4169 1.4959 1.5225 1.5254 1.5554 1.8970 1.9059 1.9829 2.0812 2.1095 2.1860 2.2216 2.2816 2.3873 2.5130 2.5236 2.5924 2.6953 2.7649 2.9241 3.0296 3.2051 3.4201 3.4294 3.4536 3.5517 3.6003 3.8624 3.8878 4.0595 4.1500 4.1858 4.2273 4.8073 4.8432 5.1535 5.1828 6.0118 6.0219 6.5133 6.5420 6.5923 6.5974 7.4930 7.5259 9.2834 9.3506 9.9081 9.9189 10.5901 10.6047 10.7782 10.7972 10.9911 10.9991 12.1927 12.2018 k =-0.0918 0.1215 0.1523 ( 6864 PWs) bands (ev): -15.7916 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.8651 -6.8649 -5.9046 -5.9007 -5.8712 -5.8689 -5.7883 -5.7817 -0.7086 -0.6882 -0.0724 -0.0510 -0.0181 0.0444 0.2341 0.2553 0.3215 0.3365 0.3374 0.4133 1.4894 1.5142 1.5178 1.5437 1.8988 1.9089 1.9806 2.0772 2.1190 2.1869 2.2403 2.2989 2.3817 2.5021 2.5478 2.6125 2.7035 2.7724 2.9683 3.0763 3.2128 3.4293 3.4346 3.4666 3.5688 3.5961 3.8386 3.8599 4.0439 4.1235 4.1643 4.2206 4.7353 4.7818 5.0978 5.1259 6.0722 6.0896 6.5578 6.5820 6.6350 6.6372 7.4239 7.4593 9.2213 9.2847 9.9154 9.9253 10.5962 10.6110 10.7840 10.8012 10.9417 10.9497 12.2057 12.2139 k =-0.0826 0.1094 0.1371 ( 6856 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.8778 -6.8776 -5.8942 -5.8906 -5.8655 -5.8635 -5.7871 -5.7811 -0.7103 -0.6911 -0.0705 -0.0503 -0.0198 0.0379 0.2352 0.2561 0.3217 0.3355 0.3374 0.4092 1.4832 1.5061 1.5101 1.5320 1.9011 1.9123 1.9788 2.0727 2.1278 2.1874 2.2606 2.3161 2.3763 2.4867 2.5739 2.6360 2.7119 2.7775 3.0133 3.1231 3.2238 3.4379 3.4407 3.4798 3.5856 3.5925 3.8168 3.8345 4.0257 4.0967 4.1412 4.2104 4.6690 4.7252 5.0448 5.0713 6.1332 6.1571 6.5988 6.6188 6.6745 6.6745 7.3545 7.3921 9.1650 9.2239 9.9202 9.9292 10.6008 10.6154 10.7860 10.8006 10.9020 10.9091 12.2191 12.2262 k =-0.0735 0.0972 0.1218 ( 6852 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.8892 -6.8891 -5.8848 -5.8816 -5.8602 -5.8585 -5.7860 -5.7807 -0.7119 -0.6942 -0.0680 -0.0495 -0.0216 0.0310 0.2365 0.2569 0.3220 0.3344 0.3380 0.4047 1.4773 1.4985 1.5026 1.5208 1.9037 1.9159 1.9775 2.0674 2.1360 2.1877 2.2818 2.3312 2.3735 2.4702 2.6005 2.6593 2.7204 2.7807 3.0575 3.1684 3.2383 3.4466 3.4480 3.4926 3.5894 3.6014 3.7974 3.8121 4.0054 4.0702 4.1165 4.1953 4.6101 4.6740 4.9951 5.0197 6.1944 6.2241 6.6358 6.6522 6.7090 6.7104 7.2850 7.3248 9.1146 9.1687 9.9225 9.9306 10.6041 10.6181 10.7827 10.7933 10.8744 10.8789 12.2316 12.2374 k =-0.0643 0.0851 0.1066 ( 6830 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.8994 -6.8993 -5.8764 -5.8738 -5.8553 -5.8540 -5.7850 -5.7803 -0.7134 -0.6974 -0.0648 -0.0484 -0.0233 0.0238 0.2381 0.2575 0.3225 0.3335 0.3390 0.3999 1.4720 1.4916 1.4954 1.5101 1.9065 1.9195 1.9769 2.0614 2.1437 2.1880 2.3032 2.3409 2.3761 2.4538 2.6270 2.6808 2.7292 2.7823 3.0997 3.2107 3.2563 3.4551 3.4573 3.5047 3.5874 3.6154 3.7808 3.7927 3.9838 4.0442 4.0907 4.1744 4.5602 4.6283 4.9493 4.9717 6.2557 6.2906 6.6686 6.6819 6.7404 6.7424 7.2160 7.2576 9.0704 9.1190 9.9224 9.9297 10.6063 10.6194 10.7735 10.7791 10.8591 10.8600 12.2418 12.2461 k =-0.0551 0.0729 0.0914 ( 6820 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9083 -6.9082 -5.8693 -5.8672 -5.8508 -5.8499 -5.7841 -5.7800 -0.7145 -0.7005 -0.0611 -0.0473 -0.0252 0.0165 0.2398 0.2578 0.3230 0.3325 0.3406 0.3949 1.4675 1.4854 1.4888 1.5002 1.9096 1.9229 1.9772 2.0548 2.1508 2.1880 2.3242 2.3445 2.3847 2.4379 2.6525 2.6996 2.7381 2.7826 3.1393 3.2482 3.2765 3.4619 3.4693 3.5157 3.5884 3.6266 3.7673 3.7757 3.9623 4.0193 4.0640 4.1472 4.5204 4.5883 4.9081 4.9280 6.3171 6.3563 6.6972 6.7078 6.7685 6.7703 7.1479 7.1908 9.0325 9.0753 9.9204 9.9268 10.6075 10.6195 10.7602 10.7621 10.8502 10.8520 12.2484 12.2510 k =-0.0459 0.0608 0.0762 ( 6812 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9158 -6.9157 -5.8634 -5.8618 -5.8468 -5.8461 -5.7832 -5.7799 -0.7154 -0.7035 -0.0568 -0.0460 -0.0270 0.0091 0.2417 0.2578 0.3236 0.3315 0.3428 0.3896 1.4638 1.4801 1.4827 1.4913 1.9127 1.9256 1.9788 2.0475 2.1573 2.1877 2.3441 2.3457 2.3952 2.4228 2.6767 2.7154 2.7469 2.7816 3.1767 3.2795 3.2969 3.4629 3.4851 3.5268 3.5956 3.6340 3.7572 3.7600 3.9429 3.9961 4.0370 4.1145 4.4909 4.5539 4.8722 4.8892 6.3784 6.4210 6.7214 6.7299 6.7931 6.7937 7.0813 7.1248 9.0011 9.0375 9.9171 9.9225 10.6082 10.6187 10.7463 10.7464 10.8457 10.8485 12.2506 12.2518 k =-0.0367 0.0486 0.0609 ( 6808 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9220 -6.9220 -5.8587 -5.8576 -5.8432 -5.8429 -5.7825 -5.7798 -0.7160 -0.7062 -0.0520 -0.0446 -0.0289 0.0017 0.2438 0.2574 0.3242 0.3305 0.3457 0.3842 1.4610 1.4757 1.4774 1.4835 1.9157 1.9276 1.9817 2.0396 2.1632 2.1871 2.3470 2.3623 2.4043 2.4089 2.6988 2.7282 2.7548 2.7795 3.2125 3.3039 3.3151 3.4542 3.5056 3.5402 3.6101 3.6371 3.7438 3.7502 3.9282 3.9753 4.0103 4.0783 4.4707 4.5248 4.8422 4.8561 6.4392 6.4841 6.7412 6.7479 6.8123 6.8140 7.0173 7.0599 8.9761 9.0058 9.9132 9.9176 10.6085 10.6172 10.7335 10.7343 10.8437 10.8465 12.2492 12.2494 k =-0.0275 0.0365 0.0457 ( 6817 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9269 -6.9268 -5.8552 -5.8544 -5.8403 -5.8402 -5.7818 -5.7798 -0.7161 -0.7087 -0.0469 -0.0431 -0.0306 -0.0056 0.2458 0.2565 0.3248 0.3295 0.3491 0.3787 1.4593 1.4723 1.4726 1.4772 1.9187 1.9285 1.9861 2.0313 2.1684 2.1861 2.3495 2.3784 2.3961 2.4108 2.7185 2.7388 2.7607 2.7764 3.2474 3.3217 3.3292 3.4359 3.5304 3.5558 3.6301 3.6361 3.7257 3.7449 3.9204 3.9580 3.9851 4.0412 4.4584 4.5008 4.8186 4.8291 6.4987 6.5441 6.7567 6.7619 6.8253 6.8309 6.9577 6.9968 8.9576 8.9802 9.9093 9.9127 10.6088 10.6155 10.7239 10.7250 10.8427 10.8452 12.2454 12.2456 k =-0.0184 0.0243 0.0305 ( 6817 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9303 -6.9303 -5.8527 -5.8523 -5.8381 -5.8381 -5.7813 -5.7799 -0.7159 -0.7109 -0.0419 -0.0416 -0.0317 -0.0127 0.2479 0.2553 0.3255 0.3286 0.3532 0.3732 1.4588 1.4682 1.4700 1.4728 1.9214 1.9284 1.9918 2.0229 2.1731 2.1847 2.3534 2.3845 2.3921 2.4140 2.7351 2.7475 2.7636 2.7725 3.2819 3.3337 3.3386 3.4110 3.5576 3.5712 3.6325 3.6505 3.7073 3.7388 3.9208 3.9456 3.9629 4.0061 4.4527 4.4817 4.8020 4.8090 6.5556 6.5977 6.7678 6.7715 6.8312 6.8435 6.9078 6.9373 8.9456 8.9608 9.9063 9.9085 10.6091 10.6137 10.7175 10.7183 10.8424 10.8442 12.2415 12.2417 k =-0.0092 0.0122 0.0152 ( 6819 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9324 -6.9324 -5.8513 -5.8511 -5.8368 -5.8368 -5.7808 -5.7801 -0.7153 -0.7128 -0.0401 -0.0388 -0.0306 -0.0196 0.2500 0.2537 0.3262 0.3277 0.3577 0.3678 1.4595 1.4643 1.4688 1.4700 1.9239 1.9275 1.9987 2.0145 2.1770 2.1828 2.3589 2.3745 2.4026 2.4137 2.7481 2.7548 2.7629 2.7677 3.3159 3.3409 3.3436 3.3818 3.5820 3.5842 3.6304 3.6556 3.7018 3.7293 3.9281 3.9410 3.9459 3.9755 4.4526 4.4672 4.7925 4.7961 6.6057 6.6352 6.7744 6.7764 6.8300 6.8505 6.8778 6.8867 8.9399 8.9476 9.9044 9.9056 10.6098 10.6121 10.7139 10.7143 10.8425 10.8434 12.2387 12.2388 k = 0.0000 0.0000 0.0000 ( 6847 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9331 -6.9331 -5.8507 -5.8507 -5.8363 -5.8363 -5.7804 -5.7804 -0.7142 -0.7142 -0.0389 -0.0389 -0.0259 -0.0259 0.2519 0.2519 0.3269 0.3269 0.3626 0.3626 1.4613 1.4613 1.4687 1.4687 1.9260 1.9260 2.0063 2.0063 2.1801 2.1801 2.3659 2.3659 2.4099 2.4099 2.7567 2.7567 2.7625 2.7625 3.3431 3.3431 3.3506 3.3506 3.5911 3.5911 3.6398 3.6398 3.7152 3.7152 3.9356 3.9356 3.9519 3.9519 4.4575 4.4575 4.7904 4.7904 6.6383 6.6383 6.7770 6.7770 6.8386 6.8386 6.8684 6.8684 8.9406 8.9406 9.9041 9.9041 10.6108 10.6108 10.7129 10.7129 10.8428 10.8428 12.2377 12.2377 k = 0.0000 0.0000 0.0000 ( 6847 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9331 -6.9331 -5.8507 -5.8507 -5.8363 -5.8363 -5.7804 -5.7804 -0.7142 -0.7142 -0.0389 -0.0389 -0.0259 -0.0259 0.2519 0.2519 0.3269 0.3269 0.3626 0.3626 1.4613 1.4613 1.4687 1.4687 1.9260 1.9260 2.0063 2.0063 2.1801 2.1801 2.3659 2.3659 2.4099 2.4099 2.7567 2.7567 2.7625 2.7625 3.3431 3.3431 3.3506 3.3506 3.5911 3.5911 3.6398 3.6398 3.7152 3.7152 3.9356 3.9356 3.9519 3.9519 4.4575 4.4575 4.7904 4.7904 6.6383 6.6383 6.7770 6.7770 6.8386 6.8386 6.8684 6.8684 8.9406 8.9406 9.9041 9.9041 10.6108 10.6108 10.7129 10.7129 10.8428 10.8428 12.2377 12.2377 k = 0.0167 0.0126-0.0000 ( 6831 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9325 -6.9325 -5.8507 -5.8507 -5.8364 -5.8364 -5.7812 -5.7812 -0.7151 -0.7151 -0.0389 -0.0389 -0.0259 -0.0259 0.2520 0.2520 0.3268 0.3268 0.3626 0.3626 1.4453 1.4453 1.4861 1.4861 1.9250 1.9250 2.0062 2.0062 2.1800 2.1800 2.3666 2.3666 2.4093 2.4093 2.7528 2.7528 2.7663 2.7663 3.3416 3.3416 3.3528 3.3528 3.5908 3.5908 3.6424 3.6424 3.7154 3.7154 3.9375 3.9375 3.9537 3.9537 4.4565 4.4565 4.7919 4.7919 6.6051 6.6051 6.8053 6.8053 6.8404 6.8404 6.8681 6.8681 8.9408 8.9408 9.9045 9.9045 10.6075 10.6075 10.7123 10.7123 10.8384 10.8384 12.2346 12.2346 k = 0.0333 0.0252 0.0000 ( 6827 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9306 -6.9306 -5.8508 -5.8508 -5.8365 -5.8365 -5.7837 -5.7837 -0.7176 -0.7176 -0.0390 -0.0390 -0.0260 -0.0260 0.2520 0.2520 0.3267 0.3267 0.3624 0.3624 1.4271 1.4271 1.5084 1.5084 1.9221 1.9221 2.0059 2.0059 2.1797 2.1797 2.3685 2.3685 2.4079 2.4079 2.7468 2.7468 2.7718 2.7718 3.3390 3.3390 3.3572 3.3572 3.5901 3.5901 3.6494 3.6494 3.7159 3.7159 3.9431 3.9431 3.9590 3.9590 4.4534 4.4534 4.7963 4.7963 6.5410 6.5410 6.8227 6.8227 6.8546 6.8546 6.8896 6.8896 8.9413 8.9413 9.9057 9.9057 10.5977 10.5977 10.7108 10.7108 10.8254 10.8254 12.2257 12.2257 k = 0.0500 0.0378-0.0000 ( 6831 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9275 -6.9275 -5.8509 -5.8509 -5.8366 -5.8366 -5.7879 -5.7879 -0.7216 -0.7216 -0.0391 -0.0391 -0.0261 -0.0261 0.2519 0.2519 0.3263 0.3263 0.3622 0.3622 1.4095 1.4095 1.5329 1.5329 1.9175 1.9175 2.0051 2.0051 2.1791 2.1791 2.3715 2.3715 2.4057 2.4057 2.7404 2.7404 2.7773 2.7773 3.3364 3.3364 3.3626 3.3626 3.5901 3.5901 3.6603 3.6603 3.7170 3.7170 3.9521 3.9521 3.9677 3.9677 4.4482 4.4482 4.8036 4.8036 6.4700 6.4700 6.8157 6.8157 6.8491 6.8491 6.9549 6.9549 8.9422 8.9422 9.9076 9.9076 10.5813 10.5813 10.7085 10.7085 10.8036 10.8036 12.2119 12.2119 k = 0.0667 0.0504-0.0000 ( 6807 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7508 -14.7107 -14.7107 -6.9232 -6.9232 -5.8510 -5.8510 -5.8369 -5.8369 -5.7936 -5.7936 -0.7272 -0.7272 -0.0393 -0.0393 -0.0263 -0.0263 0.2519 0.2519 0.3260 0.3260 0.3620 0.3620 1.3924 1.3924 1.5597 1.5597 1.9114 1.9114 2.0038 2.0038 2.1783 2.1783 2.3749 2.3749 2.4035 2.4035 2.7337 2.7337 2.7825 2.7825 3.3342 3.3342 3.3688 3.3688 3.5915 3.5915 3.6739 3.6739 3.7191 3.7191 3.9645 3.9645 3.9798 3.9798 4.4408 4.4408 4.8140 4.8140 6.3972 6.3972 6.8033 6.8033 6.8378 6.8378 7.0261 7.0261 8.9435 8.9435 9.9101 9.9101 10.5581 10.5581 10.7057 10.7057 10.7735 10.7735 12.1947 12.1947 k = 0.0833 0.0630-0.0000 ( 6799 PWs) bands (ev): -15.7916 -15.7916 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.9176 -6.9176 -5.8511 -5.8511 -5.8371 -5.8371 -5.8010 -5.8010 -0.7342 -0.7342 -0.0396 -0.0396 -0.0265 -0.0265 0.2518 0.2518 0.3254 0.3254 0.3617 0.3617 1.3755 1.3755 1.5891 1.5891 1.9042 1.9042 2.0018 2.0018 2.1771 2.1771 2.3774 2.3774 2.4026 2.4026 2.7268 2.7268 2.7874 2.7874 3.3323 3.3323 3.3757 3.3757 3.5948 3.5948 3.6891 3.6891 3.7229 3.7229 3.9798 3.9798 3.9949 3.9949 4.4307 4.4307 4.8274 4.8274 6.3242 6.3242 6.7870 6.7870 6.8230 6.8230 7.0980 7.0980 8.9451 8.9451 9.9131 9.9131 10.5281 10.5281 10.7024 10.7024 10.7353 10.7353 12.1756 12.1756 k = 0.1000 0.0756-0.0000 ( 6795 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.9109 -6.9109 -5.8513 -5.8513 -5.8375 -5.8375 -5.8099 -5.8099 -0.7425 -0.7425 -0.0399 -0.0399 -0.0268 -0.0268 0.2517 0.2517 0.3248 0.3248 0.3614 0.3614 1.3586 1.3586 1.6211 1.6211 1.8960 1.8960 1.9990 1.9990 2.1757 2.1757 2.3768 2.3768 2.4050 2.4050 2.7198 2.7198 2.7919 2.7919 3.3307 3.3307 3.3833 3.3833 3.6003 3.6003 3.7036 3.7036 3.7308 3.7308 3.9978 3.9978 4.0128 4.0128 4.4181 4.4181 4.8439 4.8439 6.2515 6.2515 6.7674 6.7674 6.8050 6.8050 7.1692 7.1692 8.9471 8.9471 9.9166 9.9166 10.4913 10.4913 10.6870 10.6870 10.7019 10.7019 12.1561 12.1561 k = 0.1167 0.0882 0.0000 ( 6815 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.9029 -6.9029 -5.8515 -5.8515 -5.8379 -5.8379 -5.8203 -5.8203 -0.7518 -0.7518 -0.0405 -0.0405 -0.0272 -0.0272 0.2514 0.2514 0.3239 0.3239 0.3610 0.3610 1.3418 1.3418 1.6556 1.6556 1.8871 1.8871 1.9953 1.9953 2.1740 2.1740 2.3730 2.3730 2.4110 2.4110 2.7124 2.7124 2.7958 2.7958 3.3293 3.3293 3.3916 3.3916 3.6081 3.6081 3.7139 3.7139 3.7463 3.7463 4.0180 4.0180 4.0332 4.0332 4.4028 4.4028 4.8634 4.8634 6.1796 6.1796 6.7445 6.7445 6.7841 6.7841 7.2390 7.2390 8.9493 8.9493 9.9203 9.9203 10.4480 10.4480 10.6348 10.6348 10.6989 10.6989 12.1369 12.1369 k = 0.1333 0.1007-0.0000 ( 6831 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.8938 -6.8938 -5.8518 -5.8518 -5.8385 -5.8385 -5.8320 -5.8320 -0.7621 -0.7621 -0.0411 -0.0411 -0.0277 -0.0277 0.2510 0.2510 0.3230 0.3230 0.3606 0.3606 1.3251 1.3251 1.6927 1.6927 1.8777 1.8777 1.9910 1.9910 2.1719 2.1719 2.3672 2.3672 2.4195 2.4195 2.7049 2.7049 2.7992 2.7992 3.3279 3.3279 3.4005 3.4005 3.6183 3.6183 3.7208 3.7208 3.7685 3.7685 4.0403 4.0403 4.0557 4.0557 4.3849 4.3849 4.8856 4.8856 6.1086 6.1086 6.7188 6.7188 6.7605 6.7605 7.3070 7.3070 8.9517 8.9517 9.9243 9.9243 10.3984 10.3984 10.5752 10.5752 10.6982 10.6982 12.1187 12.1187 k = 0.1500 0.1133 0.0000 ( 6819 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.8836 -6.8836 -5.8527 -5.8527 -5.8449 -5.8449 -5.8387 -5.8387 -0.7732 -0.7732 -0.0418 -0.0418 -0.0280 -0.0280 0.2507 0.2507 0.3219 0.3219 0.3604 0.3604 1.3085 1.3085 1.7318 1.7318 1.8682 1.8682 1.9861 1.9861 2.1695 2.1695 2.3604 2.3604 2.4294 2.4294 2.6973 2.6973 2.8020 2.8020 3.3265 3.3265 3.4101 3.4101 3.6308 3.6308 3.7272 3.7272 3.7947 3.7947 4.0643 4.0643 4.0798 4.0798 4.3646 4.3646 4.9105 4.9105 6.0389 6.0389 6.6904 6.6904 6.7345 6.7345 7.3727 7.3727 8.9542 8.9542 9.9284 9.9284 10.3433 10.3433 10.5102 10.5102 10.6994 10.6994 12.1010 12.1010 k = 0.1667 0.1259-0.0000 ( 6819 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.8722 -6.8722 -5.8614 -5.8614 -5.8511 -5.8511 -5.8394 -5.8394 -0.7848 -0.7848 -0.0426 -0.0426 -0.0284 -0.0284 0.2502 0.2502 0.3207 0.3207 0.3601 0.3601 1.2920 1.2920 1.7723 1.7723 1.8589 1.8589 1.9810 1.9810 2.1668 2.1668 2.3532 2.3532 2.4404 2.4404 2.6895 2.6895 2.8042 2.8042 3.3252 3.3252 3.4202 3.4202 3.6454 3.6454 3.7342 3.7342 3.8239 3.8239 4.0895 4.0895 4.1051 