Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 8: 3 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaZrO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 78 48 13 2218 1067 162 Max 79 49 14 2220 1088 166 Sum 2837 1753 497 79887 38789 5905 bravais-lattice index = 14 lattice parameter (alat) = 10.5005 a.u. unit-cell volume = 811.3067 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.500527 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.508822 celldm(5)= -0.508822 celldm(6)= 0.017644 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.017644 0.999844 0.000000 ) a(3) = ( -0.508822 -0.499922 0.700841 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.017647 0.713429 ) b(2) = ( 0.000000 1.000156 0.713429 ) b(3) = ( 0.000000 0.000000 1.426858 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5088222 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.4999222 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.5088222 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4999222 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 308 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 2) = ( 0.0000000 0.0000000 0.0174007), wk = 0.0032468 k( 3) = ( 0.0000000 0.0000000 0.0348014), wk = 0.0032468 k( 4) = ( 0.0000000 0.0000000 0.0522021), wk = 0.0032468 k( 5) = ( 0.0000000 0.0000000 0.0696028), wk = 0.0032468 k( 6) = ( 0.0000000 0.0000000 0.0870035), wk = 0.0032468 k( 7) = ( 0.0000000 0.0000000 0.1044042), wk = 0.0032468 k( 8) = ( 0.0000000 0.0000000 0.1218049), wk = 0.0032468 k( 9) = ( 0.0000000 0.0000000 0.1392056), wk = 0.0032468 k( 10) = ( 0.0000000 0.0000000 0.1566063), wk = 0.0032468 k( 11) = ( 0.0000000 0.0000000 0.1740070), wk = 0.0032468 k( 12) = ( 0.0000000 0.0000000 0.1914077), wk = 0.0032468 k( 13) = ( 0.0000000 0.0000000 0.2088084), wk = 0.0032468 k( 14) = ( 0.0000000 0.0000000 0.2262091), wk = 0.0032468 k( 15) = ( 0.0000000 0.0000000 0.2436098), wk = 0.0032468 k( 16) = ( 0.0000000 0.0000000 0.2610105), wk = 0.0032468 k( 17) = ( 0.0000000 0.0000000 0.2784112), wk = 0.0032468 k( 18) = ( 0.0000000 0.0000000 0.2958119), wk = 0.0032468 k( 19) = ( 0.0000000 0.0000000 0.3132127), wk = 0.0032468 k( 20) = ( 0.0000000 0.0000000 0.3306134), wk = 0.0032468 k( 21) = ( 0.0000000 0.0000000 0.3480141), wk = 0.0032468 k( 22) = ( 0.0000000 0.0000000 0.3654148), wk = 0.0032468 k( 23) = ( 0.0000000 0.0000000 0.3828155), wk = 0.0032468 k( 24) = ( 0.0000000 0.0000000 0.4002162), wk = 0.0032468 k( 25) = ( 0.0000000 0.0000000 0.4176169), wk = 0.0032468 k( 26) = ( 0.0000000 0.0000000 0.4350176), wk = 0.0032468 k( 27) = ( 0.0000000 0.0000000 0.4524183), wk = 0.0032468 k( 28) = ( 0.0000000 0.0000000 0.4698190), wk = 0.0032468 k( 