4.1051 4.3422 4.3422 4.9377 4.9377 5.9704 5.9704 6.6597 6.6597 6.7063 6.7063 7.4359 7.4359 8.9567 8.9567 9.9326 9.9326 10.2832 10.2832 10.4407 10.4407 10.7028 10.7028 12.0833 12.0833 k = 0.1833 0.1385 0.0000 ( 6827 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.8598 -6.8598 -5.8769 -5.8769 -5.8518 -5.8518 -5.8400 -5.8400 -0.7969 -0.7969 -0.0435 -0.0435 -0.0288 -0.0288 0.2496 0.2496 0.3194 0.3194 0.3599 0.3599 1.2758 1.2758 1.8111 1.8111 1.8522 1.8522 1.9763 1.9763 2.1638 2.1638 2.3459 2.3459 2.4523 2.4523 2.6817 2.6817 2.8057 2.8057 3.3240 3.3240 3.4307 3.4307 3.6619 3.6619 3.7423 3.7423 3.8553 3.8553 4.1149 4.1149 4.1309 4.1309 4.3186 4.3186 4.9668 4.9668 5.9033 5.9033 6.6269 6.6269 6.6762 6.6762 7.4962 7.4962 8.9590 8.9590 9.9370 9.9370 10.2191 10.2191 10.3678 10.3678 10.7088 10.7088 12.0646 12.0646 k = 0.2000 0.1511-0.0000 ( 6827 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.8464 -6.8464 -5.8940 -5.8940 -5.8521 -5.8521 -5.8406 -5.8406 -0.8092 -0.8092 -0.0446 -0.0446 -0.0293 -0.0293 0.2489 0.2489 0.3181 0.3181 0.3598 0.3598 1.2600 1.2600 1.8286 1.8286 1.8663 1.8663 1.9733 1.9733 2.1605 2.1605 2.3388 2.3388 2.4650 2.4650 2.6740 2.6740 2.8066 2.8066 3.3227 3.3227 3.4415 3.4415 3.6799 3.6799 3.7518 3.7518 3.8888 3.8888 4.1385 4.1385 4.1570 4.1570 4.2962 4.2962 4.9977 4.9977 5.8377 5.8377 6.5925 6.5925 6.6445 6.6445 7.5533 7.5533 8.9609 8.9609 9.9416 9.9416 10.1519 10.1519 10.2925 10.2925 10.7178 10.7178 12.0444 12.0444 k = 0.2167 0.1637-0.0000 ( 6819 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.8320 -6.8320 -5.9123 -5.9123 -5.8524 -5.8524 -5.8412 -5.8412 -0.8216 -0.8216 -0.0458 -0.0458 -0.0296 -0.0296 0.2481 0.2481 0.3167 0.3167 0.3598 0.3598 1.2446 1.2446 1.8225 1.8225 1.8986 1.8986 1.9762 1.9762 2.1572 2.1572 2.3322 2.3322 2.4786 2.4786 2.6663 2.6663 2.8069 2.8069 3.3214 3.3214 3.4523 3.4523 3.6991 3.6991 3.7629 3.7629 3.9239 3.9239 4.1542 4.1542 4.1839 4.1839 4.2799 4.2799 5.0299 5.0299 5.7736 5.7736 6.5566 6.5566 6.6114 6.6114 7.6071 7.6071 8.9622 8.9622 9.9463 9.9463 10.0826 10.0826 10.2160 10.2160 10.7299 10.7299 12.0228 12.0228 k = 0.2333 0.1763-0.0000 ( 6819 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.8166 -6.8166 -5.9315 -5.9315 -5.8526 -5.8526 -5.8419 -5.8419 -0.8340 -0.8340 -0.0470 -0.0470 -0.0300 -0.0300 0.2473 0.2473 0.3152 0.3152 0.3598 0.3598 1.2297 1.2297 1.8135 1.8135 1.9186 1.9186 1.9944 1.9944 2.1541 2.1541 2.3263 2.3263 2.4932 2.4932 2.6588 2.6588 2.8067 2.8067 3.3202 3.3202 3.4628 3.4628 3.7189 3.7189 3.7758 3.7758 3.9603 3.9603 4.1529 4.1529 4.2124 4.2124 4.2778 4.2778 5.0630 5.0630 5.7111 5.7111 6.5197 6.5197 6.5774 6.5774 7.6574 7.6574 8.9628 8.9628 9.9510 9.9510 10.0121 10.0121 10.1392 10.1392 10.7454 10.7454 12.0001 12.0001 k = 0.2500 0.1889 0.0000 ( 6823 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7508 -14.7107 -14.7107 -6.8004 -6.8004 -5.9517 -5.9517 -5.8529 -5.8529 -5.8426 -5.8426 -0.8462 -0.8462 -0.0484 -0.0484 -0.0304 -0.0304 0.2464 0.2464 0.3136 0.3136 0.3597 0.3597 1.2155 1.2155 1.8040 1.8040 1.9223 1.9223 2.0278 2.0278 2.1519 2.1519 2.3214 2.3214 2.5090 2.5090 2.6516 2.6516 2.8062 2.8062 3.3190 3.3190 3.4729 3.4729 3.7390 3.7390 3.7905 3.7905 3.9967 3.9967 4.1342 4.1343 4.2420 4.2420 4.2914 4.2914 5.0967 5.0967 5.6501 5.6501 6.4820 6.4820 6.5427 6.5427 7.7041 7.7041 8.9625 8.9625 9.9409 9.9409 9.9559 9.9559 10.0633 10.0633 10.7644 10.7644 11.9772 11.9772 k = 0.2667 0.2015 0.0000 ( 6827 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7507 -14.7507 -14.7107 -14.7107 -6.7834 -6.7834 -5.9727 -5.9727 -5.8531 -5.8531 -5.8433 -5.8433 -0.8580 -0.8580 -0.0498 -0.0498 -0.0307 -0.0307 0.2454 0.2454 0.3121 0.3121 0.3598 0.3598 1.2019 1.2019 1.7946 1.7946 1.9190 1.9190 2.0639 2.0639 2.1526 2.1526 2.3179 2.3179 2.5266 2.5266 2.6450 2.6450 2.8054 2.8054 3.3178 3.3178 3.4825 3.4825 3.7588 3.7588 3.8070 3.8070 4.0288 4.0288 4.1098 4.1098 4.2721 4.2721 4.3137 4.3137 5.1306 5.1306 5.5908 5.5908 6.4440 6.4440 6.5076 6.5076 7.7472 7.7472 8.9611 8.9611 9.8711 9.8711 9.9555 9.9555 9.9932 9.9932 10.7870 10.7870 11.9546 11.9546 k = 0.2833 0.2141 0.0000 ( 6850 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7507 -14.7507 -14.7107 -14.7107 -6.7657 -6.7657 -5.9944 -5.9944 -5.8533 -5.8533 -5.8441 -5.8441 -0.8695 -0.8695 -0.0513 -0.0513 -0.0311 -0.0311 0.2443 0.2443 0.3105 0.3105 0.3598 0.3598 1.1891 1.1891 1.7856 1.7856 1.9136 1.9136 2.0916 2.0916 2.1611 2.1611 2.3162 2.3162 2.5461 2.5461 2.6391 2.6391 2.8045 2.8045 3.3167 3.3167 3.4914 3.4914 3.7775 3.7775 3.8248 3.8248 4.0353 4.0353 4.1065 4.1065 4.3021 4.3021 4.3393 4.3393 5.1641 5.1641 5.5332 5.5332 6.4061 6.4061 6.4726 6.4726 7.7867 7.7867 8.9586 8.9586 9.8025 9.8025 9.9081 9.9081 9.9721 9.9721 10.8132 10.8132 11.9328 11.9328 k = 0.3000 0.2267 0.0000 ( 6850 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7671 -14.7671 -14.7507 -14.7507 -14.7107 -14.7107 -6.7473 -6.7473 -6.0166 -6.0166 -5.8534 -5.8534 -5.8448 -5.8448 -0.8805 -0.8805 -0.0528 -0.0528 -0.0314 -0.0314 0.2433 0.2433 0.3091 0.3091 0.3599 0.3599 1.1771 1.1771 1.7769 1.7769 1.9073 1.9073 2.1039 2.1039 2.1812 2.1812 2.3174 2.3174 2.5678 2.5678 2.6350 2.6350 2.8038 2.8038 3.3156 3.3156 3.4994 3.4994 3.7942 3.7942 3.8433 3.8433 4.0073 4.0073 4.1365 4.1365 4.3319 4.3319 4.3661 4.3661 5.1970 5.1970 5.4774 5.4774 6.3687 6.3687 6.4379 6.4379 7.8227 7.8227 8.9551 8.9551 9.7360 9.7360 9.8392 9.8392 9.9750 9.9750 10.8430 10.8430 11.9122 11.9122 k = 0.3167 0.2393-0.0000 ( 6842 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.7285 -6.7285 -6.0391 -6.0391 -5.8536 -5.8536 -5.8455 -5.8455 -0.8909 -0.8909 -0.0543 -0.0543 -0.0316 -0.0316 0.2423 0.2423 0.3077 0.3077 0.3600 0.3600 1.1660 1.1660 1.7688 1.7688 1.9009 1.9009 2.1056 2.1056 2.2051 2.2051 2.3225 2.3225 2.5890 2.5890 2.6357 2.6357 2.8036 2.8036 3.3147 3.3147 3.5065 3.5065 3.8064 3.8064 3.8611 3.8611 3.9731 3.9731 4.1756 4.1756 4.3609 4.3609 4.3928 4.3928 5.2286 5.2286 5.4237 5.4237 6.3321 6.3321 6.4041 6.4041 7.8552 7.8552 8.9506 8.9506 9.6725 9.6725 9.7721 9.7721 9.9788 9.9788 10.8763 10.8763 11.8929 11.8929 k = 0.3333 0.2519-0.0000 ( 6858 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.7093 -6.7093 -6.0619 -6.0619 -5.8537 -5.8537 -5.8462 -5.8462 -0.9006 -0.9006 -0.0558 -0.0558 -0.0319 -0.0319 0.2413 0.2413 0.3063 0.3063 0.3600 0.3600 1.1557 1.1557 1.7611 1.7611 1.8946 1.8946 2.1034 2.1034 2.2244 2.2244 2.3322 2.3322 2.6012 2.6012 2.6503 2.6503 2.8046 2.8046 3.3136 3.3136 3.5128 3.5128 3.8076 3.8076 3.8762 3.8762 3.9475 3.9475 4.2166 4.2166 4.3889 4.3889 4.4187 4.4187 5.2578 5.2578 5.3727 5.3727 6.2966 6.2966 6.3713 6.3713 7.8844 7.8844 8.9454 8.9454 9.6124 9.6124 9.7084 9.7084 9.9821 9.9821 10.9127 10.9127 11.8747 11.8747 k = 0.3500 0.2645-0.0000 ( 6858 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.6900 -6.6900 -6.0845 -6.0845 -5.8538 -5.8538 -5.8468 -5.8468 -0.9095 -0.9095 -0.0571 -0.0571 -0.0321 -0.0321 0.2403 0.2403 0.3050 0.3050 0.3601 0.3601 1.1464 1.1464 1.7540 1.7540 1.8886 1.8886 2.0997 2.0997 2.2368 2.2368 2.3456 2.3456 2.6025 2.6025 2.6797 2.6797 2.8080 2.8080 3.3127 3.3127 3.5181 3.5181 3.7880 3.7880 3.8884 3.8884 3.9418 3.9418 4.2583 4.2583 4.4156 4.4156 4.4434 4.4434 5.2794 5.2794 5.3296 5.3296 6.2629 6.2629 6.3401 6.3401 7.9104 7.9104 8.9395 8.9395 9.5565 9.5565 9.6490 9.6490 9.9847 9.9847 10.9518 10.9518 11.8575 11.8575 k = 0.3667 0.2771-0.0000 ( 6862 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.6707 -6.6707 -6.1069 -6.1069 -5.8539 -5.8539 -5.8475 -5.8475 -0.9177 -0.9177 -0.0584 -0.0584 -0.0323 -0.0323 0.2394 0.2394 0.3038 0.3038 0.3602 0.3602 1.1380 1.1380 1.7475 1.7475 1.8830 1.8830 2.0955 2.0955 2.2436 2.2436 2.3604 2.3604 2.6000 2.6000 2.7134 2.7134 2.8173 2.8173 3.3119 3.3119 3.5227 3.5227 3.7486 3.7486 3.9011 3.9011 3.9511 3.9511 4.2997 4.2997 4.4407 4.4407 4.4665 4.4665 5.2610 5.2610 5.3264 5.3264 6.2312 6.2312 6.3108 6.3108 7.9333 7.9333 8.9333 8.9333 9.5052 9.5052 9.5944 9.5944 9.9864 9.9864 10.9930 10.9930 11.8409 11.8409 k = 0.3833 0.2897 0.0000 ( 6862 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.6518 -6.6518 -6.1287 -6.1287 -5.8539 -5.8539 -5.8481 -5.8481 -0.9250 -0.9250 -0.0597 -0.0597 -0.0325 -0.0325 0.2386 0.2386 0.3028 0.3028 0.3603 0.3603 1.1306 1.1306 1.7418 1.7418 1.8779 1.8779 2.0913 2.0913 2.2472 2.2472 2.3742 2.3742 2.5968 2.5968 2.7409 2.7409 2.8393 2.8393 3.3111 3.3111 3.5263 3.5263 3.6987 3.6987 3.9149 3.9149 3.9656 3.9656 4.3402 4.3402 4.4639 4.4639 4.4875 4.4875 5.2188 5.2188 5.3471 5.3471 6.2020 6.2020 6.2839 6.2839 7.9532 7.9532 8.9269 8.9269 9.4589 9.4589 9.5450 9.5450 9.9871 9.9871 11.0354 11.0354 11.8246 11.8246 k = 0.4000 0.3022-0.0000 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.6335 -6.6335 -6.1495 -6.1495 -5.8539 -5.8539 -5.8487 -5.8487 -0.9314 -0.9314 -0.0608 -0.0608 -0.0327 -0.0327 0.2378 0.2378 0.3019 0.3019 0.3603 0.3603 1.1242 1.1242 1.7367 1.7367 1.8734 1.8734 2.0874 2.0874 2.2489 2.2489 2.3860 2.3860 2.5936 2.5936 2.7562 2.7562 2.8785 2.8785 3.3103 3.3103 3.5288 3.5288 3.6437 3.6437 3.9287 3.9287 3.9808 3.9808 4.3792 4.3792 4.4848 4.4848 4.5064 4.5064 5.1762 5.1762 5.3682 5.3682 6.1757 6.1757 6.2595 6.2595 7.9703 7.9703 8.9207 8.9207 9.4181 9.4181 9.5013 9.5013 9.9872 9.9872 11.0779 11.0779 11.8086 11.8086 k = 0.4167 0.3148-0.0000 ( 6886 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.6163 -6.6163 -6.1689 -6.1689 -5.8539 -5.8539 -5.8492 -5.8492 -0.9369 -0.9369 -0.0617 -0.0617 -0.0329 -0.0329 0.2371 0.2371 0.3011 0.3011 0.3602 0.3602 1.1188 1.1188 1.7323 1.7323 1.8695 1.8695 2.0838 2.0838 2.2497 2.2497 2.3957 2.3957 2.5907 2.5907 2.7629 2.7629 2.9300 2.9300 3.3093 3.3093 3.5284 3.5284 3.5876 3.5876 3.9415 3.9415 3.9950 3.9950 4.4159 4.4159 4.5032 4.5032 4.5227 4.5227 5.1363 5.1363 5.3870 5.3870 6.1526 6.1526 6.2382 6.2382 7.9846 7.9846 8.9150 8.9150 9.3830 9.3830 9.4637 9.4637 9.9866 9.9866 11.1190 11.1190 11.7927 11.7927 k = 0.4333 0.3274 0.0000 ( 6882 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.6007 -6.6007 -6.1862 -6.1862 -5.8538 -5.8538 -5.8497 -5.8497 -0.9414 -0.9414 -0.0625 -0.0625 -0.0330 -0.0330 0.2365 0.2365 0.3004 0.3004 0.3603 0.3603 1.1143 1.1143 1.7287 1.7287 1.8662 1.8662 2.0808 2.0808 2.2500 2.2500 2.4032 2.4032 2.5883 2.5883 2.7658 2.7658 2.9880 2.9880 3.3081 3.3081 3.5099 3.5099 3.5476 3.5476 3.9527 3.9527 4.0073 4.0073 4.4492 4.4492 4.5190 4.5190 4.5363 4.5363 5.1002 5.1002 5.4029 5.4029 6.1332 6.1332 6.2203 6.2203 7.9962 7.9962 8.9099 8.9099 9.3540 9.3540 9.4324 9.4324 9.9857 9.9857 11.1573 11.1573 11.7773 11.7773 k = 0.4500 0.3400-0.0000 ( 6878 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5875 -6.5875 -6.2009 -6.2009 -5.8537 -5.8537 -5.8500 -5.8500 -0.9449 -0.9449 -0.0632 -0.0632 -0.0330 -0.0330 0.2361 0.2361 0.2999 0.2999 0.3603 0.3603 1.1109 1.1109 1.7260 1.7260 1.8637 1.8637 2.0784 2.0784 2.2500 2.2500 2.4088 2.4088 2.5864 2.5864 2.7670 2.7670 3.0494 3.0494 3.3060 3.3060 3.4564 3.4564 3.5416 3.5416 3.9619 3.9619 4.0173 4.0173 4.4776 4.4776 4.5319 4.5319 4.5471 4.5471 5.0694 5.0694 5.4155 5.4155 6.1178 6.1178 6.2061 6.2061 8.0051 8.0051 8.9057 8.9057 9.3313 9.3313 9.4078 9.4078 9.9847 9.9847 11.1905 11.1905 11.7632 11.7632 k = 0.4667 0.3526-0.0000 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5772 -6.5772 -6.2121 -6.2121 -5.8537 -5.8537 -5.8503 -5.8503 -0.9475 -0.9475 -0.0636 -0.0636 -0.0331 -0.0331 0.2358 0.2358 0.2995 0.2995 0.3604 0.3604 1.1084 1.1084 1.7240 1.7240 1.8619 1.8619 2.0766 2.0766 2.2500 2.2500 2.4127 2.4127 2.5850 2.5850 2.7676 2.7676 3.1122 3.1122 3.3009 3.3009 3.3995 3.3995 3.5413 3.5413 3.9687 3.9687 4.0247 4.0247 4.4996 4.4996 4.5416 4.5416 4.5548 4.5548 5.0455 5.0455 5.4247 5.4247 6.1065 6.1065 6.1957 6.1957 8.0115 8.0115 8.9025 8.9025 9.3150 9.3150 9.3901 9.3901 9.9838 9.9838 11.2167 11.2167 11.7515 11.7515 k = 0.4833 0.3652 0.0000 ( 6870 PWs) bands (ev): -15.7914 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5707 -6.5707 -6.2193 -6.2193 -5.8536 -5.8536 -5.8505 -5.8505 -0.9490 -0.9490 -0.0639 -0.0639 -0.0331 -0.0331 0.2356 0.2356 0.2993 0.2993 0.3604 0.3604 1.1069 1.1069 1.7227 1.7227 1.8608 1.8608 2.0755 2.0755 2.2500 2.2500 2.4150 2.4150 2.5841 2.5841 2.7678 2.7678 3.1742 3.1742 3.2833 3.2833 3.3552 3.3552 3.5415 3.5415 3.9728 3.9728 4.0292 4.0292 4.5134 4.5134 4.5480 4.5480 4.5595 4.5595 5.0301 5.0301 5.4303 5.4303 6.0997 6.0997 6.1894 6.1894 8.0153 8.0153 8.9005 8.9005 9.3051 9.3051 9.3794 9.3794 9.9832 9.9832 11.2335 11.2335 11.7437 11.7437 k = 0.5000 0.3778 0.0000 ( 6862 PWs) bands (ev): -15.7914 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5685 -6.5685 -6.2217 -6.2217 -5.8536 -5.8536 -5.8506 -5.8506 -0.9495 -0.9495 -0.0640 -0.0640 -0.0331 -0.0331 0.2355 0.2355 0.2992 0.2992 0.3604 0.3604 1.1064 1.1064 1.7223 1.7223 1.8604 1.8604 2.0752 2.0752 2.2500 2.2500 2.4157 2.4157 2.5839 2.5839 2.7679 2.7679 3.2207 3.2207 3.2509 3.2509 3.3410 3.3410 3.5417 3.5417 3.9742 3.9742 4.0308 4.0308 4.5181 4.5181 4.5502 4.5502 4.5610 4.5610 5.0248 5.0248 5.4321 5.4321 6.0974 6.0974 6.1873 6.1873 8.0166 8.0166 8.8999 8.8999 9.3019 9.3019 9.3758 9.3758 9.9830 9.9830 11.2394 11.2394 11.7409 11.7409 k = 0.5000 0.3778 0.0000 ( 6862 PWs) bands (ev): -15.7914 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5685 -6.5685 -6.2217 -6.2217 -5.8536 -5.8536 -5.8506 -5.8506 -0.9495 -0.9495 -0.0640 -0.0640 -0.0331 -0.0331 0.2355 0.2355 0.2992 0.2992 0.3604 0.3604 1.1064 1.1064 1.7223 1.7223 1.8604 1.8604 2.0752 2.0752 2.2500 2.2500 2.4157 2.4157 2.5839 2.5839 2.7679 2.7679 3.2207 3.2207 3.2509 3.2509 3.3410 3.3410 3.5417 3.5417 3.9742 3.9742 4.0308 4.0308 4.5181 4.5181 4.5502 4.5502 4.5610 4.5610 5.0248 5.0248 5.4321 5.4321 6.0974 6.0974 6.1873 6.1873 8.0166 8.0166 8.8999 8.8999 9.3019 9.3019 9.3758 9.3758 9.9830 9.9830 11.2394 11.2394 11.7409 11.7409 k = 0.4911 0.3896 0.0148 ( 6868 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5683 -6.5679 -6.2215 -6.2213 -5.8542 -5.8539 -5.8512 -5.8507 -0.9497 -0.9482 -0.0646 -0.0636 -0.0368 -0.0288 0.2335 0.2376 0.2976 0.3009 0.3572 0.3638 1.1065 1.1072 1.7205 1.7240 1.8601 1.8604 2.0678 2.0792 2.2459 2.2529 2.4105 2.4211 2.5793 2.5902 2.7623 2.7738 3.2115 3.2297 3.2512 3.2522 3.3396 3.3408 3.5228 3.5572 3.9627 3.9792 4.0300 4.0330 4.5089 4.5239 4.5407 4.5573 4.5605 4.5637 5.0270 5.0346 5.4301 5.4320 6.0905 6.1024 6.1856 6.1875 8.0171 8.0180 8.8966 8.9096 9.3004 9.3078 9.3768 9.3799 9.9843 9.9846 11.2395 11.2476 11.7386 11.7437 k = 0.4821 0.4015 0.0296 ( 6868 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5672 -6.5666 -6.2206 -6.2202 -5.8564 -5.8562 -5.8519 -5.8507 -0.9487 -0.9458 -0.0653 -0.0633 -0.0397 -0.0240 0.2317 0.2398 0.2962 0.3027 0.3540 0.3672 1.1075 1.1088 1.7185 1.7256 1.8594 1.8601 2.0574 2.0800 2.2408 2.2549 2.4055 2.4265 2.5769 2.5981 2.7571 2.7803 3.2028 3.2358 3.2541 3.2550 3.3371 3.3383 3.5018 3.5684 3.9455 3.9788 4.0313 4.0343 4.4977 4.5247 4.5297 4.5608 4.5632 4.5694 5.0406 5.0553 5.4263 5.4299 6.0823 6.1036 6.1843 6.1858 8.0194 8.0212 8.8997 8.9258 9.3036 9.3172 9.3827 9.3901 9.9886 9.9892 11.2480 11.2641 11.7367 11.7470 k = 0.4732 0.4133 0.0444 ( 6884 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5653 -6.5644 -6.2191 -6.2185 -5.8607 -5.8605 -5.8523 -5.8502 -0.9467 -0.9424 -0.0660 -0.0635 -0.0418 -0.0187 0.2300 0.2421 0.2950 0.3045 0.3509 0.3707 1.1092 1.1112 1.7162 1.7270 1.8583 1.8596 2.0444 2.0775 2.2347 2.2555 2.4009 2.4317 2.5765 2.6069 2.7522 2.7873 3.1949 3.2368 3.2563 3.2637 3.3331 3.3349 3.4800 3.5748 3.9242 3.9741 4.0320 4.0336 4.4852 4.5136 4.5261 4.5625 4.5689 4.5776 5.0639 5.0853 5.4206 5.4257 6.0721 6.0980 6.1828 6.1863 8.0235 8.0261 8.9092 8.9482 9.3108 9.3279 9.3940 9.4081 9.9957 9.9966 11.2648 11.2888 11.7351 11.7506 k = 0.4643 0.4251 0.0593 ( 6884 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5626 -6.5614 -6.2170 -6.2162 -5.8669 -5.8668 -5.8523 -5.8495 -0.9436 -0.9379 -0.0667 -0.0639 -0.0431 -0.0130 0.2285 0.2444 0.2940 0.3064 0.3479 0.3743 1.1118 1.1144 1.7137 1.7283 1.8568 1.8591 2.0294 2.0722 2.2277 2.2549 2.3967 2.4364 2.5779 2.6160 2.7476 2.7945 3.1876 3.2340 3.2586 3.2744 3.3248 3.3348 3.4592 3.5761 3.9001 3.9652 4.0254 4.0363 4.4722 4.4999 4.5235 4.5665 4.5753 4.5876 5.0949 5.1223 5.4135 5.4197 6.0588 6.0843 6.1798 6.1934 8.0291 8.0325 8.9248 8.9768 9.3206 9.3387 9.4120 9.4354 10.0056 10.0068 11.2897 11.3215 11.7335 11.7545 k = 0.4553 0.4369 0.0741 ( 6886 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5591 -6.5576 -6.2143 -6.2132 -5.8750 -5.8748 -5.8521 -5.8486 -0.9394 -0.9324 -0.0672 -0.0646 -0.0436 -0.0070 0.2272 0.2469 0.2932 0.3084 0.3450 0.3780 1.1153 1.1186 1.7108 1.7294 1.8550 1.8587 2.0128 2.0646 2.2197 2.2530 2.3931 2.4407 2.5806 2.6249 2.7431 2.8017 3.1809 3.2275 3.2607 3.2844 3.3125 3.3389 3.4414 3.5727 3.8738 3.9504 4.0159 4.0388 4.4589 4.4878 4.5197 4.5734 4.5835 4.5991 5.1312 5.1644 5.4053 5.4123 6.0412 6.0631 6.1784 6.2050 8.0361 8.0403 8.9464 9.0113 9.3317 9.3493 9.4379 9.4720 10.0181 10.0196 11.3226 11.3621 11.7318 11.7584 k = 0.4464 0.4487 0.0889 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5549 -6.5531 -6.2109 -6.2096 -5.8847 -5.8845 -5.8517 -5.8476 -0.9343 -0.9259 -0.0677 -0.0653 -0.0434 -0.0008 0.2261 0.2494 0.2927 0.3103 0.3422 0.3816 1.1197 1.1237 1.7075 1.7302 1.8530 1.8586 1.9953 2.0550 2.2108 2.2499 2.3899 2.4444 2.5843 2.6330 2.7387 2.8079 3.1748 3.2171 3.2625 3.2926 3.2960 3.3486 3.4283 3.5654 3.8453 3.9277 4.0056 4.0409 4.4455 4.4785 4.5145 4.5825 4.5949 4.6125 5.1709 5.2097 5.3966 5.4038 6.0188 6.0362 6.1796 6.2196 8.0443 8.0492 8.9737 9.0513 9.3434 9.3601 9.4722 9.5171 10.0330 10.0347 11.3632 11.4102 11.7295 11.7620 k = 0.4375 0.4606 0.1037 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5499 -6.5478 -6.2069 -6.2054 -5.8961 -5.8959 -5.8512 -5.8465 -0.9283 -0.9185 -0.0681 -0.0660 -0.0428 0.0055 0.2253 0.2520 0.2926 0.3123 0.3395 0.3853 1.1250 1.1297 1.7037 1.7306 1.8509 1.8588 1.9771 2.0440 2.2009 2.2455 2.3871 2.4473 2.5886 2.6400 2.7340 2.8122 3.1690 3.2026 3.2641 3.2758 3.2995 3.3623 3.4207 3.5559 3.8145 3.8970 3.9957 4.0424 4.4320 4.4725 4.5080 4.5933 4.6103 4.6285 5.2121 5.2567 5.3878 5.3945 5.9915 6.0053 6.1835 6.2363 8.0533 8.0588 9.0062 9.0966 9.3554 9.3717 9.5146 9.5699 10.0501 10.0520 11.4112 11.4656 11.7264 11.7650 k = 0.4285 0.4724 0.1185 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5442 -6.5418 -6.2024 -6.2007 -5.9090 -5.9087 -5.8506 -5.8452 -0.9214 -0.9104 -0.0683 -0.0665 -0.0419 0.0118 0.2248 0.2547 0.2927 0.3142 0.3368 0.3888 1.1313 1.1366 1.6993 1.7304 1.8489 1.8595 1.9588 2.0322 2.1902 2.2402 2.3847 2.4494 2.5934 2.6455 2.7288 2.8131 3.1636 3.1844 3.2514 3.2676 3.3062 3.3771 3.4183 3.5471 3.7812 3.8594 3.9861 4.0433 4.4182 4.4693 4.5002 4.6061 4.6294 4.6475 5.2531 5.3039 5.3795 5.3852 5.9603 5.9719 6.1899 6.2541 8.0629 8.0690 9.0435 9.1465 9.3683 9.3846 9.5647 9.6297 10.0691 10.0711 11.4663 11.5278 11.7218 11.7669 k = 0.4196 0.4842 0.1333 ( 6884 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5378 -6.5352 -6.1972 -6.1953 -5.9233 -5.9230 -5.8499 -5.8438 -0.9137 -0.9015 -0.0685 -0.0666 -0.0409 0.0181 0.2244 0.2575 0.2931 0.3161 0.3342 0.3924 1.1385 1.1446 1.6944 1.7296 1.8472 1.8608 1.9407 2.0198 2.1787 2.2340 2.3827 2.4507 2.5986 2.6496 2.7228 2.8091 3.1582 3.1631 3.2265 3.2717 3.3129 3.3889 3.4206 3.5427 3.7457 3.8167 3.9762 4.0437 4.4041 4.4665 4.4936 4.6216 4.6512 4.6700 5.2916 5.3487 5.3727 5.3771 5.9264 5.9374 6.1981 6.2723 8.0729 8.0795 9.0851 9.2004 9.3825 9.3992 9.6218 9.6958 10.0896 10.0918 11.5280 11.5965 11.7154 11.7670 k = 0.4107 0.4960 0.1481 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7507 -14.7506 -14.7107 -14.7107 -6.5309 -6.5280 -6.1916 -6.1894 -5.9389 -5.9386 -5.8490 -5.8423 -0.9052 -0.8920 -0.0684 -0.0664 -0.0396 0.0243 0.2244 0.2606 0.2939 0.3180 0.3318 0.3958 1.1467 1.1535 1.6890 1.7278 1.8460 1.8628 1.9231 2.0073 2.1665 2.2269 2.3810 2.4512 2.6042 2.6522 2.7158 2.7993 3.1392 3.1513 3.2022 3.2781 3.3196 3.3937 3.4268 3.5470 3.7085 3.7704 3.9654 4.0436 4.3893 4.4584 4.4931 4.6405 4.6749 4.6962 5.3242 5.3647 5.3694 5.3956 5.8917 5.9039 6.2076 6.2904 8.0830 8.0900 9.1302 9.2571 9.3992 9.4160 9.6851 9.7676 10.1114 10.1138 11.5958 11.6711 11.7068 11.7649 k = 0.4018 0.5078 0.1630 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7507 -14.7506 -14.7107 -14.7107 -6.5234 -6.5203 -6.1853 -6.1830 -5.9557 -5.9553 -5.8480 -5.8407 -0.8962 -0.8820 -0.0682 -0.0658 -0.0383 0.0302 0.2247 0.2639 0.2949 0.3197 0.3293 0.3990 1.1560 1.1635 1.6830 1.7251 1.8454 1.8654 1.9062 1.9950 2.1537 2.2191 2.3796 2.4509 2.6102 2.6529 2.7078 2.7833 3.1133 3.1384 3.1834 3.2869 3.3258 3.3899 3.4366 3.5606 3.6714 3.7218 3.9536 4.0429 4.3739 4.4437 4.4997 4.6628 4.7000 4.7260 5.3430 5.3582 5.3753 5.4322 5.8587 5.8737 6.2176 6.3078 8.0930 8.1003 9.1781 9.3141 9.4204 9.4354 9.7539 9.8447 10.1341 10.1365 11.6689 11.6959 11.7508 11.7600 k = 0.3928 0.5197 0.1778 ( 6866 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7508 -14.7506 -14.7107 -14.7107 -6.5155 -6.5121 -6.1786 -6.1761 -5.9735 -5.9731 -5.8469 -5.8391 -0.8866 -0.8715 -0.0679 -0.0647 -0.0368 0.0357 0.2253 0.2675 0.2961 0.3215 0.3271 0.4020 1.1664 1.1746 1.6766 1.7214 1.8454 1.8688 1.8906 1.9832 2.1405 2.2108 2.3782 2.4499 2.6167 2.6511 2.6997 2.7614 3.0857 3.1155 3.1737 3.2976 3.3312 3.3794 3.4501 3.5756 3.6415 3.6721 3.9406 4.0416 4.3579 4.4250 4.5109 4.6884 4.7264 4.7594 5.3476 5.3527 5.3885 5.4606 5.8309 5.8498 6.2276 6.3240 8.1028 8.1103 9.2275 9.3654 9.4518 9.4584 9.8276 9.9263 10.1572 10.1597 11.6812 11.7479 11.7512 11.8358 k = 0.3839 0.5315 0.1926 ( 6866 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7508 -14.7506 -14.7107 -14.7107 -6.5072 -6.5036 -6.1714 -6.1687 -5.9922 -5.9917 -5.8457 -5.8373 -0.8765 -0.8607 -0.0674 -0.0633 -0.0354 0.0407 0.2261 0.2715 0.2975 0.3231 0.3249 0.4048 1.1779 1.1868 1.6698 1.7165 1.8453 1.8728 1.8770 1.9721 2.1270 2.2019 2.3770 2.4484 2.6235 2.6451 2.6930 2.7346 3.0567 3.0859 3.1695 3.3088 3.3349 3.3652 3.4672 3.5649 3.6223 3.6440 3.9265 4.0397 4.3412 4.4034 4.5249 4.7168 4.7542 4.7961 5.3490 5.3494 5.3947 5.4753 5.8132 5.8352 6.2370 6.3384 8.1121 8.1197 9.2769 9.4034 9.4860 9.5007 9.9054 10.0119 10.1806 10.1830 11.6645 11.7391 11.8304 11.9245 k = 0.3750 0.5433 0.2074 ( 6880 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7508 -14.7506 -14.7107 -14.7107 -6.4986 -6.4948 -6.1638 -6.1609 -6.0116 -6.0110 -5.8444 -5.8355 -0.8661 -0.8497 -0.0668 -0.0615 -0.0338 0.0451 0.2272 0.2757 0.2990 0.3229 0.3246 0.4072 1.1906 1.2001 1.6627 1.7107 1.8430 1.8676 1.8773 1.9621 2.1131 2.1924 2.3758 2.4465 2.6306 2.6337 2.6893 2.7041 3.0266 3.0529 3.1668 3.3191 3.3344 3.3509 3.4867 3.5321 3.5751 3.6743 3.9113 4.0373 4.3241 4.3798 4.5412 4.7468 4.7842 4.8359 5.3477 5.3524 5.3884 5.4724 5.8093 5.8318 6.2450 6.3506 8.1209 8.1285 9.3245 9.4304 9.5195 9.5641 9.9864 10.1008 10.2037 10.2061 11.6454 11.7234 11.9163 12.0161 k = 0.3660 0.5551 0.2222 ( 6882 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7506 -14.7107 -14.7107 -6.4900 -6.4860 -6.1557 -6.1526 -6.0313 -6.0307 -5.8430 -5.8336 -0.8554 -0.8386 -0.0661 -0.0595 -0.0321 0.0488 0.2287 0.2802 0.3008 0.3214 0.3260 0.4092 1.2045 1.2147 1.6555 1.7040 1.8361 1.8651 1.8822 1.9534 2.0992 2.1826 2.3745 2.4445 2.6173 2.6370 2.6718 2.6885 2.9960 3.0180 3.1640 3.3211 3.3268 3.3450 3.4953 3.4969 3.5451 3.7127 3.8950 4.0343 4.3070 4.3545 4.5592 4.7768 4.8176 4.8786 5.3489 5.3544 5.3725 5.4522 5.8193 5.8392 6.2513 6.3600 8.1292 8.1366 9.3684 9.4531 9.5602 9.6348 10.0697 10.1921 10.2265 10.2286 11.6246 11.7046 12.0046 12.1093 k = 0.3571 0.5669 0.2370 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7107 -14.7107 -6.4815 -6.4774 -6.1472 -6.1439 -6.0513 -6.0505 -5.8415 -5.8316 -0.8444 -0.8275 -0.0651 -0.0572 -0.0302 0.0518 0.2304 0.2845 0.3029 0.3203 0.3274 0.4108 1.2196 1.2303 1.6481 1.6967 1.8264 1.8677 1.8873 1.9464 2.0852 2.1725 2.3730 2.4425 2.5971 2.6291 2.6523 2.6897 2.9650 2.9816 3.1599 3.2983 3.3308 3.3434 3.4645 3.4650 3.5617 3.7544 3.8778 4.0309 4.2900 4.3281 4.5787 4.8053 4.8553 4.9241 5.3324 5.3519 5.3729 5.4196 5.8392 5.8547 6.2553 6.3663 8.1367 8.1439 9.4077 9.4747 9.6086 9.7090 10.1536 10.2485 10.2489 10.2869 11.6032 11.6834 12.0938 12.2013 k = 0.3482 0.5788 0.2519 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7107 -14.7106 -6.4734 -6.4691 -6.1383 -6.1349 -6.0710 -6.0701 -5.8399 -5.8296 -0.8334 -0.8164 -0.0641 -0.0549 -0.0279 0.0538 0.2324 0.2879 0.3057 0.3199 0.3286 0.4120 1.2360 1.2471 1.6408 1.6889 1.8164 1.8727 1.8918 1.9418 2.0713 2.1620 2.3712 2.4407 2.5744 2.5958 2.6575 2.6921 2.9342 2.9443 3.1537 3.2696 3.3293 3.3413 3.4262 3.4383 3.5949 3.7978 3.8596 4.0270 4.2734 4.3011 4.5996 4.8320 4.8972 4.9720 5.2941 5.3494 5.3851 5.3869 5.8642 5.8753 6.2565 6.3690 8.1436 8.1505 9.4426 9.4961 9.6635 9.7849 10.2327 10.2685 10.2753 10.3811 11.5823 11.6610 12.1820 12.2822 k = 0.3392 0.5906 0.2667 ( 6872 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4659 -6.4616 -6.1292 -6.1255 -6.0903 -6.0891 -5.8383 -5.8276 -0.8223 -0.8055 -0.0629 -0.0526 -0.0253 0.0551 0.2347 0.2897 0.3099 0.3204 0.3297 0.4125 1.2536 1.2651 1.6336 1.6807 1.8073 1.8791 1.8953 1.9402 2.0577 2.1512 2.3689 2.4390 2.5500 2.5597 2.6653 2.6951 2.9039 2.9062 3.1441 3.2356 3.3190 3.3387 3.3960 3.4172 3.6329 3.8407 3.8420 4.0225 4.2577 4.2737 4.6218 4.8571 4.9427 5.0222 5.2501 5.3149 5.3840 5.4017 5.8907 5.8981 6.2545 6.3676 8.1497 8.1562 9.4742 9.5178 9.7232 9.8613 10.2760 10.2864 10.3348 10.4756 11.5634 11.6384 12.2657 12.3353 k = 0.3303 0.6024 0.2815 ( 6866 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4595 -6.4552 -6.1201 -6.1159 -6.1085 -6.1067 -5.8366 -5.8255 -0.8113 -0.7949 -0.0616 -0.0505 -0.0221 0.0555 0.2373 0.2897 0.3149 0.3222 0.3307 0.4126 1.2724 1.2841 1.6266 1.6724 1.7993 1.8866 1.8973 1.9423 2.0442 2.1402 2.3658 2.4374 2.5237 2.5246 2.6733 2.6983 2.8676 2.8749 3.1299 3.1975 3.2986 3.3359 3.3787 3.4004 3.6734 3.8208 3.8859 4.0174 4.2429 4.2467 4.6453 4.8803 4.9907 5.0744 5.2037 5.2646 5.3972 5.4222 5.9165 5.9209 6.2489 6.3620 8.1552 8.1612 9.5035 9.5398 9.7859 9.9369 10.2952 10.3022 10.4141 10.5688 11.5477 11.6168 12.3357 12.3715 k = 0.3214 0.6142 0.2963 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4546 -6.4504 -6.1252 -6.1242 -6.1092 -6.1060 -5.8348 -5.8234 -0.8003 -0.7846 -0.0603 -0.0487 -0.0184 0.0550 0.2400 0.2885 0.3190 0.3266 0.3315 0.4120 1.2923 1.3040 1.6200 1.6641 1.7927 1.8948 1.8980 1.9476 2.0311 2.1289 2.3618 2.4356 2.4889 2.4988 2.6811 2.7012 2.8289 2.8477 3.1097 3.1567 3.2739 3.3332 3.3705 3.3864 3.7152 3.8003 3.9288 4.0115 4.2206 4.2294 4.6703 4.9008 5.0396 5.1282 5.1591 5.2107 5.4158 5.4463 5.9399 5.9421 6.2395 6.3518 8.1599 8.1655 9.5314 9.5622 9.8497 10.0108 10.3097 10.3159 10.4916 10.6589 11.5370 11.5978 12.3769 12.3947 k = 0.3214 0.6142 0.2963 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4546 -6.4504 -6.1252 -6.1242 -6.1092 -6.1060 -5.8348 -5.8234 -0.8003 -0.7846 -0.0603 -0.0487 -0.0184 0.0550 0.2400 0.2885 0.3190 0.3266 0.3315 0.4120 1.2923 1.3040 1.6200 1.6641 1.7927 1.8948 1.8980 1.9476 2.0311 2.1289 2.3618 2.4356 2.4889 2.4988 2.6811 2.7012 2.8289 2.8477 3.1097 3.1567 3.2739 3.3332 3.3705 3.3864 3.7152 3.8003 3.9288 4.0115 4.2206 4.2294 4.6703 4.9008 5.0396 5.1282 5.1591 5.2107 5.4158 5.4463 5.9399 5.9421 6.2395 6.3518 8.1599 8.1655 9.5314 9.5622 9.8497 10.0108 10.3097 10.3159 10.4916 10.6589 11.5370 11.5978 12.3769 12.3947 k = 0.3025 0.6087 0.3033 ( 6877 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4537 -6.4496 -6.1343 -6.1323 -6.1024 -6.0983 -5.8341 -5.8225 -0.7951 -0.7798 -0.0598 -0.0480 -0.0165 0.0545 0.2413 0.2876 0.3203 0.3296 0.3318 0.4115 1.3024 1.3141 1.6176 1.6608 1.7905 1.8980 1.8992 1.9511 2.0252 2.1236 2.3586 2.4282 2.4719 2.4892 2.6845 2.7017 2.8116 2.8368 3.0983 3.1376 3.2596 3.3192 3.3761 3.3878 3.7349 3.7911 3.9477 4.0085 4.2083 4.2232 4.6836 4.9092 5.0606 5.1407 5.1542 5.1873 5.4262 5.4597 5.9448 5.9474 6.2381 6.3479 8.1612 8.1665 9.5464 9.5753 9.8801 10.0441 10.3154 10.3213 10.5269 10.6991 11.5342 11.5901 12.3828 12.3995 k = 0.2836 0.6031 0.3102 ( 6874 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4546 -6.4507 -6.1438 -6.1417 -6.0923 -6.0875 -5.8337 -5.8220 -0.7895 -0.7746 -0.0594 -0.0472 -0.0142 0.0539 0.2425 0.2866 0.3214 0.3320 0.3333 0.4109 1.3134 1.3251 1.6163 1.6587 1.7893 1.8989 1.9033 1.9550 2.0196 2.1185 2.3529 2.4086 2.4535 2.4843 2.6874 2.7001 2.7967 2.8284 3.0851 3.1201 3.2409 3.2938 3.3829 3.4052 3.7535 3.7834 3.9642 4.0057 4.1954 4.2160 4.6995 4.9173 5.0762 5.1319 5.1612 5.1836 5.4378 5.4757 5.9381 5.9458 6.2435 6.3475 8.1612 8.1663 9.5659 9.5934 9.9109 10.0755 10.3211 10.3270 10.5607 10.7363 11.5333 11.5837 12.3764 12.3967 k = 0.2647 0.5975 0.3172 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4569 -6.4531 -6.1532 -6.1511 -6.0804 -6.0749 -5.8336 -5.8218 -0.7837 -0.7694 -0.0590 -0.0465 -0.0119 0.0532 0.2437 0.2855 0.3226 0.3324 0.3370 0.4102 1.3251 1.3369 1.6164 1.6578 1.7892 1.9000 1.9077 1.9588 2.0146 2.1135 2.3440 2.3810 2.4336 2.4810 2.6895 2.6964 2.7848 2.8225 3.0685 3.1059 3.2202 3.2665 3.3918 3.4279 3.7696 3.7776 3.9770 4.0038 4.1821 4.2078 4.7177 4.9252 5.0821 5.1328 5.1481 5.2059 5.4507 5.4936 5.9225 5.9375 6.2528 6.3490 8.1603 8.1654 9.5897 9.6162 9.9424 10.1052 10.3272 10.3344 10.5915 10.7695 11.5345 11.5793 12.3589 12.3836 k = 0.2458 0.5920 0.3242 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7507 -14.7106 -14.7106 -6.4602 -6.4567 -6.1621 -6.1601 -6.0672 -6.0611 -5.8339 -5.8219 -0.7777 -0.7640 -0.0587 -0.0458 -0.0093 0.0523 0.2449 0.2843 0.3237 0.3328 0.3409 0.4094 1.3376 1.3493 1.6177 1.6581 1.7902 1.9015 1.9120 1.9622 2.0107 2.1088 2.3297 2.3509 2.4133 2.4765 2.6865 2.6944 2.7757 2.8187 3.0481 3.0956 3.1997 3.2395 3.4036 3.4520 3.7719 3.7845 3.9849 4.0038 4.1686 4.1986 4.7380 4.9326 5.0810 5.1257 5.1552 5.2295 5.4650 5.5134 5.9006 5.9236 6.2626 6.3506 8.1591 8.1642 9.6175 9.6430 9.9747 10.1335 10.3339 10.3444 10.6184 10.7983 11.5378 11.5769 12.3315 12.3597 k = 0.2268 0.5864 0.3311 ( 6872 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7507 -14.7106 -14.7106 -6.4643 -6.4609 -6.1706 -6.1687 -6.0531 -6.0464 -5.8347 -5.8226 -0.7717 -0.7586 -0.0583 -0.0453 -0.0066 0.0512 0.2461 0.2831 0.3248 0.3331 0.3448 0.4085 1.3505 1.3623 1.6204 1.6598 1.7923 1.9034 1.9163 1.9643 2.0086 2.1043 2.3047 2.3243 2.3941 2.4697 2.6766 2.6966 2.7687 2.8166 3.0255 3.0879 3.1804 3.2138 3.4179 3.4770 3.7688 3.7953 3.9872 4.0059 4.1548 4.1886 4.7598 4.9394 5.0794 5.1142 5.1739 5.2532 5.4808 5.5350 5.8749 5.9054 6.2699 6.3504 8.1580 8.1632 9.6487 9.6733 10.0079 10.1610 10.3411 10.3573 10.6410 10.8222 11.5426 11.5762 12.2955 12.3261 k = 0.2079 0.5809 0.3381 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7507 -14.7106 -14.7106 -6.4688 -6.4657 -6.1785 -6.1767 -6.0385 -6.0313 -5.8359 -5.8237 -0.7656 -0.7532 -0.0579 -0.0449 -0.0039 0.0500 0.2473 0.2817 0.3259 0.3334 0.3488 0.4074 1.3637 1.3755 1.6244 1.6629 1.7955 1.9054 1.9205 1.9647 2.0088 2.1000 2.2714 2.3001 2.3772 2.4602 2.6640 2.6995 2.7628 2.8153 3.0028 3.0818 3.1630 3.1899 3.4341 3.5024 3.7668 3.8034 3.9862 4.0076 4.1413 4.1782 4.7825 4.9452 5.0798 5.1048 5.1953 5.2773 5.4983 5.5584 5.8469 5.8841 6.2727 6.3471 8.1573 8.1627 9.6825 9.7063 10.0424 10.1888 10.3489 10.3728 10.6592 10.8409 11.5482 11.5768 12.2529 12.2852 k = 0.1890 0.5753 0.3450 ( 6878 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7507 -14.7106 -14.7106 -6.4734 -6.4706 -6.1859 -6.1842 -6.0237 -6.0160 -5.8375 -5.8253 -0.7596 -0.7480 -0.0575 -0.0447 -0.0010 0.0487 0.2485 0.2803 0.3271 0.3337 0.3527 0.4062 1.3771 1.3887 1.6299 1.6674 1.8000 1.9071 1.9245 1.9635 2.0117 2.0955 2.2364 2.2737 2.3623 2.4478 2.6502 2.7027 2.7565 2.8139 2.9822 3.0765 3.1477 3.1680 3.4518 3.5278 3.7658 3.8091 3.9837 4.0069 4.1282 4.1676 4.8054 4.9499 5.0823 5.0979 5.2180 5.3017 5.5178 5.5836 5.8179 5.8608 6.2698 6.3396 8.1575 8.1631 9.7180 9.7410 10.0782 10.2182 10.3571 10.3904 10.6729 10.8546 11.5534 11.5777 12.2061 12.2398 k = 0.1701 0.5698 0.3520 ( 6877 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7507 -14.7106 -14.7106 -6.4781 -6.4755 -6.1926 -6.1912 -6.0090 -6.0008 -5.8398 -5.8275 -0.7538 -0.7431 -0.0570 -0.0447 0.0019 0.0472 0.2497 0.2788 0.3281 0.3340 0.3565 0.4048 1.3903 1.4016 1.6367 1.6732 1.8057 1.9081 1.9283 1.9614 2.0167 2.0904 2.2022 2.2460 2.3486 2.4323 2.6363 2.7057 2.7489 2.8116 2.9660 3.0715 3.1344 3.1485 3.4706 3.5532 3.7655 3.8130 3.9800 4.0032 4.1159 4.1571 4.8278 4.9537 5.0858 5.0936 5.2415 5.3264 5.5397 5.6108 5.7890 5.8363 6.2603 6.3273 8.1587 8.1644 9.7542 9.7767 10.1152 10.2501 10.3655 10.4098 10.6823 10.8632 11.5566 11.5776 12.1582 12.1931 k = 0.1512 0.5642 0.3590 ( 6875 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.4826 -6.4803 -6.1987 -6.1974 -5.9944 -5.9858 -5.8425 -5.8302 -0.7482 -0.7384 -0.0564 -0.0447 0.0048 0.0456 0.2511 0.2773 0.3292 0.3343 0.3603 0.4033 1.4031 1.4140 1.6449 1.6803 1.8125 1.9075 1.9319 1.9595 2.0233 2.0841 2.1702 2.2189 2.3350 2.4139 2.6234 2.7076 2.7403 2.8081 2.9553 3.0664 3.1230 3.1314 3.4902 3.5778 3.7656 3.8157 3.9752 3.9966 4.1050 4.1471 4.8490 4.9567 5.0877 5.0935 5.2656 5.3509 5.5642 5.6397 5.7613 5.8114 6.2442 6.3097 8.1610 8.1666 9.7897 9.8122 10.1529 10.2855 10.3739 10.4308 10.6876 10.8671 11.5557 11.5746 12.1128 12.1488 k = 0.1323 0.5587 0.3659 ( 6872 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.4868 -6.4848 -6.2042 -6.2030 -5.9803 -5.9712 -5.8458 -5.8336 -0.7430 -0.7342 -0.0558 -0.0449 0.0077 0.0438 0.2524 0.2758 0.3301 0.3345 0.3640 0.4017 1.4152 1.4255 1.6545 1.6885 1.8204 1.9048 1.9351 1.9585 2.0309 2.0754 2.1417 2.1945 2.3209 2.3929 2.6124 2.7049 2.7336 2.8035 2.9506 3.0609 3.1128 3.1173 3.5102 3.6012 3.7658 3.8180 3.9687 3.9875 4.0959 4.1376 4.8688 4.9590 5.0874 5.0971 5.2900 5.3747 5.5913 5.6686 5.7374 5.7871 6.2216 6.2868 8.1641 8.1696 9.8237 9.8463 10.1908 10.3245 10.3819 10.4535 10.6894 10.8666 11.5489 11.5663 12.0740 12.1105 k = 0.1134 0.5531 0.3729 ( 6872 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7507 -14.7106 -14.7106 -6.4907 -6.4889 -6.2090 -6.2080 -5.9666 -5.9573 -5.8497 -5.8377 -0.7381 -0.7304 -0.0550 -0.0452 0.0106 0.0418 0.2539 0.2741 0.3310 0.3347 0.3675 0.3999 1.4265 1.4358 1.6651 1.6975 1.8291 1.8999 1.9375 1.9588 2.0376 2.0651 2.1173 2.1753 2.3061 2.3699 2.6038 2.6941 2.7329 2.7985 2.9507 3.0546 3.1027 3.1073 3.5304 3.6224 3.7664 3.8206 3.9606 3.9765 4.0890 4.1288 4.8867 4.9607 5.0877 5.1008 5.3142 5.3969 5.6192 5.6878 5.7275 5.7662 6.1932 6.2589 8.1680 8.1731 9.8553 9.8777 10.2283 10.3660 10.3893 10.4785 10.6882 10.8621 11.5347 11.5507 12.0452 12.0813 k = 0.0945 0.5475 0.3799 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4940 -6.4925 -6.2130 -6.2122 -5.9536 -5.9441 -5.8542 -5.8423 -0.7338 -0.7272 -0.0542 -0.0457 0.0136 0.0397 0.2554 0.2725 0.3319 0.3348 0.3709 0.3979 1.4366 1.4447 1.6767 1.7070 1.8381 1.8930 1.9387 1.9603 2.0349 2.0626 2.0964 2.1626 2.2907 2.3457 2.5978 2.6785 2.7363 2.7933 2.9545 3.0471 3.0939 3.1002 3.5504 3.6398 3.7682 3.8239 3.9507 3.9643 4.0844 4.1206 4.9026 4.9618 5.0890 5.1035 5.3381 5.4167 5.6386 5.6897 5.7300 5.7681 6.1598 6.2263 8.1722 8.1768 9.8839 9.9054 10.2643 10.3940 10.4097 10.5066 10.6848 10.8538 11.5133 11.5273 12.0287 12.0631 k = 0.0756 0.5420 0.3868 ( 6872 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4968 -6.4956 -6.2163 -6.2157 -5.9414 -5.9319 -5.8590 -5.8476 -0.7299 -0.7246 -0.0533 -0.0463 0.0164 0.0375 0.2570 0.2708 0.3326 0.3349 0.3742 0.3958 1.4453 1.4521 1.6889 1.7163 1.8466 1.8849 1.9389 1.9620 2.0223 2.0667 2.0824 2.1559 2.2752 2.3215 2.5946 2.6617 2.7413 2.7880 2.9608 3.0384 3.0874 3.0945 3.5699 3.6518 3.7726 3.8275 3.9394 3.9518 4.0819 4.1131 4.9165 4.9621 5.0909 5.1050 5.3611 5.4330 5.6362 5.6925 5.7330 5.8001 6.1228 6.1898 8.1764 8.1804 9.9088 9.9283 10.2978 10.3988 10.4496 10.5376 10.6809 10.8419 11.4865 11.4978 12.0243 12.0556 k = 0.0567 0.5364 0.3938 ( 6879 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4989 -6.4981 -6.2189 -6.2184 -5.9302 -5.9210 -5.8640 -5.8535 -0.7268 -0.7227 -0.0524 -0.0470 0.0193 0.0352 0.2586 0.2690 0.3332 0.3349 0.3773 0.3936 1.4525 1.4577 1.7012 1.7245 1.8537 1.8767 1.9387 1.9625 2.0112 2.0544 2.0903 2.1527 2.2609 2.2984 2.5941 2.6455 2.7469 2.7825 2.9687 3.0288 3.0834 3.0899 3.5886 3.6569 3.7810 3.8307 3.9279 3.9397 4.0815 4.1061 4.9282 4.9614 5.0933 5.1055 5.3831 5.4444 5.6260 5.6776 5.7651 5.8378 6.0842 6.1504 8.1803 8.1834 9.9296 9.9458 10.3273 10.4007 10.4860 10.5676 10.6805 10.8260 11.4582 11.4665 12.0296 12.0564 k = 0.0378 0.5309 0.4008 ( 6879 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.5005 -6.4999 -6.2208 -6.2204 -5.9202 -5.9122 -5.8686 -5.8596 -0.7242 -0.7215 -0.0515 -0.0478 0.0221 0.0327 0.2603 0.2673 0.3337 0.3348 0.3804 0.3912 1.4580 1.4616 1.7128 1.7302 1.8584 1.8695 1.9396 1.9598 2.0065 2.0392 2.1049 2.1498 2.2500 2.2776 2.5963 2.6310 2.7528 2.7768 2.9778 3.0186 3.0813 3.0862 3.6062 3.6550 3.7929 3.8315 3.9183 3.9288 4.0828 4.0998 4.9381 4.9597 5.0960 5.1048 5.4035 5.4491 5.6196 5.6589 5.8061 5.8728 6.0486 6.1095 8.1835 8.1856 9.9459 9.9575 10.3520 10.3995 10.5182 10.5856 10.6916 10.8057 11.4332 11.4387 12.0409 12.0614 k = 0.0189 0.5253 0.4077 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.5013 -6.5011 -6.2218 -6.2217 -5.9121 -5.9069 -5.8712 -5.8655 -0.7224 -0.7211 -0.0505 -0.0487 0.0249 0.0302 0.2620 0.2655 0.3341 0.3347 0.3833 0.3887 1.4617 1.4635 1.7227 1.7322 1.8606 1.8646 1.9425 1.9541 2.0086 2.0261 2.1202 2.1441 2.2456 2.2607 2.6011 2.6186 2.7589 2.7710 2.9876 3.0082 3.0808 3.0834 3.6223 3.6477 3.8065 3.8280 3.9131 3.9197 4.0856 4.0942 4.9460 4.9566 5.0987 5.1034 5.4218 5.4463 5.6203 5.6418 5.8474 5.8927 6.0276 6.0698 8.1857 8.1868 9.9572 9.9632 10.3713 10.3946 10.5463 10.5843 10.7178 10.7802 11.4163 11.4191 12.0536 12.0651 k = 0.0000 0.5198 0.4147 ( 6890 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.5015 -6.5015 -6.2221 -6.2221 -5.9070 -5.9070 -5.8701 -5.8701 -0.7214 -0.7214 -0.0496 -0.0496 0.0275 0.0275 0.2637 0.2637 0.3344 0.3344 0.3860 0.3860 1.4636 1.4636 1.7296 1.7296 1.8620 1.8620 1.9477 1.9477 2.0156 2.0156 2.1339 2.1339 2.2494 2.2494 2.6086 2.6086 2.7649 2.7649 2.9977 2.9977 3.0816 3.0816 3.6364 3.6364 3.8191 3.8191 3.9139 3.9139 4.0894 4.0894 4.9521 4.9521 5.1013 5.1013 5.4366 5.4366 5.6283 5.6283 5.8814 5.8814 6.0374 6.0374 8.1869 8.1869 9.9631 9.9631 10.3853 10.3853 10.5692 10.5692 10.7499 10.7499 11.4112 11.4112 12.0628 12.0628 k = 0.0000 0.5198 0.4147 ( 6890 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.5015 -6.5015 -6.2221 -6.2221 -5.9070 -5.9070 -5.8701 -5.8701 -0.7214 -0.7214 -0.0496 -0.0496 0.0275 0.0275 0.2637 0.2637 0.3344 0.3344 0.3860 0.3860 1.4636 1.4636 1.7296 1.7296 1.8620 1.8620 1.9477 1.9477 2.0156 2.0156 2.1339 2.1339 2.2494 2.2494 2.6086 2.6086 2.7649 2.7649 2.9977 2.9977 3.0816 3.0816 3.6364 3.6364 3.8191 3.8191 3.9139 3.9139 4.0894 4.0894 4.9521 4.9521 5.1013 5.1013 5.4366 5.4366 5.6283 5.6283 5.8814 5.8814 6.0374 6.0374 8.1869 8.1869 9.9631 9.9631 10.3853 10.3853 10.5692 10.5692 10.7499 10.7499 11.4112 11.4112 12.0628 12.0628 k = 0.0089 0.5079 0.4295 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.5013 -6.5012 -6.2220 -6.2217 -5.9073 -5.9072 -5.8705 -5.8701 -0.7219 -0.7210 -0.0502 -0.0489 0.0248 0.0301 0.2631 0.2644 0.3344 0.3345 0.3852 0.3859 1.4620 1.4621 1.7272 1.7310 1.8590 1.8645 1.9363 1.9571 2.0071 2.0224 2.1353 2.1371 2.2450 2.2549 2.6089 2.6091 2.7633 2.7662 2.9967 2.9969 3.0797 3.0861 3.6281 3.6456 3.8170 3.8242 3.9151 3.9152 4.0841 4.0911 4.9442 4.9539 5.0911 5.1063 5.4342 5.4504 5.6269 5.6383 5.8805 5.8822 6.0370 6.0370 8.1834 8.1842 9.9428 9.9672 10.3611 10.4159 10.5581 10.5827 10.7470 10.7577 11.4122 11.4132 12.0598 12.0616 k = 0.0179 0.4961 0.4443 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.5004 -6.5004 -6.2212 -6.2207 -5.9081 -5.9080 -5.8713 -5.8707 -0.7225 -0.7208 -0.0508 -0.0482 0.0218 0.0323 0.2625 0.2651 0.3343 0.3346 0.3836 0.3848 1.4574 1.4574 1.7241 1.7316 1.8556 1.8662 1.9236 1.9632 1.9985 2.0269 2.1414 2.1443 2.2417 2.2614 2.6099 2.6105 2.7613 2.7671 2.9939 2.9942 3.0803 3.0934 3.6205 3.6554 3.8179 3.8323 3.9190 3.9190 4.0758 4.0892 4.9308 4.9498 5.0773 5.1052 5.4439 5.4736 5.6341 5.6563 5.8794 5.8831 6.0357 6.0358 8.1739 8.1754 9.9094 9.9536 10.3458 10.4483 10.5507 10.5973 10.7491 10.7708 11.4159 11.4179 12.0530 12.0562 k = 0.0268 0.4843 0.4591 ( 6886 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4989 -6.4989 -6.2199 -6.2190 -5.9096 -5.9094 -5.8727 -5.8718 -0.7232 -0.7206 -0.0514 -0.0475 0.0186 0.0343 0.2619 0.2658 0.3341 0.3347 0.3811 0.3829 1.4498 1.4501 1.7200 1.7311 1.8516 1.8659 1.9112 1.9640 1.9935 2.0295 2.1515 2.1543 2.2397 2.2687 2.6116 2.6129 2.7589 2.7676 2.9890 2.9910 3.0828 3.1031 3.6132 3.6650 3.8215 3.8434 3.9251 3.9255 4.0656 4.0839 4.9131 4.9408 5.0614 5.0984 5.4647 5.5043 5.6489 5.6810 5.8782 5.8842 6.0338 6.0338 8.1584 8.1607 9.8660 9.9234 10.3390 10.4762 10.5497 10.6116 10.7569 10.7897 11.4220 11.4251 12.0429 12.0467 k = 0.0357 0.4725 0.4739 ( 6878 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4969 -6.4969 -6.2180 -6.2169 -5.9115 -5.9113 -5.8746 -5.8734 -0.7239 -0.7206 -0.0519 -0.0468 0.0152 0.0360 0.2614 0.2665 0.3337 0.3349 0.3781 0.3801 1.4394 1.4403 1.7151 1.7294 1.8464 1.8612 1.9019 1.9589 1.9938 2.0311 2.1644 2.1663 2.2390 2.2767 2.6138 2.6162 2.7564 2.7679 2.9827 2.9875 3.0869 3.1147 3.6054 3.6734 3.8275 3.8570 3.9330 3.9347 4.0554 4.0763 4.8926 4.9284 5.0444 5.0875 5.4948 5.5405 5.6699 5.7109 5.8771 5.8862 6.0310 6.0311 8.1375 8.1403 9.8152 9.8801 10.3386 10.4926 10.5586 10.6246 10.7713 10.8145 11.4299 11.4342 12.0302 12.0338 k = 0.0446 0.4607 0.4887 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4943 -6.4943 -6.2155 -6.2141 -5.9140 -5.9137 -5.8769 -5.8754 -0.7248 -0.7207 -0.0524 -0.0460 0.0116 0.0374 0.2609 0.2673 0.3331 0.3351 0.3746 0.3765 1.4265 1.4283 1.7091 1.7263 1.8394 1.8501 1.8981 1.9520 1.9968 2.0322 2.1790 2.1794 2.2398 2.2853 2.6163 2.6205 2.7538 2.7680 2.9755 2.9842 3.0923 3.1276 3.5966 3.6790 3.8352 3.8726 3.9411 3.9455 4.0488 4.0685 4.8705 4.9140 5.0270 5.0740 5.5317 5.5808 5.6950 5.7440 5.8769 5.8898 6.0276 6.0280 8.1113 8.1146 9.7588 9.8273 10.3417 10.4974 10.5753 10.6358 10.7930 10.8449 11.4388 11.4443 12.0155 12.0179 k = 0.0536 0.4489 0.5035 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4912 -6.4911 -6.2124 -6.2108 -5.9170 -5.9167 -5.8798 -5.8780 -0.7258 -0.7210 -0.0529 -0.0453 0.0079 0.0384 0.2604 0.2680 0.3320 0.3354 0.3709 0.3722 1.4115 1.4144 1.7021 1.7219 1.8302 1.8341 1.8986 1.9463 2.0006 2.0335 2.1929 2.1946 2.2421 2.2944 2.6192 2.6256 2.7512 2.7678 2.9680 2.9814 3.0990 3.1415 3.5862 3.6807 3.8427 3.8890 3.9479 3.9553 4.0504 4.0644 4.8478 4.8990 5.0097 5.0593 5.5733 5.6236 5.7220 5.7777 5.8790 5.8963 6.0236 6.0246 8.0804 8.0842 9.6984 9.7681 10.3467 10.4966 10.5929 10.6454 10.8216 10.8797 11.4476 11.4544 11.9992 11.9996 k = 0.0625 0.4370 0.5184 ( 6882 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4875 -6.4875 -6.2088 -6.2069 -5.9206 -5.9202 -5.8831 -5.8810 -0.7268 -0.7214 -0.0534 -0.0446 0.0040 0.0390 0.2599 0.2687 0.3305 0.3357 0.3673 0.3674 1.3947 1.3990 1.6940 1.7160 1.8157 1.8186 1.9013 1.9431 2.0044 2.0349 2.2059 2.2107 2.2464 2.3038 2.6223 2.6315 2.7488 2.7675 2.9605 