29) = ( 0.0000000 0.0000000 0.4872197), wk = 0.0032468 k( 30) = ( 0.0000000 0.0000000 0.5046204), wk = 0.0032468 k( 31) = ( 0.0000000 0.0000000 0.5220211), wk = 0.0032468 k( 32) = ( 0.0000000 0.0000000 0.5394218), wk = 0.0032468 k( 33) = ( 0.0000000 0.0000000 0.5568225), wk = 0.0032468 k( 34) = ( 0.0000000 0.0000000 0.5742232), wk = 0.0032468 k( 35) = ( 0.0000000 0.0000000 0.5916239), wk = 0.0032468 k( 36) = ( 0.0000000 0.0000000 0.6090246), wk = 0.0032468 k( 37) = ( 0.0000000 0.0000000 0.6264253), wk = 0.0032468 k( 38) = ( 0.0000000 0.0000000 0.6438260), wk = 0.0032468 k( 39) = ( 0.0000000 0.0000000 0.6612267), wk = 0.0032468 k( 40) = ( 0.0000000 0.0000000 0.6786274), wk = 0.0032468 k( 41) = ( 0.0000000 0.0000000 0.6960281), wk = 0.0032468 k( 42) = ( 0.0000000 0.0000000 0.7134288), wk = 0.0032468 k( 43) = ( 0.0000000 0.0000000 0.7134288), wk = 0.0032468 k( 44) = ( -0.0120665 0.0122814 0.7134288), wk = 0.0032468 k( 45) = ( -0.0241331 0.0245627 0.7134288), wk = 0.0032468 k( 46) = ( -0.0361996 0.0368441 0.7134288), wk = 0.0032468 k( 47) = ( -0.0482662 0.0491254 0.7134288), wk = 0.0032468 k( 48) = ( -0.0603327 0.0614068 0.7134288), wk = 0.0032468 k( 49) = ( -0.0723992 0.0736881 0.7134288), wk = 0.0032468 k( 50) = ( -0.0844658 0.0859695 0.7134288), wk = 0.0032468 k( 51) = ( -0.0965323 0.0982509 0.7134288), wk = 0.0032468 k( 52) = ( -0.1085988 0.1105322 0.7134288), wk = 0.0032468 k( 53) = ( -0.1206654 0.1228136 0.7134288), wk = 0.0032468 k( 54) = ( -0.1327319 0.1350949 0.7134288), wk = 0.0032468 k( 55) = ( -0.1447984 0.1473763 0.7134288), wk = 0.0032468 k( 56) = ( -0.1568650 0.1596576 0.7134288), wk = 0.0032468 k( 57) = ( -0.1689315 0.1719390 0.7134288), wk = 0.0032468 k( 58) = ( -0.1809981 0.1842203 0.7134288), wk = 0.0032468 k( 59) = ( -0.1930646 0.1965017 0.7134288), wk = 0.0032468 k( 60) = ( -0.2051311 0.2087831 0.7134288), wk = 0.0032468 k( 61) = ( -0.2171977 0.2210644 0.7134288), wk = 0.0032468 k( 62) = ( -0.2292642 0.2333458 0.7134288), wk = 0.0032468 k( 63) = ( -0.2413308 0.2456271 0.7134288), wk = 0.0032468 k( 64) = ( -0.2413308 0.2456271 0.7134288), wk = 0.0032468 k( 65) = ( -0.2499531 0.2544029 0.7011260), wk = 0.0032468 k( 66) = ( -0.2585754 0.2631787 0.6888232), wk = 0.0032468 k( 67) = ( -0.2671977 0.2719546 0.6765204), wk = 0.0032468 k( 68) = ( -0.2758200 0.2807304 0.6642176), wk = 0.0032468 k( 69) = ( -0.2844423 0.2895062 0.6519148), wk = 0.0032468 k( 70) = ( -0.2930646 0.2982820 0.6396120), wk = 0.0032468 k( 71) = ( -0.3016869 0.3070578 0.6273092), wk = 0.0032468 k( 72) = ( -0.3103092 0.3158336 0.6150064), wk = 0.0032468 k( 73) = ( -0.3189315 0.3246094 0.6027036), wk = 0.0032468 k( 74) = ( -0.3275538 0.3333852 0.5904008), wk = 0.0032468 