2.9790 3.1067 3.1558 3.5738 3.6777 3.8460 3.9036 3.9549 3.9615 4.0631 4.0698 4.8255 4.8840 4.9930 5.0443 5.6178 5.6674 5.7486 5.8072 5.8872 5.9074 6.0192 6.0213 8.0454 8.0494 9.6350 9.7046 10.3523 10.4938 10.6083 10.6539 10.8556 10.9176 11.4552 11.4634 11.9795 11.9818 k = 0.0714 0.4252 0.5332 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4834 -6.4833 -6.2047 -6.2025 -5.9245 -5.9241 -5.8868 -5.8844 -0.7279 -0.7218 -0.0539 -0.0439 0.0000 0.0392 0.2594 0.2694 0.3282 0.3360 0.3622 0.3641 1.3766 1.3824 1.6851 1.7087 1.7962 1.8047 1.9052 1.9423 2.0081 2.0367 2.2176 2.2267 2.2532 2.3135 2.6257 2.6380 2.7467 2.7670 2.9535 2.9774 3.1153 3.1703 3.5595 3.6699 3.8408 3.9087 3.9679 3.9692 4.0857 4.0875 4.8042 4.8696 4.9773 5.0295 5.6638 5.7093 5.7740 5.8260 5.9068 5.9246 6.0147 6.0189 8.0068 8.0108 9.5696 9.6383 10.3582 10.4904 10.6217 10.6618 10.8929 10.9573 11.4605 11.4703 11.9578 11.9633 k = 0.0804 0.4134 0.5480 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4788 -6.4787 -6.2000 -6.1975 -5.9290 -5.9285 -5.8910 -5.8884 -0.7290 -0.7224 -0.0543 -0.0432 -0.0039 0.0390 0.2588 0.2701 0.3253 0.3363 0.3569 0.3615 1.3575 1.3648 1.6754 1.7003 1.7764 1.7892 1.9100 1.9438 2.0117 2.0386 2.2275 2.2424 2.2626 2.3235 2.6294 2.6452 2.7451 2.7663 2.9474 2.9765 3.1246 3.1847 3.5431 3.6574 3.8268 3.8981 3.9870 3.9895 4.1148 4.1154 4.7845 4.8560 4.9628 5.0152 5.7094 5.7440 5.8012 5.8345 5.9355 5.9484 6.0107 6.0195 7.9651 7.9691 9.5029 9.5702 10.3642 10.4870 10.6336 10.6695 10.9319 10.9978 11.4627 11.4742 11.9347 11.9439 k = 0.0893 0.4016 0.5628 ( 6866 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4738 -6.4737 -6.1949 -6.1921 -5.9338 -5.9333 -5.8957 -5.8928 -0.7302 -0.7232 -0.0547 -0.0427 -0.0079 0.0383 0.2582 0.2707 0.3218 0.3362 0.3517 0.3596 1.3377 1.3464 1.6650 1.6907 1.7565 1.7725 1.9153 1.9470 2.0151 2.0406 2.2359 2.2575 2.2742 2.3336 2.6334 2.6526 2.7439 2.7654 2.9423 2.9762 3.1343 3.1987 3.5250 3.6405 3.8070 3.8771 4.0129 4.0185 4.1483 4.1497 4.7667 4.8433 4.9496 5.0015 5.7519 5.7655 5.8354 5.8398 5.9624 5.9761 6.0095 6.0284 7.9210 7.9249 9.4356 9.5013 10.3706 10.4843 10.6445 10.6770 10.9712 11.0383 11.4615 11.4747 11.9104 11.9235 k = 0.0982 0.3898 0.5776 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7507 -14.7507 -14.7106 -14.7106 -6.4683 -6.4683 -6.1892 -6.1862 -5.9390 -5.9385 -5.9008 -5.8976 -0.7314 -0.7240 -0.0552 -0.0425 -0.0118 0.0371 0.2575 0.2712 0.3177 0.3352 0.3474 0.3583 1.3175 1.3275 1.6542 1.6803 1.7370 1.7552 1.9211 1.9513 2.0183 2.0425 2.2434 2.2720 2.2872 2.3436 2.6378 2.6602 2.7432 2.7645 2.9383 2.9766 3.1442 3.2121 3.5054 3.6198 3.7845 3.8512 4.0435 4.0527 4.1857 4.1868 4.7511 4.8314 4.9377 4.9883 5.7767 5.7854 5.8496 5.8733 5.9782 5.9956 6.0229 6.0522 7.8751 7.8786 9.3683 9.4321 10.3775 10.4825 10.6547 10.6843 11.0097 11.0781 11.4573 11.4723 11.8849 11.9022 k = 0.1071 0.3780 0.5924 ( 6882 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.4626 -6.4625 -6.1831 -6.1798 -5.9446 -5.9440 -5.9063 -5.9029 -0.7326 -0.7249 -0.0557 -0.0425 -0.0154 0.0355 0.2567 0.2716 0.3136 0.3324 0.3449 0.3575 1.2972 1.3084 1.6431 1.6693 1.7180 1.7377 1.9272 1.9564 2.0213 2.0444 2.2507 2.2855 2.3007 2.3536 2.6428 2.6676 2.7430 2.7638 2.9356 2.9775 3.1542 3.2248 3.4846 3.5958 3.7611 3.8230 4.0775 4.0908 4.2254 4.2257 4.7380 4.8202 4.9271 4.9756 5.7827 5.8026 5.8700 5.9068 5.9875 6.0046 6.0550 6.0866 7.8279 7.8310 9.3015 9.3632 10.3852 10.4820 10.6642 10.6915 11.0468 11.1166 11.4512 11.4677 11.8585 11.8800 k = 0.1161 0.3661 0.6072 ( 6882 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.4566 -6.4565 -6.1765 -6.1730 -5.9504 -5.9498 -5.9122 -5.9086 -0.7338 -0.7259 -0.0563 -0.0429 -0.0186 0.0334 0.2558 0.2719 0.3096 0.3281 0.3443 0.3571 1.2770 1.2893 1.6319 1.6578 1.6997 1.7204 1.9335 1.9620 2.0240 2.0461 2.2582 2.2981 2.3142 2.3635 2.6483 2.6747 2.7432 2.7635 2.9340 2.9787 3.1640 3.2364 3.4633 3.5694 3.7377 3.7938 4.1142 4.1317 4.2651 4.2664 4.7275 4.8098 4.9176 4.9632 5.7866 5.8080 5.8927 5.9274 6.0008 6.0228 6.0909 6.1243 7.7801 7.7826 9.2357 9.2953 10.3939 10.4831 10.6731 10.6983 11.0819 11.1532 11.4442 11.4623 11.8313 11.8570 k = 0.1250 0.3543 0.6220 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.4503 -6.4502 -6.1696 -6.1658 -5.9565 -5.9559 -5.9185 -5.9147 -0.7350 -0.7270 -0.0568 -0.0439 -0.0211 0.0308 0.2549 0.2721 0.3059 0.3232 0.3446 0.3570 1.2573 1.2703 1.6208 1.6460 1.6824 1.7034 1.9401 1.9680 2.0265 2.0476 2.2660 2.3097 2.3275 2.3730 2.6544 2.6810 2.7438 2.7640 2.9335 2.9802 3.1732 3.2468 3.4419 3.5414 3.7148 3.7644 4.1529 4.1748 4.3043 4.3079 4.7196 4.7999 4.9091 4.9510 5.7899 5.8094 5.9067 5.9339 6.0241 6.0533 6.1269 6.1619 7.7322 7.7341 9.1715 9.2287 10.4039 10.4861 10.6811 10.7045 11.1144 11.1875 11.4379 11.4573 11.8036 11.8332 k = 0.1339 0.3425 0.6368 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.4439 -6.4438 -6.1622 -6.1583 -5.9627 -5.9621 -5.9252 -5.9211 -0.7361 -0.7282 -0.0574 -0.0456 -0.0229 0.0279 0.2538 0.2721 0.3026 0.3182 0.3453 0.3571 1.2382 1.2517 1.6099 1.6341 1.6662 1.6869 1.9467 1.9740 2.0286 2.0488 2.2742 2.3204 2.3404 2.3822 2.6610 2.6864 2.7450 2.7655 2.9340 2.9818 3.1816 3.2555 3.4211 3.5133 3.6925 3.7356 4.1934 4.2193 4.3426 4.3491 4.7143 4.7903 4.9014 4.9387 5.7933 5.8099 5.9113 5.9326 6.0558 6.0896 6.1619 6.1980 7.6848 7.6860 9.1093 9.1639 10.4154 10.4911 10.6881 10.7099 11.1439 11.2191 11.4335 11.4541 11.7758 11.8090 k = 0.1429 0.3307 0.6516 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.4374 -6.4373 -6.1545 -6.1503 -5.9690 -5.9684 -5.9322 -5.9280 -0.7372 -0.7294 -0.0582 -0.0479 -0.0239 0.0246 0.2528 0.2719 0.2998 0.3134 0.3462 0.3573 1.2198 1.2336 1.5994 1.6221 1.6512 1.6712 1.9533 1.9800 2.0304 2.0498 2.2828 2.3300 2.3525 2.3908 2.6681 2.6905 2.7465 2.7684 2.9353 2.9834 3.1885 3.2618 3.4017 3.4862 3.6708 3.7075 4.2350 4.2647 4.3791 4.3896 4.7117 4.7810 4.8941 4.9263 5.7973 5.8107 5.9103 5.9280 6.0912 6.1267 6.1950 6.2319 7.6385 7.6389 9.0496 9.1014 10.4285 10.4981 10.6941 10.7145 11.1699 11.2472 11.4318 11.4537 11.7485 11.7848 k = 0.1518 0.3189 0.6665 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.4308 -6.4307 -6.1464 -6.1421 -5.9754 -5.9747 -5.9396 -5.9352 -0.7383 -0.7306 -0.0589 -0.0507 -0.0243 0.0210 0.2517 0.2714 0.2976 0.3091 0.3472 0.3575 1.2024 1.2162 1.5893 1.6103 1.6374 1.6563 1.9598 1.9859 2.0319 2.0505 2.2917 2.3387 2.3639 2.3989 2.6754 2.6935 2.7486 2.7725 2.9372 2.9848 3.1934 3.2647 3.3847 3.4618 3.6497 3.6808 4.2775 4.3105 4.4136 4.4288 4.7113 4.7717 4.8872 4.9135 5.8023 5.8124 5.9068 5.9220 6.1270 6.1626 6.2258 6.2629 7.5933 7.5937 8.9928 9.0416 10.4430 10.5072 10.6991 10.7182 11.1922 11.2715 11.4337 11.4569 11.7223 11.7609 k = 0.1607 0.3071 0.6813 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.4244 -6.4243 -6.1381 -6.1336 -5.9817 -5.9810 -5.9472 -5.9427 -0.7392 -0.7319 -0.0598 -0.0536 -0.0242 0.0173 0.2508 0.2707 0.2958 0.3053 0.3483 0.3578 1.1862 1.1997 1.5798 1.5989 1.6250 1.6424 1.9662 1.9915 2.0330 2.0509 2.3009 2.3464 2.3744 2.4063 2.6827 2.6957 2.7512 2.7776 2.9397 2.9860 3.1954 3.2630 3.3712 3.4420 3.6291 3.6554 4.3205 4.3559 4.4458 4.4662 4.7131 4.7623 4.8803 4.9002 5.8083 5.8153 5.9021 5.9154 6.1615 6.1962 6.2539 6.2908 7.5500 7.5511 8.9394 8.9850 10.4590 10.5180 10.7031 10.7211 11.2105 11.2911 11.4394 11.4640 11.6979 11.7379 k = 0.1696 0.2953 0.6961 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4181 -6.4180 -6.1295 -6.1249 -5.9878 -5.9871 -5.9551 -5.9505 -0.7401 -0.7331 -0.0608 -0.0566 -0.0238 0.0135 0.2500 0.2696 0.2944 0.3021 0.3495 0.3581 1.1712 1.1842 1.5710 1.5879 1.6139 1.6296 1.9724 1.9968 2.0338 2.0510 2.3103 2.3533 2.3839 2.4130 2.6899 2.6972 2.7543 2.7834 2.9427 2.9869 3.1936 3.2557 3.3623 3.4283 3.6090 3.6316 4.3634 4.4002 4.4759 4.5017 4.7165 4.7527 4.8733 4.8861 5.8154 5.8194 5.8970 5.9088 6.1937 6.2269 6.2792 6.3152 7.5093 7.5110 8.8899 8.9320 10.4762 10.5304 10.7064 10.7232 11.2246 11.3053 11.4490 11.4750 11.6765 11.7163 k = 0.1786 0.2834 0.7109 ( 6886 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4120 -6.4119 -6.1208 -6.1159 -5.9937 -5.9929 -5.9633 -5.9586 -0.7408 -0.7344 -0.0618 -0.0594 -0.0232 0.0097 0.2495 0.2682 0.2934 0.2995 0.3506 0.3583 1.1576 1.1698 1.5629 1.5776 1.6041 1.6178 1.9784 2.0018 2.0343 2.0508 2.3198 2.3594 2.3924 2.4187 2.6966 2.6987 2.7581 2.7893 2.9462 2.9876 3.1879 3.2428 3.3585 3.4212 3.5894 3.6094 4.4060 4.4425 4.5043 4.5347 4.7209 4.7428 4.8657 4.8711 5.8235 5.8247 5.8919 5.9024 6.2232 6.2544 6.3014 6.3360 7.4717 7.4740 8.8447 8.8830 10.4941 10.5436 10.7092 10.7250 11.2345 11.3135 11.4623 11.4895 11.6590 11.6968 k = 0.1875 0.2716 0.7257 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4063 -6.4062 -6.1118 -6.1069 -5.9993 -5.9985 -5.9716 -5.9669 -0.7415 -0.7356 -0.0630 -0.0620 -0.0224 0.0060 0.2492 0.2667 0.2927 0.2974 0.3517 0.3585 1.1455 1.1567 1.5557 1.5681 1.5955 1.6073 1.9841 2.0062 2.0347 2.0504 2.3292 2.3647 2.3998 2.4234 2.7002 2.7029 2.7624 2.7950 2.9502 2.9882 3.1787 3.2256 3.3597 3.4197 3.5702 3.5889 4.4479 4.4812 4.5324 4.5652 4.7257 4.7324 4.8551 4.8574 5.8311 5.8321 5.8872 5.8963 6.2496 6.2784 6.3205 6.3531 7.4378 7.4405 8.8041 8.8384 10.5124 10.5571 10.7121 10.7266 11.2405 11.3154 11.4787 11.5069 11.6463 11.6800 k = 0.1964 0.2598 0.7405 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.4011 -6.4010 -6.1028 -6.0977 -6.0045 -6.0035 -5.9800 -5.9754 -0.7419 -0.7368 -0.0643 -0.0642 -0.0215 0.0025 0.2491 0.2648 0.2922 0.2958 0.3528 0.3587 1.1350 1.1449 1.5493 1.5597 1.5881 1.5980 1.9894 2.0101 2.0348 2.0498 2.3384 2.3692 2.4061 2.4270 2.7021 2.7082 2.7672 2.7998 2.9547 2.9888 3.1672 3.2060 3.3650 3.4223 3.5515 3.5700 4.4886 4.5144 4.5620 4.5928 4.7217 4.7301 4.8379 4.8480 5.8383 5.8409 5.8829 5.8908 6.2728 6.2989 6.3365 6.3667 7.4080 7.4108 8.7685 8.7986 10.5304 10.5700 10.7153 10.7284 11.2430 11.3113 11.4973 11.5261 11.6390 11.6664 k = 0.2054 0.2480 0.7553 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3964 -6.3964 -6.0937 -6.0886 -6.0091 -6.0080 -5.9885 -5.9840 -0.7423 -0.7379 -0.0663 -0.0654 -0.0204 -0.0008 0.2493 0.2629 0.2919 0.2946 0.3538 0.3587 1.1261 1.1347 1.5439 1.5523 1.5820 1.5900 1.9944 2.0132 2.0351 2.0489 2.3471 2.3729 2.4113 2.4295 2.7043 2.7126 2.7724 2.8035 2.9597 2.9893 3.1547 3.1860 3.3734 3.4276 3.5334 3.5526 4.5279 4.5414 4.5938 4.6171 4.7109 4.7337 4.8193 4.8372 5.8459 5.8494 5.8792 5.8860 6.2927 6.3158 6.3496 6.3768 7.3824 7.3852 8.7383 8.7638 10.5473 10.5815 10.7194 10.7307 11.2428 11.3022 11.5167 11.5456 11.6369 11.6567 k = 0.2143 0.2362 0.7701 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3925 -6.3924 -6.0848 -6.0797 -6.0131 -6.0119 -5.9968 -5.9926 -0.7425 -0.7389 -0.0678 -0.0665 -0.0192 -0.0038 0.2498 0.2610 0.2917 0.2937 0.3547 0.3587 1.1189 1.1260 1.5396 1.5460 1.5771 1.5833 1.9990 2.0153 2.0355 2.0477 2.3552 2.3757 2.4157 2.4308 2.7069 2.7159 2.7781 2.8058 2.9653 2.9899 3.1426 3.1669 3.3841 3.4345 3.5161 3.5366 4.5636 4.5655 4.6261 4.6374 4.7008 4.7359 4.7992 4.8248 5.8534 5.8571 5.8763 5.8819 6.3095 6.3292 6.3602 6.3837 7.3614 7.3640 8.7137 8.7345 10.5625 10.5906 10.7244 10.7334 11.2408 11.2898 11.5355 11.5632 11.6396 11.6515 k = 0.2232 0.2244 0.7849 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3893 -6.3892 -6.0761 -6.0713 -6.0165 -6.0150 -6.0045 -6.0010 -0.7426 -0.7398 -0.0689 -0.0676 -0.0179 -0.0065 0.2505 0.2591 0.2917 0.2930 0.3556 0.3586 1.1135 1.1189 1.5363 1.5410 1.5733 1.5779 2.0033 2.0163 2.0364 2.0463 2.3624 2.3777 2.4194 2.4311 2.7096 2.7180 2.7838 2.8065 2.9711 2.9902 3.1320 3.1499 3.3965 3.4419 3.5001 3.5219 4.5828 4.6010 4.6514 4.6569 4.6936 4.7367 4.7776 4.8105 5.8601 5.8633 5.8741 5.8787 6.3231 6.3388 6.3687 6.3876 7.3451 7.3472 8.6950 8.7107 10.5755 10.5969 10.7298 10.7365 11.2385 11.2759 11.5519 11.5762 11.6460 11.6517 k = 0.2321 0.2125 0.7997 ( 6872 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3869 -6.3869 -6.0681 -6.0638 -6.0194 -6.0173 -6.0111 -6.0089 -0.7425 -0.7406 -0.0695 -0.0686 -0.0165 -0.0090 0.2515 0.2572 0.2917 0.2926 0.3564 0.3584 1.1099 1.1136 1.5341 1.5372 1.5709 1.5739 2.0070 2.0161 2.0377 2.0447 2.3684 2.3785 2.4224 2.4305 2.7124 2.7188 2.7896 2.8057 2.9768 2.9900 3.1241 3.1359 3.4098 3.4476 3.4870 3.5085 4.6001 4.6329 4.6553 4.6834 4.6943 4.7366 4.7551 4.7943 5.8654 5.8674 5.8731 5.8766 6.3336 6.3447 6.3756 6.3890 7.3335 7.3351 8.6823 8.6929 10.5859 10.6002 10.7350 10.7392 11.2373 11.2625 11.5649 11.5828 11.6540 11.6562 k = 0.2411 0.2007 0.8146 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3855 -6.3855 -6.0614 -6.0587 -6.0214 -6.0190 -6.0155 -6.0151 -0.7422 -0.7413 -0.0698 -0.0693 -0.0150 -0.0112 0.2526 0.2555 0.2918 0.2922 0.3570 0.3580 1.1081 1.1099 1.5330 1.5346 1.5697 1.5712 2.0102 2.0149 2.0393 2.0430 2.3731 2.3781 2.4250 2.4292 2.7150 2.7184 2.7949 2.8033 2.9820 2.9888 3.1200 3.1259 3.4236 3.4467 3.4817 3.4965 4.6159 4.6415 4.6697 4.7003 4.7012 4.7267 4.7452 4.7763 5.8684 5.8691 5.8735 5.8756 6.3412 6.3469 6.3811 6.3881 7.3268 7.3276 8.6757 8.6810 10.5935 10.6007 10.7390 10.7410 11.2386 11.2512 11.5744 11.5837 11.6609 11.6616 k = 0.2500 0.1889 0.8294 ( 6888 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3850 -6.3850 -6.0577 -6.0577 -6.0212 -6.0212 -6.0170 -6.0170 -0.7418 -0.7418 -0.0697 -0.0697 -0.0132 -0.0132 0.2540 0.2540 0.2919 0.2919 0.3575 0.3575 1.1081 1.1081 1.5332 1.5332 1.5698 1.5698 2.0129 2.0129 2.0412 2.0412 2.3763 2.3763 2.4273 2.4273 2.7171 2.7171 2.7996 2.7996 2.9861 2.9861 3.1205 3.1205 3.4369 3.4369 3.4867 3.4867 4.6302 4.6302 4.6956 4.6956 4.7087 4.7087 4.7581 4.7581 5.8692 5.8692 5.8748 5.8748 6.3457 6.3457 6.3854 6.3854 7.3248 7.3248 8.6752 8.6752 10.5985 10.5985 10.7411 10.7411 11.2431 11.2431 11.5806 11.5806 11.6637 11.6637 k = 0.2500 0.1889 0.8294 ( 6888 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3850 -6.3850 -6.0577 -6.0577 -6.0212 -6.0212 -6.0170 -6.0170 -0.7418 -0.7418 -0.0697 -0.0697 -0.0132 -0.0132 0.2540 0.2540 0.2919 0.2919 0.3575 0.3575 1.1081 1.1081 1.5332 1.5332 1.5698 1.5698 2.0129 2.0129 2.0412 2.0412 2.3763 2.3763 2.4273 2.4273 2.7171 2.7171 2.7996 2.7996 2.9861 2.9861 3.1205 3.1205 3.4369 3.4369 3.4867 3.4867 4.6302 4.6302 4.6956 4.6956 4.7087 4.7087 4.7581 4.7581 5.8692 5.8692 5.8748 5.8748 6.3457 6.3457 6.3854 6.3854 7.3248 7.3248 8.6752 8.6752 10.5985 10.5985 10.7411 10.7411 11.2431 11.2431 11.5806 11.5806 11.6637 11.6637 k = 0.2632 0.1988 0.8169 ( 6882 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3852 -6.3851 -6.0593 -6.0577 -6.0219 -6.0207 -6.0164 -6.0156 -0.7421 -0.7416 -0.0699 -0.0695 -0.0143 -0.0120 0.2531 0.2549 0.2918 0.2921 0.3572 0.3578 1.1079 1.1090 1.5327 1.5335 1.5696 1.5707 2.0113 2.0134 2.0401 2.0429 2.3678 2.3735 2.4307 2.4357 2.7159 2.7175 2.7971 2.8020 2.9822 2.9885 3.1224 3.1235 3.4287 3.4442 3.4836 3.4918 4.6022 4.6187 4.6867 4.6914 4.7178 4.7322 4.7579 4.7745 5.8225 5.8230 5.9209 5.9212 6.3419 6.3463 6.3846 6.3877 7.3238 7.3242 8.6759 8.6790 10.5832 10.5876 10.7513 10.7518 11.2404 11.2467 11.5793 11.5837 11.6638 11.6641 k = 0.2763 0.2088 0.8044 ( 6877 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3856 -6.3855 -6.0616 -6.0591 -6.0226 -6.0211 -6.0142 -6.0123 -0.7424 -0.7413 -0.0699 -0.0690 -0.0154 -0.0107 0.2523 0.2559 0.2917 0.2924 0.3568 0.3581 1.1084 1.1107 1.5322 1.5334 1.5699 1.5726 2.0093 2.0122 2.0389 2.0456 2.3517 2.3642 2.4415 2.4525 2.7145 2.7166 2.7946 2.8045 2.9761 2.9914 3.1292 3.1303 3.4193 3.4512 3.4831 3.4973 4.5566 4.5836 4.6775 4.6879 4.7293 4.7387 4.7947 4.8017 5.7723 5.7731 5.9704 5.9709 6.3339 6.3443 6.3863 6.3906 7.3209 7.3219 8.6813 8.6874 10.5498 10.5579 10.7755 10.7761 11.2394 11.2497 11.5803 11.5867 11.6653 11.6657 k = 0.2895 0.2187 0.7920 ( 6872 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3862 -6.3861 -6.0643 -6.0612 -6.0232 -6.0216 -6.0113 -6.0086 -0.7428 -0.7411 -0.0700 -0.0684 -0.0164 -0.0093 0.2516 0.2570 0.2917 0.2928 0.3564 0.3584 1.1094 1.1129 1.5316 1.5328 1.5706 1.5755 2.0071 2.0094 2.0377 2.0491 2.3335 2.3521 2.4562 2.4722 2.7129 2.7142 2.7921 2.8077 2.9698 2.9947 3.1374 3.1419 3.4095 3.4581 3.4844 3.5031 4.5075 4.5411 4.6689 4.6803 4.7366 4.7381 4.8356 4.8434 5.7221 5.7228 6.0199 6.0205 6.3220 6.3394 6.3899 6.3943 7.3164 7.3178 8.6917 8.7006 10.5087 10.5194 10.8034 10.8041 11.2392 11.2514 11.5824 11.5880 11.6706 11.6709 k = 0.3026 0.2287 0.7795 ( 6871 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3869 -6.3867 -6.0668 -6.0635 -6.0237 -6.0220 -6.0082 -6.0050 -0.7433 -0.7409 -0.0700 -0.0677 -0.0175 -0.0078 0.2509 0.2582 0.2917 0.2933 0.3558 0.3586 1.1109 1.1157 1.5310 1.5317 1.5718 1.5793 2.0045 2.0054 2.0364 2.0529 2.3154 2.3394 2.4729 2.4929 2.7101 2.7111 2.7898 2.8120 2.9645 2.9982 3.1481 3.1560 3.3998 3.4650 3.4868 3.5091 4.4578 4.4965 4.6592 4.6703 4.7331 4.7437 4.8726 4.8932 5.6723 5.6727 6.0686 6.0692 6.3071 6.3314 6.3944 6.3984 7.3102 7.3121 8.7073 8.7187 10.4651 10.4777 10.8300 10.8307 11.2388 11.2514 11.5832 11.5853 11.6817 11.6842 k = 0.3158 0.2386 0.7671 ( 6889 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3877 -6.3873 -6.0691 -6.0658 -6.0240 -6.0222 -6.0054 -6.0021 -0.7439 -0.7409 -0.0699 -0.0668 -0.0185 -0.0061 0.2503 0.2594 0.2917 0.2937 0.3552 0.3588 1.1127 1.1190 1.5302 1.5302 1.5733 1.5840 2.0005 2.0017 2.0349 2.0569 2.2981 2.3272 2.4907 2.5139 2.7046 2.7093 2.7876 2.8175 2.9608 3.0020 3.1608 3.1715 3.3902 3.4717 3.4899 3.5151 4.4083 4.4515 4.6481 4.6587 4.7285 4.7464 4.9106 4.9427 5.6234 5.6237 6.1154 6.1158 6.2895 6.3207 6.3991 6.4028 7.3031 7.3053 8.7281 8.7417 10.4216 10.4357 10.8531 10.8535 11.2374 11.2494 11.5775 11.5807 11.7014 11.7069 k = 0.3289 0.2486 0.7546 ( 6881 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3885 -6.3880 -6.0711 -6.0678 -6.0241 -6.0221 -6.0031 -5.9998 -0.7446 -0.7409 -0.0698 -0.0658 -0.0194 -0.0043 0.2498 0.2608 0.2920 0.2943 0.3545 0.3590 1.1149 1.1225 1.5284 1.5295 1.5752 1.5893 1.9950 1.9989 2.0334 2.0608 2.2821 2.3159 2.5092 2.5348 2.6980 2.7076 2.7857 2.8243 2.9589 3.0062 3.1754 3.1881 3.3810 3.4785 3.4935 3.5212 4.3595 4.4068 4.6362 4.6460 4.7226 4.7466 4.9489 4.9915 5.5756 5.5766 6.1594 6.1594 6.2696 6.3074 6.4038 6.4071 7.2958 7.2981 8.7540 8.7693 10.3795 10.3947 10.8718 10.8719 11.2346 11.2454 11.5653 11.5742 11.7299 11.7384 k = 0.3421 0.2585 0.7421 ( 6888 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3892 -6.3885 -6.0726 -6.0695 -6.0240 -6.0218 -6.0016 -5.9984 -0.7455 -0.7412 -0.0696 -0.0647 -0.0204 -0.0023 0.2494 0.2620 0.2926 0.2949 0.3537 0.3591 1.1173 1.1264 1.5263 1.5287 1.5774 1.5953 1.9889 1.9959 2.0317 2.0645 2.2676 2.3059 2.5279 2.5552 2.6908 2.7062 2.7839 2.8321 2.9587 3.0107 3.1913 3.2056 3.3724 3.4854 3.4976 3.5274 4.3118 4.3628 4.6235 4.6326 4.7152 4.7443 4.9870 5.0392 5.5297 5.5316 6.1985 6.1990 6.2475 6.2918 6.4080 6.4110 7.2892 7.2916 8.7846 8.8012 10.3399 10.3559 10.8854 10.8861 11.2300 11.2395 11.5492 11.5634 11.7664 11.7775 k = 0.3553 0.2684 0.7297 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3898 -6.3889 -6.0737 -6.0707 -6.0236 -6.0213 -6.0010 -5.9979 -0.7466 -0.7415 -0.0693 -0.0635 -0.0213 -0.0002 0.2491 0.2633 0.2934 0.2956 0.3529 0.3593 1.1199 1.1304 1.5241 1.5280 1.5799 1.6018 1.9825 1.9931 2.0299 2.0681 2.2548 2.2974 2.5466 2.5747 2.6834 2.7052 2.7824 2.8409 2.9601 3.0157 3.2081 3.2236 3.3645 3.4923 3.5021 3.5337 4.2653 4.3198 4.6104 4.6187 4.7065 4.7400 5.0247 5.0859 5.4861 5.4891 6.2220 6.2328 6.2333 6.2742 6.4115 6.4145 7.2848 7.2869 8.8197 8.8371 10.3034 10.3199 10.8944 10.8957 11.2239 11.2322 11.5293 11.5483 11.8093 11.8227 k = 0.3684 0.2784 0.7172 ( 6880 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3903 -6.3892 -6.0743 -6.0715 -6.0231 -6.0206 -6.0012 -5.9984 -0.7478 -0.7421 -0.0690 -0.0623 -0.0221 0.0021 0.2489 0.2644 0.2946 0.2963 0.3520 0.3594 1.1226 1.1345 1.5219 1.5274 1.5827 1.6088 1.9758 1.9903 2.0279 2.0714 2.2437 2.2904 2.5649 2.5926 2.6765 2.7047 2.7810 2.8505 2.9629 3.0212 3.2250 3.2421 3.3579 3.4991 3.5068 3.5402 4.2202 4.2779 4.5970 4.6045 4.6965 4.7336 5.0616 5.1312 5.4453 5.4494 6.1966 6.2503 6.2592 6.2639 6.4142 6.4175 7.2836 7.2852 8.8587 8.8764 10.2705 10.2872 10.8993 10.9013 11.2166 11.2238 11.5052 11.5284 11.8570 11.8724 k = 0.3816 0.2883 0.7048 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3907 -6.3894 -6.0745 -6.0718 -6.0223 -6.0196 -6.0024 -5.9998 -0.7493 -0.7428 -0.0687 -0.0610 -0.0229 0.0045 0.2488 0.2653 0.2963 0.2969 0.3510 0.3596 1.1254 1.1387 1.5198 1.5269 1.5858 1.6162 1.9692 1.9876 2.0259 2.0746 2.2343 2.2849 2.5825 2.6082 2.6711 2.7049 2.7800 2.8607 2.9667 3.0271 3.2411 3.2609 3.3530 3.5059 3.5118 3.5468 4.1767 4.2374 4.5834 4.5902 4.6855 4.7254 5.0976 5.1752 5.4076 5.4129 6.1686 6.2305 6.2782 6.2812 6.4156 6.4197 7.2868 7.2877 8.9010 8.9185 10.2414 10.2580 10.9005 10.9032 11.2083 11.2149 11.4766 11.5035 11.9079 11.9249 k = 0.3947 0.2983 0.6923 ( 6874 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7105 -6.3910 -6.3894 -6.0741 -6.0717 -6.0213 -6.0183 -6.0045 -6.0023 -0.7509 -0.7438 -0.0683 -0.0598 -0.0236 0.0071 0.2488 0.2661 0.2975 0.2984 0.3500 0.3597 1.1281 1.1428 1.5179 1.5266 1.5892 1.6240 1.9626 1.9851 2.0238 2.0776 2.2266 2.2808 2.5992 2.6197 2.6688 2.7057 2.7792 2.8714 2.9714 3.0335 3.2552 3.2798 3.3509 3.5125 3.5169 3.5537 4.1349 4.1984 4.5698 4.5761 4.6737 4.7158 5.1325 5.2176 5.3733 5.3798 6.1389 6.2066 6.2892 6.2923 6.4156 6.4206 7.2952 7.2952 8.9462 8.9628 10.2164 10.2325 10.8985 10.9017 11.1996 11.2058 11.4435 11.4732 11.9602 11.9786 k = 0.4079 0.3082 0.6798 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3911 -6.3893 -6.0733 -6.0710 -6.0203 -6.0168 -6.0073 -6.0057 -0.7528 -0.7449 -0.0680 -0.0586 -0.0243 0.0098 0.2489 0.2666 0.2980 0.3010 0.3489 0.3598 1.1310 1.1468 1.5164 1.5265 1.5928 1.6321 1.9562 1.9827 2.0216 2.0804 2.2206 2.2780 2.6148 2.6251 2.6719 2.7073 2.7788 2.8823 2.9767 3.0403 3.2656 3.2985 3.3527 3.5188 3.5222 3.5611 4.0950 4.1610 4.5563 4.5624 4.6613 4.7048 5.1659 5.2584 5.3428 5.3504 6.1076 6.1809 6.2921 6.2956 6.4140 6.4200 7.3081 7.3091 8.9935 9.0088 10.1957 10.2109 10.8936 10.8973 11.1906 11.1968 11.4059 11.4378 12.0124 12.0318 k = 0.4211 0.3182 0.6674 ( 6865 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3912 -6.3891 -6.0720 -6.0699 -6.0194 -6.0153 -6.0106 -6.0098 -0.7547 -0.7461 -0.0675 -0.0574 -0.0249 0.0126 0.2491 0.2669 0.2985 0.3041 0.3477 0.3599 1.1339 1.1508 1.5152 1.5268 1.5967 1.6405 1.9501 1.9804 2.0193 2.0830 2.2162 2.2765 2.6248 2.6290 2.6799 2.7095 2.7789 2.8933 2.9825 3.0473 3.2718 3.3166 3.3588 3.5248 3.5280 3.5690 4.0573 4.1255 4.5431 4.5493 4.6487 4.6927 5.1974 5.2970 5.3162 5.3251 6.0749 6.1536 6.2874 6.2914 6.4108 6.4175 7.3264 7.3283 9.0424 9.0557 10.1791 10.1930 10.8860 10.8900 11.1815 11.1879 11.3647 11.3979 12.0626 12.0825 k = 0.4342 0.3281 0.6549 ( 6867 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3913 -6.3890 -6.0703 -6.0684 -6.0203 -6.0160 -6.0127 -6.0121 -0.7569 -0.7476 -0.0671 -0.0564 -0.0256 0.0154 0.2493 0.2671 0.2988 0.3075 0.3465 0.3601 1.1368 1.1547 1.5145 1.5274 1.6010 1.6492 1.9444 1.9782 2.0169 2.0856 2.2133 2.2761 2.6215 2.6416 2.6901 2.7123 2.7794 2.9043 2.9884 3.0541 3.2746 3.3336 3.3678 3.5303 3.5342 3.5777 4.0220 4.0923 4.5301 4.5370 4.6361 4.6798 5.2260 5.2943 5.3025 5.3345 6.0410 6.1248 6.2757 6.2807 6.4065 6.4133 7.3492 7.3520 9.0921 9.1029 10.1666 10.1788 10.8758 10.8799 11.1721 11.1789 11.3209 11.3550 12.1087 12.1287 k = 0.4474 0.3380 0.6424 ( 6867 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3915 -6.3888 -6.0681 -6.0663 -6.0242 -6.0214 -6.0122 -6.0103 -0.7592 -0.7492 -0.0667 -0.0554 -0.0262 0.0184 0.2496 0.2671 0.2991 0.3113 0.3453 0.3601 1.1398 1.1585 1.5145 1.5285 1.6055 1.6583 1.9390 1.9761 2.0145 2.0880 2.2119 2.2766 2.6173 2.6526 2.7006 2.7154 2.7807 2.9149 2.9944 3.0604 3.2759 3.3490 3.3774 3.5353 3.5413 3.5875 3.9895 4.0615 4.5173 4.5258 4.6238 4.6663 5.2479 5.2806 5.2847 5.3683 6.0061 6.0947 6.2584 6.2644 6.4014 6.4079 7.3758 7.3792 9.1419 9.1496 10.1579 10.1680 10.8630 10.8671 11.1616 11.1690 11.2765 11.3109 12.1490 12.1682 k = 0.4605 0.3480 0.6300 ( 6865 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3917 -6.3889 -6.0655 -6.0638 -6.0298 -6.0277 -6.0103 -6.0079 -0.7616 -0.7509 -0.0663 -0.0545 -0.0268 0.0213 0.2500 0.2669 0.2992 0.3154 0.3440 0.3602 1.1430 1.1623 1.5150 1.5300 1.6104 1.6675 1.9341 1.9739 2.0121 2.0903 2.2119 2.2778 2.6131 2.6620 2.7105 2.7184 2.7828 2.9250 3.0002 3.0657 3.2775 3.3620 3.3857 3.5397 3.5492 3.5988 3.9602 4.0338 4.5048 4.5157 4.6122 4.6524 5.2490 5.2705 5.2882 5.3991 5.9704 6.0637 6.2368 6.2439 6.3957 6.4015 7.4049 7.4088 9.1909 9.1952 10.1527 10.1603 10.8478 10.8514 11.1479 11.1562 11.2352 11.2691 12.1814 12.1979 k = 0.4737 0.3579 0.6175 ( 6871 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7106 -14.7106 -6.3923 -6.3892 -6.0626 -6.0610 -6.0361 -6.0343 -6.0079 -6.0051 -0.7641 -0.7526 -0.0658 -0.0538 -0.0274 0.0243 0.2503 0.2667 0.2991 0.3197 0.3427 0.3603 1.1464 1.1662 1.5162 1.5320 1.6155 1.6770 1.9295 1.9716 2.0097 2.0926 2.2131 2.2797 2.6091 2.6698 2.7195 2.7211 2.7856 2.9344 3.0057 3.0694 3.2810 3.3719 3.3912 3.5433 3.5578 3.6118 3.9346 4.0096 4.4925 4.5067 4.6014 4.6382 5.2398 5.2599 5.3060 5.4261 5.9342 6.0318 6.2127 6.2209 6.3898 6.3948 7.4355 7.4396 9.2384 9.2389 10.1504 10.1551 10.8302 10.8328 11.1265 11.1371 11.2026 11.2347 12.2044 12.2137 k = 0.4868 0.3679 0.6051 ( 6873 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7506 -14.7106 -14.7106 -6.3933 -6.3900 -6.0595 -6.0579 -6.0425 -6.0409 -6.0051 -6.0021 -0.7666 -0.7545 -0.0654 -0.0532 -0.0280 0.0273 0.2507 0.2664 0.2990 0.3242 0.3414 0.3603 1.1500 1.1701 1.5181 1.5346 1.6211 1.6868 1.9254 1.9694 2.0074 2.0949 2.2155 2.2821 2.6054 2.6762 2.7232 2.7274 2.7893 2.9429 3.0108 3.0709 3.2872 3.3779 3.3933 3.5464 3.5667 3.6267 3.9133 3.9897 4.4804 4.4989 4.5915 4.6240 5.2317 5.2525 5.3216 5.4484 5.8979 5.9994 6.1881 6.1972 6.3838 6.3879 7.4664 7.4706 9.2799 9.2835 10.1505 10.1520 10.8100 10.8112 11.0950 11.1086 11.1825 11.2119 12.2168 12.2175 k = 0.5000 0.3778 0.5926 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7506 -14.7106 -14.7106 -6.3948 -6.3913 -6.0572 -6.0554 -6.0479 -6.0463 -6.0021 -5.9989 -0.7691 -0.7564 -0.0649 -0.0527 -0.0286 0.0302 0.2510 0.2660 0.2988 0.3287 0.3401 0.3603 1.1539 1.1741 1.5207 1.5379 1.6270 1.6968 1.9217 1.9670 2.0052 2.0971 2.2189 2.2847 2.6022 2.6811 2.7246 2.7342 2.7936 2.9505 3.0154 3.0699 3.2964 3.3796 3.3923 3.5488 3.5750 3.6434 3.8971 3.9746 4.4688 4.4922 4.5826 4.6100 5.2259 5.2482 5.3324 5.4650 5.8617 5.9668 6.1647 6.1748 6.3778 6.3812 7.4968 7.5010 9.3176 9.3253 10.1503 10.1521 10.7865 10.7876 11.0584 11.0739 11.1710 11.1991 12.2156 12.2228 k = 0.5000 0.3778 0.5926 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7506 -14.7106 -14.7106 -6.3948 -6.3913 -6.0572 -6.0554 -6.0479 -6.0463 -6.0021 -5.9989 -0.7691 -0.7564 -0.0649 -0.0527 -0.0286 0.0302 0.2510 0.2660 0.2988 0.3287 0.3401 0.3603 1.1539 1.1741 1.5207 1.5379 1.6270 1.6968 1.9217 1.9670 2.0052 2.0971 2.2189 2.2847 2.6022 2.6811 2.7246 2.7342 2.7936 2.9505 3.0154 3.0699 3.2964 3.3796 3.3923 3.5488 3.5750 3.6434 3.8971 3.9746 4.4688 4.4922 4.5826 4.6100 5.2259 5.2482 5.3324 5.4650 5.8617 5.9668 6.1647 6.1748 6.3778 6.3812 7.4968 7.5010 9.3176 9.3253 10.1503 10.1521 10.7865 10.7876 11.0584 11.0739 11.1710 11.1991 12.2156 12.2228 k = 0.5000 0.3778 0.5714 ( 6866 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.3984 -6.3946 -6.0570 -6.0567 -6.0513 -6.0507 -5.9965 -5.9931 -0.7737 -0.7600 -0.0641 -0.0521 -0.0296 0.0351 0.2516 0.2653 0.2983 0.3357 0.3387 0.3601 1.1607 1.1808 1.5262 1.5445 1.6379 1.7144 1.9158 1.9628 2.0017 2.1011 2.2262 2.2895 2.5980 2.6878 2.7267 2.7449 2.8020 2.9618 3.0228 3.0643 3.3155 3.3782 3.3892 3.5518 3.5893 3.6750 3.8736 3.9521 4.4496 4.4812 4.5689 4.5870 5.2178 5.2432 5.3465 5.4877 5.8000 5.9101 6.1270 6.1387 6.3676 6.3700 7.5473 7.5514 9.3759 9.3914 10.1451 10.1535 10.7388 10.7452 10.9976 11.0142 11.1560 11.1843 12.2153 12.2282 k = 0.5000 0.3778 0.5503 ( 6858 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4027 -6.3987 -6.0640 -6.0624 -6.0496 -6.0475 -5.9905 -5.9869 -0.7788 -0.7640 -0.0634 -0.0519 -0.0307 0.0397 0.2520 0.2646 0.2977 0.3349 0.3452 0.3598 1.1673 1.1871 1.5325 1.5520 1.6495 1.7327 1.9098 1.9583 1.9989 2.1056 2.2347 2.2943 2.5956 2.6932 2.7301 2.7560 2.8120 2.9713 3.0307 3.0575 3.3311 3.3756 3.3913 3.5542 3.6072 3.7099 3.8494 3.9270 4.4316 4.4694 4.5563 4.5657 5.2097 5.2388 5.3611 5.5102 5.7373 5.8514 6.0898 6.1030 6.3572 6.3587 7.5972 7.6011 9.4282 9.4533 10.1327 10.1498 10.6853 10.6982 10.9428 10.9594 11.1408 11.1703 12.2225 12.2378 k = 0.5000 0.3778 0.5291 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4078 -6.4036 -6.0719 -6.0700 -6.0454 -6.0429 -5.9842 -5.9805 -0.7843 -0.7687 -0.0629 -0.0521 -0.0319 0.0440 0.2523 0.2638 0.2971 0.3324 0.3530 0.3594 1.1734 1.1927 1.5396 1.5606 1.6618 1.7516 1.9038 1.9535 1.9968 2.1105 2.2444 2.2994 2.5953 2.6961 2.7359 2.7672 2.8236 2.9770 3.0393 3.0532 3.3358 3.3717 3.4028 3.5558 3.6297 3.7473 3.8254 3.8997 4.4154 4.4569 4.5440 4.5462 5.2014 5.2350 5.3760 5.5321 5.6742 5.7910 6.0532 6.0680 6.3465 6.3472 7.6461 7.6496 9.4725 9.5091 10.1123 10.1403 10.6264 10.6462 10.8951 10.9107 11.1255 11.1563 12.2392 12.2537 k = 0.5000 0.3778 0.5079 ( 6872 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4137 -6.4093 -6.0801 -6.0781 -6.0400 -6.0373 -5.9777 -5.9737 -0.7904 -0.7739 -0.0624 -0.0526 -0.0332 0.0477 0.2523 0.2630 0.2966 0.3298 0.3587 0.3606 1.1788 1.1972 1.5474 1.5703 1.6748 1.7708 1.8977 1.9484 1.9959 2.1163 2.2549 2.3047 2.5975 2.6963 2.7446 2.7784 2.8368 2.9776 3.0486 3.0548 3.3308 3.3666 3.4203 3.5567 3.6576 3.7786 3.8101 3.8708 4.4016 4.4439 4.5283 4.5315 5.1930 5.2322 5.3907 5.5529 5.6116 5.7295 6.0177 6.0342 6.3355 6.3356 7.6935 7.6964 9.5070 9.5571 10.0839 10.1245 10.5626 10.5890 10.8535 10.8672 11.1117 11.1435 12.2665 12.2734 k = 0.5000 0.3778 0.4868 ( 6864 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4203 -6.4158 -6.0885 -6.0864 -6.0336 -6.0307 -5.9709 -5.9668 -0.7968 -0.7797 -0.0621 -0.0533 -0.0344 0.0510 0.2520 0.2623 0.2964 0.3272 0.3580 0.3678 1.1831 1.2007 1.5560 1.5812 1.6885 1.7901 1.8917 1.9431 1.9963 2.1227 2.2660 2.3101 2.6019 2.6943 2.7557 2.7895 2.8517 2.9739 3.0590 3.0626 3.3209 3.3602 3.4374 3.5570 3.6914 3.7668 3.8404 3.8410 4.3902 4.4306 4.5118 4.5184 5.1843 5.2304 5.4051 5.5505 5.5721 5.6673 5.9837 6.0023 6.3239 6.3245 7.7392 7.7414 9.5306 9.5958 10.0484 10.1031 10.4950 10.5268 10.8147 10.8257 11.1021 11.1344 12.2918 12.3004 k = 0.5000 0.3778 0.4656 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4276 -6.4229 -6.0970 -6.0948 -6.0263 -6.0232 -5.9639 -5.9598 -0.8038 -0.7861 -0.0618 -0.0543 -0.0356 0.0535 0.2513 0.2616 0.2964 0.3244 0.3569 0.3744 1.1862 1.2029 1.5653 1.5931 1.7026 1.8092 1.8858 1.9378 1.9983 2.1297 2.2775 2.3157 2.6084 2.6906 2.7684 2.8002 2.8685 2.9688 3.0703 3.0751 3.3084 3.3525 3.4515 3.5568 3.7300 3.7429 3.8114 3.8853 4.3811 4.4169 4.4967 4.5044 5.1747 5.2298 5.4185 5.4918 5.5879 5.6056 5.9515 5.9731 6.3122 6.3134 7.7827 7.7840 9.5424 9.6239 10.0074 10.0769 10.4244 10.4607 10.7746 10.7826 11.0995 11.1314 12.3077 12.3139 k = 0.5000 0.3778 0.4444 ( 6886 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7672 -14.7508 -14.7506 -14.7106 -14.7106 -6.4354 -6.4307 -6.1057 -6.1034 -6.0182 -6.0150 -5.9568 -5.9526 -0.8112 -0.7930 -0.0616 -0.0557 -0.0369 0.0554 0.2500 0.2610 0.2968 0.3216 0.3557 0.3803 1.1880 1.2037 1.5752 1.6060 1.7172 1.8277 1.8800 1.9324 2.0021 2.1374 2.2892 2.3215 2.6161 2.6860 2.7820 2.8103 2.8874 2.9652 3.0827 3.0904 3.2942 3.3438 3.4622 3.5562 3.7185 3.7624 3.7925 3.9329 4.3742 4.4026 4.4829 4.4894 5.1630 5.2302 5.4300 5.4378 5.5418 5.6027 5.9216 5.9475 6.3004 6.3022 7.8238 7.8241 9.5423 9.6406 9.9629 10.0472 10.3518 10.3916 10.7295 10.7346 11.1060 11.1367 12.3209 12.3239 k = 0.5000 0.3778 0.4233 ( 6888 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4438 -6.4391 -6.1144 -6.1121 -6.0093 -6.0060 -5.9496 -5.9453 -0.8190 -0.8005 -0.0615 -0.0572 -0.0380 0.0565 0.2484 0.2604 0.2975 0.3188 0.3543 0.3854 1.1884 1.2032 1.5856 1.6196 1.7321 1.8450 1.8745 1.9275 2.0078 2.1456 2.3011 2.3273 2.6242 2.6807 2.7961 2.8198 2.9085 2.9652 3.0961 3.1077 3.2791 3.3344 3.4699 3.5554 3.6947 3.7436 3.8286 3.9821 4.3694 4.3877 4.4705 4.4732 5.1475 5.2315 5.3888 5.4410 5.4802 5.6110 5.8948 5.9270 6.2888 6.2912 7.8613 7.8622 9.5310 9.6454 9.9167 10.0150 10.2781 10.3207 10.6780 10.6807 11.1218 11.1503 12.3298 12.3304 k = 0.5000 0.3778 0.4021 ( 6876 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4524 -6.4478 -6.1231 -6.1207 -5.9998 -5.9965 -5.9423 -5.9380 -0.8271 -0.8085 -0.0614 -0.0588 -0.0391 0.0569 0.2464 0.2598 0.2986 0.3161 0.3527 0.3897 1.1874 1.2013 1.5963 1.6336 1.7475 1.8604 1.8693 1.9237 2.0156 2.1544 2.3131 2.3331 2.6312 2.6751 2.8101 2.8288 2.9319 2.9703 3.1106 3.1264 3.2636 3.3246 3.4755 3.5547 3.6720 3.7146 3.8779 4.0319 4.3664 4.3717 4.4560 4.4596 5.1259 5.2331 5.3498 5.4204 5.4484 5.6131 5.8718 5.9130 6.2772 6.2802 7.8955 7.8976 9.5096 9.6383 9.8702 9.9806 10.2042 10.2489 10.6207 10.6215 11.1455 11.1714 12.3294 12.3300 k = 0.5000 0.3778 0.3810 ( 6884 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7106 -14.7106 -6.4614 -6.4569 -6.1317 -6.1292 -5.9898 -5.9864 -5.9350 -5.9308 -0.8356 -0.8170 -0.0614 -0.0606 -0.0401 0.0564 0.2440 0.2593 0.3000 0.3133 0.3509 0.3932 1.1852 1.1982 1.6072 1.6477 1.7631 1.8647 1.8726 1.9222 2.0255 2.1635 2.3252 2.3389 2.6359 2.6694 2.8233 2.8374 2.9574 2.9811 3.1259 3.1462 3.2483 3.3149 3.4798 3.5542 3.6510 3.6854 3.9295 4.0815 4.3543 4.3649 4.4376 4.4505 5.0962 5.2327 5.3220 5.3645 5.4521 5.6079 5.8535 5.9065 6.2658 6.2695 7.9264 7.9298 9.4799 9.6201 9.8242 9.9440 10.1305 10.1770 10.5588 10.5596 11.1753 11.1981 12.3161 12.3166 k = 0.5000 0.3778 0.3598 ( 6888 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7107 -14.7106 -6.4705 -6.4661 -6.1401 -6.1377 -5.9793 -5.9760 -5.9277 -5.9236 -0.8443 -0.8259 -0.0624 -0.0614 -0.0410 0.0552 0.2415 0.2589 0.3017 0.3105 0.3491 0.3957 1.1818 1.1940 1.6181 1.6616 1.7788 1.8609 1.8796 1.9250 2.0374 2.1730 2.3375 2.3446 2.6374 2.6639 2.8351 2.8452 2.9846 2.9975 3.1420 3.1668 3.2343 3.3057 3.4836 3.5542 3.6323 3.6570 3.9817 4.1303 4.3355 4.3647 4.4183 4.4433 5.0587 5.2235 5.3054 5.3197 5.4514 5.5950 5.8407 5.9076 6.2546 6.2590 7.9539 7.9586 9.4436 9.5922 9.7785 9.9049 10.0579 10.1057 10.4947 10.4968 11.2091 11.2283 12.2882 12.2888 k = 0.5000 0.3778 0.3386 ( 6892 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7672 -14.7671 -14.7508 -14.7506 -14.7107 -14.7106 -6.4797 -6.4754 -6.1484 -6.1460 -5.9686 -5.9653 -5.9206 -5.9165 -0.8533 -0.8351 -0.0641 -0.0614 -0.0419 0.0531 0.2389 0.2584 0.3035 0.3078 0.3472 0.3974 1.1774 1.1888 1.6290 1.6750 1.7943 1.8583 1.8812 1.9326 2.0510 2.1826 2.3500 2.3501 2.6356 2.6589 2.8450 2.8515 3.0125 3.0191 3.1586 3.1875 3.2226 3.2978 3.4883 3.5547 3.6168 3.6294 4.0337 4.1773 4.3158 4.3648 4.3991 4.4379 5.0157 5.1932 5.2980 5.2984 5.4455 5.5754 5.8342 5.9153 6.2437 6.2488 7.9778 7.9838 9.4025 9.5566 9.7324 9.8630 9.9867 10.0355 10.4316 10.4346 11.2450 11.2602 12.2491 12.2509 k = 0.5000 0.3778 0.3175 ( 6892 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7506 -14.7107 -14.7106 -6.4888 -6.4847 -6.1564 -6.1540 -5.9577 -5.9545 -5.9135 -5.9096 -0.8623 -0.8446 -0.0657 -0.0615 -0.0427 0.0503 0.2363 0.2580 0.3053 0.3054 0.3452 0.3984 1.1722 1.1828 1.6395 1.6873 1.8090 1.8578 1.8794 1.9432 2.0661 2.1921 2.3553 2.3627 2.6310 2.6546 2.8524 2.8554 3.0401 3.0447 3.1757 3.2048 3.2173 3.2915 3.4951 3.5549 3.6029 3.6067 4.0847 4.2196 4.2972 4.3610 4.3842 4.4343 4.9697 5.1454 5.2969 5.2971 5.4341 5.5503 5.8341 5.9283 6.2331 6.2389 7.9981 8.0054 9.3581 9.5154 9.6855 9.8184 9.9173 9.9668 10.3712 10.3748 11.2814 11.2921 12.2046 12.2074 k = 0.5000 0.3778 0.2963 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7671 -14.7508 -14.7506 -14.7107 -14.7107 -6.4978 -6.4939 -6.1641 -6.1618 -5.9468 -5.9438 -5.9067 -5.9029 -0.8714 -0.8543 -0.0672 -0.0616 -0.0434 0.0467 0.2340 0.2575 0.3028 0.3073 0.3434 0.3986 1.1664 1.1763 1.6497 1.6984 1.8215 1.8608 1.8762 1.9551 2.0822 2.2015 2.3603 2.3755 2.6244 2.6511 2.8558 2.8570 3.0661 3.0727 3.1930 3.2060 3.2314 3.2873 3.5057 3.5535 3.5775 3.6048 4.1340 4.2431 4.2937 4.3457 4.3815 4.4325 4.9228 5.0917 5.3008 5.3036 5.4176 5.5209 5.8402 5.9451 6.2229 6.2295 8.0148 8.0231 9.3116 9.4701 9.6380 9.7714 9.8502 9.9000 10.3150 10.3189 11.3168 11.3224 12.1583 12.1617 k = 0.5000 0.3778 0.2751 ( 6890 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7508 -14.7506 -14.7107 -14.7107 -6.5065 -6.5028 -6.1715 -6.1693 -5.9360 -5.9331 -5.9000 -5.8964 -0.8805 -0.8641 -0.0685 -0.0617 -0.0442 0.0424 0.2318 0.2569 0.3005 0.3090 0.3417 0.3980 1.1602 1.1693 1.6593 1.7079 1.8298 1.8693 1.8725 1.9675 2.0988 2.2106 2.3648 2.3882 2.6165 2.6483 2.8521 2.8585 3.0895 3.1011 3.2068 3.2099 3.2487 3.2852 3.5210 3.5499 3.5541 3.6131 4.1802 4.2306 4.3221 4.3251 4.3855 4.4324 4.8762 5.0368 5.3075 5.3136 5.3964 5.4883 5.8518 5.9644 6.2132 6.2206 8.0279 8.0371 9.2642 9.4214 9.5908 9.7229 9.7856 9.8353 10.2637 10.2677 11.3496 11.3499 12.1122 12.1160 k = 0.5000 0.3778 0.2540 ( 6888 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7508 -14.7506 -14.7107 -14.7107 -6.5149 -6.5115 -6.1785 -6.1764 -5.9254 -5.9227 -5.8936 -5.8902 -0.8894 -0.8739 -0.0695 -0.0618 -0.0448 0.0374 0.2299 0.2563 0.2985 0.3106 0.3402 0.3969 1.1538 1.1621 1.6683 1.7157 1.8345 1.8689 1.8830 1.9803 2.1157 2.2191 2.3690 2.4004 2.6083 2.6463 2.8445 2.8568 3.1098 3.1279 3.2131 3.2256 3.2631 3.2850 3.5248 3.5461 3.5507 3.6309 4.2070 4.2207 4.3061 4.3571 4.3921 4.4342 4.8310 4.9825 5.3157 5.3252 5.3719 5.4532 5.8681 5.9853 6.2040 6.2122 8.0376 8.0473 9.2166 9.3699 9.5454 9.6740 9.7241 9.7733 10.2176 10.2215 11.3722 11.3792 12.0675 12.0710 k = 0.5000 0.3778 0.2328 ( 6880 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7507 -14.7506 -14.7107 -14.7107 -6.5229 -6.5197 -6.1851 -6.1831 -5.9152 -5.9127 -5.8876 -5.8844 -0.8981 -0.8835 -0.0702 -0.0619 -0.0453 0.0319 0.2285 0.2555 0.2967 0.3117 0.3392 0.3952 1.1474 1.1549 1.6766 1.7217 1.8377 1.8657 1.8996 1.9932 2.1325 2.2270 2.3729 2.4119 2.6003 2.6448 2.8335 2.8521 3.1268 3.1517 3.2251 3.2394 3.2738 3.2864 3.5046 3.5440 3.5805 3.6568 4.1810 4.2422 4.3022 4.3895 4.4003 4.4384 4.7878 4.9293 5.3207 5.3373 5.3487 5.4164 5.8881 6.0070 6.1954 6.2046 8.0440 8.0540 9.1698 9.3162 9.5031 9.6256 9.6662 9.7142 10.1767 10.1804 11.3886 11.4032 12.0124 12.0242 k = 0.5000 0.3778 0.2116 ( 6880 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7507 -14.7506 -14.7107 -14.7107 -6.5305 -6.5275 -6.1913 -6.1894 -5.9054 -5.9031 -5.8818 -5.8790 -0.9064 -0.8929 -0.0706 -0.0620 -0.0457 0.0260 0.2273 0.2545 0.2952 0.3125 0.3387 0.3930 1.1410 1.1478 1.6842 1.7259 1.8406 1.8630 1.9177 2.0062 2.1489 2.2342 2.3764 2.4220 2.5931 2.6436 2.8200 2.8450 3.1409 3.1720 3.2418 3.2501 3.2808 3.2893 3.4842 3.5445 3.6194 3.6896 4.1543 4.2317 4.3264 4.4105 4.4159 4.4469 4.7470 4.8780 5.3028 5.3466 5.3469 5.3805 5.9108 6.0288 6.1876 6.1976 8.0474 8.0573 9.1245 9.2613 9.4647 9.5787 9.6127 9.6587 10.1406 10.1440 11.3971 11.4199 11.9379 11.9545 k = 0.5000 0.3778 0.1905 ( 6886 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5375 -6.5348 -6.1970 -6.1952 -5.8962 -5.8942 -5.8765 -5.8740 -0.9143 -0.9020 -0.0708 -0.0621 -0.0460 0.0197 0.2266 0.2533 0.2941 0.3125 0.3389 0.3905 1.1349 1.1410 1.6909 1.7286 1.8436 1.8608 1.9365 2.0190 2.1645 2.2404 2.3797 2.4302 2.5872 2.6421 2.8053 2.8362 3.1525 3.1894 3.2569 3.2607 3.2852 3.2939 3.4657 3.5476 3.6643 3.7275 4.1277 4.2093 4.3579 4.4229 4.4330 4.4626 4.7091 4.8288 5.2709 5.3295 5.3569 5.3699 5.9353 6.0497 6.1809 6.1915 8.0481 8.0575 9.0815 9.2064 9.4307 9.5335 9.5645 9.6073 10.1090 10.1119 11.3964 11.4274 11.8720 11.8934 k = 0.5000 0.3778 0.1693 ( 6882 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7671 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5438 -6.5414 -6.2021 -6.2005 -5.8876 -5.8859 -5.8716 -5.8694 -0.9217 -0.9105 -0.0706 -0.0622 -0.0462 0.0133 0.2263 0.2519 0.2933 0.3121 0.3397 0.3876 1.1291 1.1345 1.6969 1.7301 1.8467 1.8593 1.9556 2.0316 2.1793 2.2457 2.3829 2.4361 2.5828 2.6399 2.7906 2.8266 3.1621 3.2045 3.2599 3.2766 3.2906 3.3003 3.4505 3.5530 3.7130 3.7686 4.1023 4.1843 4.3869 4.4384 4.4443 4.4818 4.6746 4.7822 5.2357 5.2897 5.3689 5.3801 5.9606 6.0690 6.1754 6.1863 8.0465 8.0552 9.0414 9.1530 9.4009 9.4907 9.5222 9.5603 10.0814 10.0840 11.3858 11.4235 11.8189 11.8449 k = 0.5000 0.3778 0.1481 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5496 -6.5475 -6.2067 -6.2053 -5.8798 -5.8784 -5.8671 -5.8653 -0.9284 -0.9185 -0.0701 -0.0623 -0.0461 0.0067 0.2264 0.2502 0.2930 0.3111 0.3412 0.3845 1.1239 1.1286 1.7020 1.7306 1.8498 1.8584 1.9748 2.0436 2.1929 2.2499 2.3860 2.4395 2.5798 2.6364 2.7774 2.8170 3.1701 3.2173 3.2601 3.2818 3.3029 3.3079 3.4406 3.5598 3.7634 3.8105 4.0788 4.1585 4.4112 4.4552 4.4574 4.4993 4.6438 4.7385 5.1992 5.2473 5.3809 5.3914 5.9859 6.0856 6.1719 6.1823 8.0432 8.0509 9.0051 9.1025 9.3752 9.4509 9.4859 9.5181 10.0576 10.0598 11.3664 11.4075 11.7808 11.8093 k = 0.5000 0.3778 0.1270 ( 6882 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5546 -6.5528 -6.2107 -6.2094 -5.8728 -5.8718 -5.8631 -5.8617 -0.9343 -0.9257 -0.0693 -0.0625 -0.0458 0.0001 0.2268 0.2484 0.2929 0.3097 0.3431 0.3812 1.1192 1.1232 1.7064 1.7303 1.8527 1.8580 1.9936 2.0546 2.2053 2.2531 2.3893 2.4403 2.5779 2.6312 2.7667 2.8079 3.1768 3.2272 3.2588 3.2813 3.3150 3.3156 3.4386 3.5668 3.8131 3.8505 4.0587 4.1327 4.4312 4.4673 4.4788 4.5135 4.6172 4.6983 5.1624 5.2044 5.3924 5.4020 6.0101 6.0982 6.1710 6.1795 8.0386 8.0451 8.9732 9.0561 9.3534 9.4150 9.4552 9.4812 10.0373 10.0392 11.3409 11.3814 11.7570 11.7848 k = 0.5000 0.3778 0.1058 ( 6882 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5589 -6.5574 -6.2141 -6.2131 -5.8668 -5.8662 -5.8595 -5.8586 -0.9394 -0.9322 -0.0684 -0.0626 -0.0451 -0.0063 0.2276 0.2464 0.2933 0.3081 0.3454 0.3778 1.1151 1.1185 1.7102 1.7296 1.8552 1.8581 2.0117 2.0643 2.2163 2.2551 2.3928 2.4389 2.5767 2.6243 2.7593 2.7999 3.1829 3.2341 3.2568 3.2782 3.3229 3.3230 3.4459 3.5725 3.8603 3.8860 4.0434 4.1073 4.4489 4.4812 4.5003 4.5235 4.5953 4.6620 5.1263 5.1622 5.4030 5.4114 6.0323 6.1060 6.1731 6.1783 8.0333 8.0385 8.9463 9.0147 9.3353 9.3836 9.4297 9.4498 10.0204 10.0220 11.3130 11.3498 11.7440 11.7689 k = 0.5000 0.3778 0.0847 ( 6878 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5625 -6.5612 -6.2169 -6.2161 -5.8618 -5.8617 -5.8564 -5.8561 -0.9435 -0.9377 -0.0674 -0.0627 -0.0439 -0.0125 0.2287 0.2442 0.2940 0.3064 0.3480 0.3743 1.1118 1.1145 1.7134 1.7285 1.8573 1.8585 2.0286 2.0720 2.2258 2.2561 2.3966 2.4358 2.5759 2.6161 2.7556 2.7927 3.1890 3.2379 3.2547 3.2723 3.3281 3.3296 3.4608 3.5755 3.9027 3.9147 4.0342 4.0830 4.4656 4.4968 4.5199 4.5292 4.5788 4.6300 5.0927 5.1220 5.4123 5.4194 6.0517 6.1092 6.1773 6.1785 8.0280 8.0320 8.9249 8.9790 9.3209 9.3571 9.4092 9.4239 10.0067 10.0080 11.2865 11.3173 11.7382 11.7586 k = 0.5000 0.3778 0.0635 ( 6882 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5652 -6.5643 -6.2191 -6.2184 -5.8582 -5.8579 -5.8540 -5.8539 -0.9466 -0.9423 -0.0664 -0.0630 -0.0422 -0.0184 0.2300 0.2420 0.2950 0.3045 0.3509 0.3708 1.1092 1.1112 1.7161 1.7271 1.8588 