k( 75) = ( -0.3361761 0.3421610 0.5780979), wk = 0.0032468 k( 76) = ( -0.3447984 0.3509369 0.5657951), wk = 0.0032468 k( 77) = ( -0.3534208 0.3597127 0.5534923), wk = 0.0032468 k( 78) = ( -0.3620431 0.3684885 0.5411895), wk = 0.0032468 k( 79) = ( -0.3706654 0.3772643 0.5288867), wk = 0.0032468 k( 80) = ( -0.3706654 0.3772643 0.5288867), wk = 0.0032468 k( 81) = ( -0.3620452 0.3684907 0.5165870), wk = 0.0032468 k( 82) = ( -0.3534251 0.3597171 0.5042873), wk = 0.0032468 k( 83) = ( -0.3448050 0.3509435 0.4919876), wk = 0.0032468 k( 84) = ( -0.3361849 0.3421699 0.4796879), wk = 0.0032468 k( 85) = ( -0.3275648 0.3333963 0.4673883), wk = 0.0032468 k( 86) = ( -0.3189446 0.3246228 0.4550886), wk = 0.0032468 k( 87) = ( -0.3103245 0.3158492 0.4427889), wk = 0.0032468 k( 88) = ( -0.3017044 0.3070756 0.4304892), wk = 0.0032468 k( 89) = ( -0.2930842 0.2983020 0.4181895), wk = 0.0032468 k( 90) = ( -0.2844641 0.2895284 0.4058898), wk = 0.0032468 k( 91) = ( -0.2758440 0.2807548 0.3935901), wk = 0.0032468 k( 92) = ( -0.2672239 0.2719812 0.3812904), wk = 0.0032468 k( 93) = ( -0.2586038 0.2632076 0.3689907), wk = 0.0032468 k( 94) = ( -0.2499836 0.2544340 0.3566910), wk = 0.0032468 k( 95) = ( -0.2413635 0.2456605 0.3443914), wk = 0.0032468 k( 96) = ( -0.2327434 0.2368869 0.3320917), wk = 0.0032468 k( 97) = ( -0.2241232 0.2281133 0.3197920), wk = 0.0032468 k( 98) = ( -0.2155031 0.2193397 0.3074923), wk = 0.0032468 k( 99) = ( -0.2068830 0.2105661 0.2951926), wk = 0.0032468 k( 100) = ( -0.1982629 0.2017925 0.2828929), wk = 0.0032468 k( 101) = ( -0.1896427 0.1930189 0.2705932), wk = 0.0032468 k( 102) = ( -0.1810226 0.1842453 0.2582935), wk = 0.0032468 k( 103) = ( -0.1724025 0.1754718 0.2459938), wk = 0.0032468 k( 104) = ( -0.1637824 0.1666982 0.2336941), wk = 0.0032468 k( 105) = ( -0.1551623 0.1579246 0.2213944), wk = 0.0032468 k( 106) = ( -0.1465421 0.1491510 0.2090947), wk = 0.0032468 k( 107) = ( -0.1379220 0.1403774 0.1967951), wk = 0.0032468 k( 108) = ( -0.1293019 0.1316038 0.1844954), wk = 0.0032468 k( 109) = ( -0.1206818 0.1228302 0.1721957), wk = 0.0032468 k( 110) = ( -0.1120616 0.1140566 0.1598960), wk = 0.0032468 k( 111) = ( -0.1034415 0.1052831 0.1475963), wk = 0.0032468 k( 112) = ( -0.0948214 0.0965095 0.1352966), wk = 0.0032468 k( 113) = ( -0.0862012 0.0877359 0.1229969), wk = 0.0032468 k( 114) = ( -0.0775811 0.0789623 0.1106972), wk = 0.0032468 k( 115) = ( -0.0689610 0.0701887 0.0983975), wk = 0.0032468 k( 116) = ( -0.0603409 0.0614151 0.0860978), wk = 0.0032468 k( 117) = ( -0.0517208 0.0526415 0.0737981), wk = 0.0032468 k( 118) = ( -0.0431006 0.0438679 0.0614984), wk = 0.0032468 k( 119) = ( -0.0344805 0.0350944 0.0491988), wk = 0.0032468 k( 120) = ( -0.0258604 