1.8590 2.0440 2.0774 2.2338 2.2561 2.4008 2.4316 2.5757 2.6071 2.7554 2.7861 3.1955 3.2387 3.2529 3.2645 3.3325 3.3350 3.4803 3.5744 3.9358 3.9384 4.0313 4.0607 4.4814 4.5129 4.5306 4.5363 4.5681 4.6030 5.0633 5.0857 5.4201 5.4255 6.0679 6.1090 6.1802 6.1821 8.0231 8.0260 8.9093 8.9494 9.3101 9.3356 9.3936 9.4037 9.9962 9.9971 11.2641 11.2879 11.7365 11.7519 k = 0.5000 0.3778 0.0423 ( 6860 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5671 -6.5665 -6.2206 -6.2202 -5.8557 -5.8552 -5.8524 -5.8520 -0.9487 -0.9458 -0.0654 -0.0632 -0.0398 -0.0238 0.2317 0.2398 0.2962 0.3027 0.3540 0.3673 1.1075 1.1088 1.7184 1.7257 1.8596 1.8598 2.0572 2.0800 2.2405 2.2551 2.4054 2.4266 2.5767 2.5983 2.7579 2.7799 3.2030 3.2363 3.2515 3.2570 3.3365 3.3388 3.5017 3.5684 3.9512 3.9648 4.0320 4.0422 4.4960 4.5264 4.5304 4.5485 4.5623 4.5814 5.0406 5.0558 5.4261 5.4298 6.0806 6.1067 6.1828 6.1858 8.0194 8.0212 8.8998 8.9263 9.3031 9.3193 9.3829 9.3890 9.9887 9.9894 11.2480 11.2641 11.7370 11.7472 k = 0.5000 0.3778 0.0212 ( 6860 PWs) bands (ev): -15.7915 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5682 -6.5679 -6.2215 -6.2213 -5.8542 -5.8538 -5.8512 -5.8509 -0.9497 -0.9482 -0.0646 -0.0635 -0.0368 -0.0287 0.2335 0.2376 0.2976 0.3009 0.3571 0.3638 1.1065 1.1072 1.7205 1.7241 1.8601 1.8603 2.0677 2.0793 2.2458 2.2530 2.4104 2.4212 2.5793 2.5903 2.7623 2.7738 3.2115 3.2298 3.2508 3.2525 3.3395 3.3409 3.5227 3.5573 3.9638 3.9772 4.0316 4.0323 4.5086 4.5242 4.5410 4.5545 4.5604 4.5661 5.0270 5.0347 5.4301 5.4320 6.0902 6.1028 6.1855 6.1876 8.0171 8.0180 8.8966 8.9098 9.3003 9.3081 9.3769 9.3798 9.9843 9.9846 11.2395 11.2477 11.7386 11.7438 k = 0.5000 0.3778 0.0000 ( 6862 PWs) bands (ev): -15.7914 -15.7914 -15.7601 -15.7601 -14.7670 -14.7670 -14.7507 -14.7507 -14.7107 -14.7107 -6.5685 -6.5685 -6.2217 -6.2217 -5.8536 -5.8536 -5.8506 -5.8506 -0.9495 -0.9495 -0.0640 -0.0640 -0.0331 -0.0331 0.2355 0.2355 0.2992 0.2992 0.3604 0.3604 1.1064 1.1064 1.7223 1.7223 1.8604 1.8604 2.0752 2.0752 2.2500 2.2500 2.4157 2.4157 2.5839 2.5839 2.7679 2.7679 3.2207 3.2207 3.2509 3.2509 3.3410 3.3410 3.5417 3.5417 3.9742 3.9742 4.0308 4.0308 4.5181 4.5181 4.5502 4.5502 4.5610 4.5610 5.0248 5.0248 5.4321 5.4321 6.0974 6.0974 6.1873 6.1873 8.0166 8.0166 8.8999 8.8999 9.3019 9.3019 9.3758 9.3758 9.9830 9.9830 11.2394 11.2394 11.7409 11.7409 k = 0.0000 0.0000 0.8294 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7674 -14.7507 -14.7507 -14.7105 -14.7105 -6.3854 -6.3854 -6.0574 -6.0574 -6.0336 -6.0336 -6.0042 -6.0042 -0.7447 -0.7447 -0.0703 -0.0703 -0.0142 -0.0142 0.2544 0.2544 0.2934 0.2934 0.3574 0.3574 1.1161 1.1161 1.5010 1.5010 1.5800 1.5800 1.9742 1.9742 2.0597 2.0597 2.2272 2.2272 2.6517 2.6517 2.6858 2.6858 2.8026 2.8026 2.9642 2.9642 3.3526 3.3526 3.4519 3.4519 3.5179 3.5179 4.0516 4.0516 4.5570 4.5570 4.8061 4.8061 5.2713 5.2713 5.2898 5.2898 6.2952 6.2952 6.4112 6.4112 6.5063 6.5063 7.0946 7.0946 8.8122 8.8122 10.0779 10.0779 10.9841 10.9841 11.2251 11.2251 11.7310 11.7310 11.9724 11.9724 k = 0.0167 0.0126 0.8294 ( 6886 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7674 -14.7507 -14.7507 -14.7105 -14.7105 -6.3854 -6.3854 -6.0574 -6.0574 -6.0335 -6.0335 -6.0043 -6.0043 -0.7446 -0.7446 -0.0703 -0.0703 -0.0142 -0.0142 0.2544 0.2544 0.2934 0.2934 0.3574 0.3574 1.1160 1.1160 1.5014 1.5014 1.5799 1.5799 1.9746 1.9746 2.0595 2.0595 2.2279 2.2279 2.6499 2.6499 2.6865 2.6865 2.8026 2.8026 2.9640 2.9640 3.3498 3.3498 3.4506 3.4506 3.5184 3.5184 4.0560 4.0560 4.5585 4.5585 4.8057 4.8057 5.2680 5.2680 5.2926 5.2926 6.2955 6.2955 6.4101 6.4101 6.5035 6.5035 7.0971 7.0971 8.8108 8.8108 10.0814 10.0814 10.9836 10.9836 11.2252 11.2252 11.7300 11.7300 11.9678 11.9678 k = 0.0333 0.0252 0.8294 ( 6862 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7674 -14.7674 -14.7507 -14.7507 -14.7105 -14.7105 -6.3854 -6.3854 -6.0574 -6.0574 -6.0333 -6.0333 -6.0045 -6.0045 -0.7445 -0.7445 -0.0702 -0.0702 -0.0141 -0.0141 0.2544 0.2544 0.2934 0.2934 0.3575 0.3575 1.1158 1.1158 1.5023 1.5023 1.5798 1.5798 1.9756 1.9756 2.0592 2.0592 2.2300 2.2300 2.6449 2.6449 2.6883 2.6883 2.8026 2.8026 2.9638 2.9638 3.3415 3.3415 3.4477 3.4477 3.5195 3.5195 4.0690 4.0690 4.5627 4.5627 4.8045 4.8045 5.2575 5.2575 5.3015 5.3015 6.2965 6.2965 6.4066 6.4066 6.4955 6.4955 7.1046 7.1046 8.8069 8.8069 10.0918 10.0918 10.9821 10.9821 11.2257 11.2257 11.7268 11.7268 11.9543 11.9543 k = 0.0500 0.0378 0.8294 ( 6862 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3853 -6.3853 -6.0575 -6.0575 -6.0329 -6.0329 -6.0049 -6.0049 -0.7444 -0.7444 -0.0702 -0.0702 -0.0141 -0.0141 0.2544 0.2544 0.2933 0.2933 0.3575 0.3575 1.1153 1.1153 1.5038 1.5038 1.5794 1.5794 1.9773 1.9773 2.0586 2.0586 2.2335 2.2335 2.6370 2.6370 2.6907 2.6907 2.8025 2.8025 2.9633 2.9633 3.3282 3.3282 3.4442 3.4442 3.5202 3.5202 4.0900 4.0900 4.5694 4.5694 4.8026 4.8026 5.2399 5.2399 5.3168 5.3168 6.2982 6.2982 6.3999 6.3999 6.4831 6.4831 7.1166 7.1166 8.8004 8.8004 10.1089 10.1089 10.9795 10.9795 11.2265 11.2265 11.7217 11.7217 11.9327 11.9327 k = 0.0667 0.0504 0.8294 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3853 -6.3853 -6.0575 -6.0575 -6.0324 -6.0324 -6.0055 -6.0055 -0.7442 -0.7442 -0.0702 -0.0702 -0.0140 -0.0140 0.2543 0.2543 0.2932 0.2932 0.3575 0.3575 1.1148 1.1148 1.5058 1.5058 1.5789 1.5789 1.9796 1.9796 2.0577 2.0577 2.2385 2.2385 2.6265 2.6265 2.6934 2.6934 2.8024 2.8024 2.9629 2.9629 3.3106 3.3106 3.4412 3.4412 3.5197 3.5197 4.1181 4.1181 4.5783 4.5783 4.8000 4.8000 5.2157 5.2157 5.3383 5.3383 6.3005 6.3005 6.3884 6.3884 6.4683 6.4683 7.1327 7.1327 8.7916 8.7916 10.1325 10.1325 10.9754 10.9754 11.2277 11.2277 11.7147 11.7147 11.9044 11.9044 k = 0.0833 0.0630 0.8294 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3853 -6.3853 -6.0575 -6.0575 -6.0317 -6.0317 -6.0062 -6.0062 -0.7440 -0.7440 -0.0701 -0.0701 -0.0139 -0.0139 0.2543 0.2543 0.2930 0.2930 0.3575 0.3575 1.1141 1.1141 1.5083 1.5083 1.5783 1.5783 1.9823 1.9823 2.0565 2.0565 2.2450 2.2450 2.6138 2.6138 2.6962 2.6962 2.8024 2.8024 2.9628 2.9628 3.2900 3.2900 3.4390 3.4390 3.5179 3.5179 4.1525 4.1525 4.5888 4.5888 4.7965 4.7965 5.1854 5.1854 5.3657 5.3657 6.3034 6.3034 6.3700 6.3700 6.4536 6.4536 7.1521 7.1521 8.7808 8.7808 10.1622 10.1622 10.9694 10.9694 11.2292 11.2292 11.7058 11.7058 11.8712 11.8712 k = 0.1000 0.0756 0.8294 ( 6876 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3852 -6.3852 -6.0575 -6.0575 -6.0310 -6.0310 -6.0070 -6.0070 -0.7437 -0.7437 -0.0701 -0.0701 -0.0138 -0.0138 0.2542 0.2542 0.2929 0.2929 0.3575 0.3575 1.1133 1.1133 1.5111 1.5111 1.5776 1.5776 1.9855 1.9855 2.0553 2.0553 2.2530 2.2530 2.5988 2.5988 2.6991 2.6991 2.8023 2.8023 2.9630 2.9630 3.2676 3.2676 3.4375 3.4375 3.5149 3.5149 4.1922 4.1922 4.6006 4.6006 4.7924 4.7924 5.1497 5.1497 5.3987 5.3987 6.3067 6.3067 6.3432 6.3432 6.4411 6.4411 7.1740 7.1740 8.7684 8.7684 10.1974 10.1974 10.9612 10.9612 11.2309 11.2309 11.6951 11.6951 11.8352 11.8352 k = 0.1167 0.0882 0.8294 ( 6870 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3852 -6.3852 -6.0576 -6.0576 -6.0300 -6.0300 -6.0080 -6.0080 -0.7434 -0.7434 -0.0700 -0.0700 -0.0137 -0.0137 0.2542 0.2542 0.2928 0.2928 0.3575 0.3575 1.1125 1.1125 1.5143 1.5143 1.5767 1.5767 1.9891 1.9891 2.0538 2.0538 2.2627 2.2627 2.5818 2.5818 2.7020 2.7020 2.8021 2.8021 2.9638 2.9638 3.2445 3.2445 3.4366 3.4366 3.5112 3.5112 4.2362 4.2362 4.6131 4.6131 4.7876 4.7876 5.1093 5.1093 5.4370 5.4370 6.3049 6.3049 6.3141 6.3141 6.4310 6.4310 7.1974 7.1974 8.7548 8.7548 10.2377 10.2377 10.9500 10.9500 11.2329 11.2329 11.6826 11.6826 11.7989 11.7989 k = 0.1333 0.1007 0.8294 ( 6868 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3852 -6.3852 -6.0576 -6.0576 -6.0290 -6.0290 -6.0090 -6.0090 -0.7431 -0.7431 -0.0700 -0.0700 -0.0136 -0.0136 0.2542 0.2542 0.2926 0.2926 0.3575 0.3575 1.1117 1.1117 1.5175 1.5175 1.5758 1.5758 1.9929 1.9929 2.0522 2.0522 2.2739 2.2739 2.5630 2.5630 2.7048 2.7048 2.8019 2.8019 2.9653 2.9653 3.2215 3.2215 3.4361 3.4361 3.5069 3.5069 4.2839 4.2839 4.6259 4.6259 4.7821 4.7821 5.0649 5.0649 5.4802 5.4802 6.2653 6.2653 6.3162 6.3162 6.4225 6.4225 7.2213 7.2213 8.7406 8.7406 10.2823 10.2823 10.9351 10.9351 11.2350 11.2350 11.6682 11.6682 11.7646 11.7646 k = 0.1500 0.1133 0.8294 ( 6888 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3851 -6.3851 -6.0576 -6.0576 -6.0279 -6.0279 -6.0102 -6.0102 -0.7428 -0.7428 -0.0699 -0.0699 -0.0136 -0.0136 0.2541 0.2541 0.2924 0.2924 0.3575 0.3575 1.1109 1.1109 1.5208 1.5208 1.5747 1.5747 1.9967 1.9967 2.0503 2.0503 2.2868 2.2868 2.5427 2.5427 2.7075 2.7075 2.8016 2.8016 2.9676 2.9676 3.1992 3.1992 3.4359 3.4359 3.5024 3.5024 4.3344 4.3344 4.6386 4.6386 4.7759 4.7759 5.0171 5.0171 5.5277 5.5277 6.2181 6.2181 6.3210 6.3210 6.4150 6.4150 7.2447 7.2447 8.7263 8.7263 10.3305 10.3305 10.9159 10.9159 11.2370 11.2370 11.6518 11.6518 11.7347 11.7347 k = 0.1667 0.1259 0.8294 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3851 -6.3851 -6.0577 -6.0577 -6.0266 -6.0266 -6.0115 -6.0115 -0.7426 -0.7426 -0.0699 -0.0699 -0.0134 -0.0134 0.2541 0.2541 0.2923 0.2923 0.3575 0.3575 1.1101 1.1101 1.5240 1.5240 1.5735 1.5735 2.0007 2.0007 2.0484 2.0484 2.3013 2.3013 2.5212 2.5212 2.7101 2.7101 2.8012 2.8012 2.9708 2.9708 3.1784 3.1784 3.4360 3.4360 3.4982 3.4982 4.3872 4.3872 4.6511 4.6511 4.7692 4.7692 4.9667 4.9667 5.5790 5.5790 6.1665 6.1665 6.3261 6.3261 6.4081 6.4081 7.2667 7.2667 8.7126 8.7126 10.3814 10.3814 10.8916 10.8916 11.2388 11.2388 11.6340 11.6340 11.7108 11.7108 k = 0.1833 0.1385 0.8294 ( 6884 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3850 -6.3850 -6.0577 -6.0577 -6.0254 -6.0254 -6.0128 -6.0128 -0.7423 -0.7423 -0.0698 -0.0698 -0.0134 -0.0134 0.2540 0.2540 0.2922 0.2922 0.3575 0.3575 1.1094 1.1094 1.5269 1.5269 1.5724 1.5724 2.0044 2.0044 2.0464 2.0464 2.3172 2.3172 2.4989 2.4989 2.7124 2.7124 2.8008 2.8008 2.9746 2.9746 3.1597 3.1597 3.4362 3.4362 3.4943 3.4943 4.4415 4.4415 4.6630 4.6630 4.7620 4.7620 4.9144 4.9144 5.6336 5.6336 6.1115 6.1115 6.3314 6.3314 6.4016 6.4016 7.2862 7.2862 8.7003 8.7003 10.4340 10.4340 10.8622 10.8622 11.2404 11.2404 11.6165 11.6165 11.6927 11.6927 k = 0.2000 0.1511 0.8294 ( 6890 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3850 -6.3850 -6.0577 -6.0577 -6.0240 -6.0240 -6.0141 -6.0141 -0.7421 -0.7421 -0.0698 -0.0698 -0.0133 -0.0133 0.2540 0.2540 0.2921 0.2921 0.3575 0.3575 1.1089 1.1089 1.5295 1.5295 1.5714 1.5714 2.0077 2.0077 2.0445 2.0445 2.3343 2.3343 2.4766 2.4766 2.7143 2.7143 2.8003 2.8003 2.9786 2.9786 3.1437 3.1437 3.4364 3.4364 3.4911 3.4911 4.4966 4.4966 4.6738 4.6738 4.7543 4.7543 4.8612 4.8612 5.6909 5.6909 6.0538 6.0538 6.3365 6.3365 6.3956 6.3956 7.3025 7.3025 8.6898 8.6898 10.4867 10.4867 10.8282 10.8282 11.2416 11.2416 11.6013 11.6013 11.6797 11.6797 k = 0.2167 0.1637 0.8294 ( 6882 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3850 -6.3850 -6.0577 -6.0577 -6.0228 -6.0228 -6.0154 -6.0154 -0.7420 -0.7420 -0.0697 -0.0697 -0.0133 -0.0133 0.2540 0.2540 0.2920 0.2920 0.3575 0.3575 1.1085 1.1085 1.5315 1.5315 1.5705 1.5705 2.0104 2.0104 2.0428 2.0428 2.3520 2.3520 2.4549 2.4549 2.7158 2.7158 2.7999 2.7999 2.9824 2.9824 3.1313 3.1313 3.4367 3.4367 3.4887 3.4887 4.5513 4.5513 4.6832 4.6832 4.7453 4.7453 4.8098 4.8098 5.7501 5.7501 5.9942 5.9942 6.3411 6.3411 6.3904 6.3904 7.3147 7.3147 8.6819 8.6819 10.5371 10.5371 10.7914 10.7914 11.2424 11.2424 11.5899 11.5899 11.6707 11.6707 k = 0.2333 0.1763 0.8294 ( 6878 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3850 -6.3850 -6.0577 -6.0577 -6.0217 -6.0217 -6.0165 -6.0165 -0.7419 -0.7419 -0.0697 -0.0697 -0.0132 -0.0132 0.2540 0.2540 0.2920 0.2920 0.3575 0.3575 1.1082 1.1082 1.5328 1.5328 1.5700 1.5700 2.0123 2.0123 2.0417 2.0417 2.3682 2.3682 2.4362 2.4362 2.7168 2.7168 2.7997 2.7997 2.9851 2.9851 3.1233 3.1233 3.4369 3.4369 3.4872 3.4872 4.6021 4.6021 4.6904 4.6904 4.7295 4.7295 4.7699 4.7699 5.8106 5.8106 5.9335 5.9335 6.3444 6.3444 6.3868 6.3868 7.3222 7.3222 8.6769 8.6769 10.5794 10.5794 10.7573 10.7573 11.2429 11.2429 11.5830 11.5830 11.6655 11.6655 k = 0.2500 0.1889 0.8294 ( 6888 PWs) bands (ev): -15.7915 -15.7915 -15.7601 -15.7601 -14.7673 -14.7673 -14.7507 -14.7507 -14.7105 -14.7105 -6.3850 -6.3850 -6.0577 -6.0577 -6.0212 -6.0212 -6.0170 -6.0170 -0.7418 -0.7418 -0.0697 -0.0697 -0.0132 -0.0132 0.2540 0.2540 0.2919 0.2919 0.3575 0.3575 1.1081 1.1081 1.5332 1.5332 1.5698 1.5698 2.0129 2.0129 2.0412 2.0412 2.3763 2.3763 2.4273 2.4273 2.7171 2.7171 2.7996 2.7996 2.9861 2.9861 3.1205 3.1205 3.4369 3.4369 3.4867 3.4867 4.6302 4.6302 4.6956 4.6956 4.7087 4.7087 4.7581 4.7581 5.8692 5.8692 5.8748 5.8748 6.3457 6.3457 6.3854 6.3854 7.3248 7.3248 8.6752 8.6752 10.5985 10.5985 10.7411 10.7411 11.2431 11.2431 11.5806 11.5806 11.6637 11.6637 Writing output data file ZnAg2SnS4.save init_run : 1.66s CPU 0.95s WALL ( 1 calls) electrons : 530.72s CPU 437.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.19s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 530.72s CPU 437.37s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.47s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.41s CPU 0.47s WALL ( 273 calls) cegterg : 442.98s CPU 388.81s WALL ( 375 calls) Called by sum_band: Called by *egterg: h_psi : 325.03s CPU 242.86s WALL ( 6094 calls) s_psi : 24.72s CPU 20.76s WALL ( 6094 calls) g_psi : 0.28s CPU 0.25s WALL ( 5446 calls) cdiaghg : 137.38s CPU 133.61s WALL ( 5719 calls) cegterg:over : 14.23s CPU 14.51s WALL ( 5446 calls) cegterg:upda : 8.82s CPU 8.86s WALL ( 5446 calls) cegterg:last : 5.09s CPU 5.07s WALL ( 921 calls) cdiaghg:chol : 6.03s CPU 5.85s WALL ( 5719 calls) cdiaghg:inve : 4.28s CPU 4.19s WALL ( 5719 calls) cdiaghg:para : 8.10s CPU 8.26s WALL ( 11438 calls) Called by h_psi: h_psi:vloc : 285.38s CPU 210.13s WALL ( 6094 calls) h_psi:vnl : 39.34s CPU 32.45s WALL ( 6094 calls) add_vuspsi : 22.81s CPU 18.48s WALL ( 6094 calls) General routines calbec : 16.49s CPU 13.95s WALL ( 6094 calls) fft : 0.08s CPU 0.05s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 277.21s CPU 203.44s WALL ( 1046588 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.32s CPU 1.03s WALL ( 546 calls) Parallel routines fft_scatter : 158.50s CPU 131.55s WALL ( 1046611 calls) PWSCF : 9m36.59s CPU 8m28.56s WALL This run was terminated on: 12:44:53 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=