0.0263208 0.0368991), wk = 0.0032468 k( 121) = ( -0.0172402 0.0175472 0.0245994), wk = 0.0032468 k( 122) = ( -0.0086201 0.0087736 0.0122997), wk = 0.0032468 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 125) = ( 0.0125000 0.0122814 0.0000000), wk = 0.0032468 k( 126) = ( 0.0250000 0.0245627 0.0000000), wk = 0.0032468 k( 127) = ( 0.0375000 0.0368441 -0.0000000), wk = 0.0032468 k( 128) = ( 0.0500000 0.0491254 0.0000000), wk = 0.0032468 k( 129) = ( 0.0625000 0.0614068 0.0000000), wk = 0.0032468 k( 130) = ( 0.0750000 0.0736881 -0.0000000), wk = 0.0032468 k( 131) = ( 0.0875000 0.0859695 0.0000000), wk = 0.0032468 k( 132) = ( 0.1000000 0.0982509 0.0000000), wk = 0.0032468 k( 133) = ( 0.1125000 0.1105322 0.0000000), wk = 0.0032468 k( 134) = ( 0.1250000 0.1228136 0.0000000), wk = 0.0032468 k( 135) = ( 0.1375000 0.1350949 0.0000000), wk = 0.0032468 k( 136) = ( 0.1500000 0.1473763 -0.0000000), wk = 0.0032468 k( 137) = ( 0.1625000 0.1596576 -0.0000000), wk = 0.0032468 k( 138) = ( 0.1750000 0.1719390 0.0000000), wk = 0.0032468 k( 139) = ( 0.1875000 0.1842203 0.0000000), wk = 0.0032468 k( 140) = ( 0.2000000 0.1965017 0.0000000), wk = 0.0032468 k( 141) = ( 0.2125000 0.2087831 0.0000000), wk = 0.0032468 k( 142) = ( 0.2250000 0.2210644 0.0000000), wk = 0.0032468 k( 143) = ( 0.2375000 0.2333458 -0.0000000), wk = 0.0032468 k( 144) = ( 0.2500000 0.2456271 0.0000000), wk = 0.0032468 k( 145) = ( 0.2625000 0.2579085 0.0000000), wk = 0.0032468 k( 146) = ( 0.2750000 0.2701898 0.0000000), wk = 0.0032468 k( 147) = ( 0.2875000 0.2824712 -0.0000000), wk = 0.0032468 k( 148) = ( 0.3000000 0.2947526 -0.0000000), wk = 0.0032468 k( 149) = ( 0.3125000 0.3070339 -0.0000000), wk = 0.0032468 k( 150) = ( 0.3250000 0.3193153 -0.0000000), wk = 0.0032468 k( 151) = ( 0.3375000 0.3315966 -0.0000000), wk = 0.0032468 k( 152) = ( 0.3500000 0.3438780 0.0000000), wk = 0.0032468 k( 153) = ( 0.3625000 0.3561593 -0.0000000), wk = 0.0032468 k( 154) = ( 0.3750000 0.3684407 0.0000000), wk = 0.0032468 k( 155) = ( 0.3875000 0.3807221 -0.0000000), wk = 0.0032468 k( 156) = ( 0.4000000 0.3930034 0.0000000), wk = 0.0032468 k( 157) = ( 0.4125000 0.4052848 -0.0000000), wk = 0.0032468 k( 158) = ( 0.4250000 0.4175661 0.0000000), wk = 0.0032468 k( 159) = ( 0.4375000 0.4298475 -0.0000000), wk = 0.0032468 k( 160) = ( 0.4500000 0.4421288 0.0000000), wk = 0.0032468 k( 161) = ( 0.4625000 0.4544102 -0.0000000), wk = 0.0032468 k( 162) = ( 0.4750000 0.4666915 -0.0000000), wk = 0.0032468 k( 163) = ( 0.4875000 0.4789729 0.0000000), wk = 0.0032468 k( 164) = ( 0.5000000 0.4912543 0.0000000), wk = 0.0032468 k( 165) = ( 0.5000000 0.4912543 0.0000000), wk = 0.0032468 k( 166) = ( 0.4913777 0.5000301 0.0123028), wk = 0.0032468 k( 167) = ( 0.4827554 0.5088059 0.0246056), wk = 0.0032468 k( 168) = ( 0.4741331 0.5175817 0.0369084), wk = 0.0032468 k( 169) = ( 0.4655108 0.5263575 0.0492112), wk = 0.0032468 k( 170) = ( 0.4568885 0.5351333 0.0615140), wk = 0.0032468 k( 171) = ( 0.4482661 0.5439091 0.0738168), wk = 0.0032468 k( 172) = ( 0.4396438 0.5526849 0.0861196), wk = 0.0032468 k( 173) = ( 0.4310215 0.5614607 0.0984225), wk = 0.0032468 k( 174) = ( 0.4223992 0.5702366 0.1107253), wk = 0.0032468 k( 175) = ( 0.4137769 0.5790124 0.1230281), wk = 0.0032468 k( 176) = ( 0.4051546 0.5877882 0.1353309), wk = 0.0032468 k( 177) = ( 0.3965323 0.5965640 0.1476337), wk = 0.0032468 k( 178) = ( 0.3879100 0.6053398 0.1599365), wk = 0.0032468 k( 179) = ( 0.3792877 0.6141156 0.1722393), wk = 0.0032468 k( 180) = ( 0.3706654 0.6228914 0.1845421), wk = 0.0032468 k( 181) = ( 0.3706654 0.6228914 0.1845421), wk = 0.0032468 k( 182) = ( 0.3558388 0.6179789 0.1914290), wk = 0.0032468 k( 183) = ( 0.3410121 0.6130663 0.1983159), wk = 0.0032468 k( 184) = ( 0.3261855 0.6081538 0.2052028), wk = 0.0032468 k( 185) = ( 0.3113589 0.6032412 0.2120897), wk = 0.0032468 k( 186) = ( 0.2965323 0.5983287 0.2189766), wk = 0.0032468 k( 187) = ( 0.2817057 0.5934162 0.2258635), wk = 0.0032468 k( 188) = ( 0.2668791 0.5885036 0.2327503), wk = 0.0032468 k( 189) = ( 0.2520524 0.5835911 0.2396372), wk = 0.0032468 k( 190) = ( 0.2372258 0.5786785 0.2465241), wk = 0.0032468 k( 191) = ( 0.2223992 0.5737660 0.2534110), wk = 0.0032468 k( 192) = ( 0.2075726 0.5688534 0.2602979), wk = 0.0032468 k( 193) = ( 0.1927460 0.5639409 0.2671848), wk = 0.0032468 k( 194) = ( 0.1779194 0.5590284 0.2740717), wk = 0.0032468 k( 195) = ( 0.1630928 0.5541158 0.2809586), wk = 0.0032468 k( 196) = ( 0.1482662 0.5492033 0.2878455), wk = 0.0032468 k( 197) = ( 0.1334395 0.5442907 0.2947324), wk = 0.0032468 k( 198) = ( 0.1186129 0.5393782 0.3016193), wk = 0.0032468 k( 199) = ( 0.1037863 0.5344657 0.3085062), wk = 0.0032468 k( 200) = ( 0.0889597 0.5295531 0.3153931), wk = 0.0032468 k( 201) = ( 0.0741331 0.5246406 0.3222800), wk = 0.0032468 k( 202) = ( 0.0593065 0.5197280 0.3291668), wk = 0.0032468 k( 203) = ( 0.0444798 0.5148155 0.3360537), wk = 0.0032468 k( 204) = ( 0.0296532 0.5099029 0.3429406), wk = 0.0032468 k( 205) = ( 0.0148266 0.5049904 0.3498275), wk = 0.0032468 k( 206) = ( 0.0000000 0.5000778 0.3567144), wk = 0.0032468 k( 207) = ( 0.0000000 0.5000778 0.3567144), wk = 0.0032468 k( 208) = ( 0.0086207 0.4913037 0.3690149), wk = 0.0032468 k( 209) = ( 0.0172414 0.4825295 0.3813154), wk = 0.0032468 k( 210) = ( 0.0258621 0.4737554 0.3936159), wk = 0.0032468 k( 211) = ( 0.0344828 0.4649812 0.4059164), wk = 0.0032468 k( 212) = ( 0.0431035 0.4562070 0.4182169), wk = 0.0032468 k( 213) = ( 0.0517241 0.4474329 0.4305174), wk = 0.0032468 k( 214) = ( 0.0603448 0.4386587 0.4428179), wk = 0.0032468 k( 215) = ( 0.0689655 0.4298845 0.4551184), wk = 0.0032468 k( 216) = ( 0.0775862 0.4211104 0.4674189), wk = 0.0032468 k( 217) = ( 0.0862069 0.4123362 0.4797194), wk = 0.0032468 k( 218) = ( 0.0948276 0.4035621 0.4920199), wk = 0.0032468 k( 219) = ( 0.1034483 0.3947879 0.5043204), wk = 0.0032468 k( 220) = ( 0.1120690 0.3860137 0.5166209), wk = 0.0032468 k( 221) = ( 0.1206897 0.3772396 0.5289214), wk = 0.0032468 k( 222) = ( 0.1293103 0.3684654 0.5412219), wk = 0.0032468 k( 223) = ( 0.1379310 0.3596912 0.5535224), wk = 0.0032468 k( 224) = ( 0.1465517 0.3509171 0.5658228), wk = 0.0032468 k( 225) = ( 0.1551724 0.3421429 0.5781233), wk = 0.0032468 k( 226) = ( 0.1637931 0.3333688 0.5904238), wk = 0.0032468 k( 227) = ( 0.1724138 0.3245946 0.6027243), wk = 0.0032468 k( 228) = ( 0.1810345 0.3158204 0.6150248), wk = 0.0032468 k( 229) = ( 0.1896552 0.3070463 0.6273253), wk = 0.0032468 k( 230) = ( 0.1982759 0.2982721 0.6396258), wk = 0.0032468 k( 231) = ( 0.2068966 0.2894979 0.6519263), wk = 0.0032468 k( 232) = ( 0.2155172 0.2807238 0.6642268), wk = 0.0032468 k( 233) = ( 0.2241379 0.2719496 0.6765273), wk = 0.0032468 k( 234) = ( 0.2327586 0.2631755 0.6888278), wk = 0.0032468 k( 235) = ( 0.2413793 0.2544013 0.7011283), wk = 0.0032468 k( 236) = ( 0.2500000 0.2456271 0.7134288), wk = 0.0032468 k( 237) = ( 0.2500000 0.2456271 0.7134288), wk = 0.0032468 k( 238) = ( 0.2589286 0.2543995 0.7011308), wk = 0.0032468 k( 239) = ( 0.2678571 0.2631719 0.6888328), wk = 0.0032468 k( 240) = ( 0.2767857 0.2719443 0.6765347), wk = 0.0032468 k( 241) = ( 0.2857143 0.2807167 0.6642367), wk = 0.0032468 k( 242) = ( 0.2946429 0.2894891 0.6519387), wk = 0.0032468 k( 243) = ( 0.3035714 0.2982615 0.6396407), wk = 0.0032468 k( 244) = ( 0.3125000 0.3070339 0.6273427), wk = 0.0032468 k( 245) = ( 0.3214286 0.3158063 0.6150446), wk = 0.0032468 k( 246) = ( 0.3303571 0.3245787 0.6027466), wk = 0.0032468 k( 247) = ( 0.3392857 0.3333511 0.5904486), wk = 0.0032468 k( 248) = ( 0.3482143 0.3421235 0.5781506), wk = 0.0032468 k( 249) = ( 0.3571429 0.3508959 0.5658526), wk = 0.0032468 k( 250) = ( 0.3660714 0.3596683 0.5535545), wk = 0.0032468 k( 251) = ( 0.3750000 0.3684407 0.5412565), wk = 0.0032468 k( 252) = ( 0.3839286 0.3772131 0.5289585), wk = 0.0032468 k( 253) = ( 0.3928571 0.3859855 0.5166605), wk = 0.0032468 k( 254) = ( 0.4017857 0.3947579 0.5043624), wk = 0.0032468 k( 255) = ( 0.4107143 0.4035303 0.4920644), wk = 0.0032468 k( 256) = ( 0.4196429 0.4123027 0.4797664), wk = 0.0032468 k( 257) = ( 0.4285714 0.4210751 0.4674684), wk = 0.0032468 k( 258) = ( 0.4375000 0.4298475 0.4551704), wk = 0.0032468 k( 259) = ( 0.4464286 0.4386199 0.4428723), wk = 0.0032468 k( 260) = ( 0.4553571 0.4473923 0.4305743), wk = 0.0032468 k( 261) = ( 0.4642857 0.4561647 0.4182763), wk = 0.0032468 k( 262) = ( 0.4732143 0.4649371 0.4059783), wk = 0.0032468 k( 263) = ( 0.4821429 0.4737095 0.3936803), wk = 0.0032468 k( 264) = ( 0.4910714 0.4824819 0.3813822), wk = 0.0032468 k( 265) = ( 0.5000000 0.4912543 0.3690842), wk = 0.0032468 k( 266) = ( 0.5000000 0.4912543 0.3690842), wk = 0.0032468 k( 267) = ( 0.5000000 0.4912543 0.3515088), wk = 0.0032468 k( 268) = ( 0.5000000 0.4912543 0.3339333), wk = 0.0032468 k( 269) = ( 0.5000000 0.4912543 0.3163579), wk = 0.0032468 k( 270) = ( 0.5000000 0.4912543 0.2987824), wk = 0.0032468 k( 271) = ( 0.5000000 0.4912543 0.2812070), wk = 0.0032468 k( 272) = ( 0.5000000 0.4912543 0.2636316), wk = 0.0032468 k( 273) = ( 0.5000000 0.4912543 0.2460561), wk = 0.0032468 k( 274) = ( 0.5000000 0.4912543 0.2284807), wk = 0.0032468 k( 275) = ( 0.5000000 0.4912543 0.2109053), wk = 0.0032468 k( 276) = ( 0.5000000 0.4912543 0.1933298), wk = 0.0032468 k( 277) = ( 0.5000000 0.4912543 0.1757544), wk = 0.0032468 k( 278) = ( 0.5000000 0.4912543 0.1581789), wk = 0.0032468 k( 279) = ( 0.5000000 0.4912543 0.1406035), wk = 0.0032468 k( 280) = ( 0.5000000 0.4912543 0.1230281), wk = 0.0032468 k( 281) = ( 0.5000000 0.4912543 0.1054526), wk = 0.0032468 k( 282) = ( 0.5000000 0.4912543 0.0878772), wk = 0.0032468 k( 283) = ( 0.5000000 0.4912543 0.0703017), wk = 0.0032468 k( 284) = ( 0.5000000 0.4912543 0.0527263), wk = 0.0032468 k( 285) = ( 0.5000000 0.4912543 0.0351509), wk = 0.0032468 k( 286) = ( 0.5000000 0.4912543 0.0175754), wk = 0.0032468 k( 287) = ( 0.5000000 0.4912543 0.0000000), wk = 0.0032468 k( 288) = ( 0.0000000 0.0000000 0.7134288), wk = 0.0032468 k( 289) = ( 0.0125000 0.0122814 0.7134288), wk = 0.0032468 k( 290) = ( 0.0250000 0.0245627 0.7134288), wk = 0.0032468 k( 291) = ( 0.0375000 0.0368441 0.7134288), wk = 0.0032468 k( 292) = ( 0.0500000 0.0491254 0.7134288), wk = 0.0032468 k( 293) = ( 0.0625000 0.0614068 0.7134288), wk = 0.0032468 k( 294) = ( 0.0750000 0.0736881 0.7134288), wk = 0.0032468 k( 295) = ( 0.0875000 0.0859695 0.7134288), wk = 0.0032468 k( 296) = ( 0.1000000 0.0982509 0.7134288), wk = 0.0032468 k( 297) = ( 0.1125000 0.1105322 0.7134288), wk = 0.0032468 k( 298) = ( 0.1250000 0.1228136 0.7134288), wk = 0.0032468 k( 299) = ( 0.1375000 0.1350949 0.7134288), wk = 0.0032468 k( 300) = ( 0.1500000 0.1473763 0.7134288), wk = 0.0032468 k( 301) = ( 0.1625000 0.1596576 0.7134288), wk = 0.0032468 k( 302) = ( 0.1750000 0.1719390 0.7134288), wk = 0.0032468 k( 303) = ( 0.1875000 0.1842203 0.7134288), wk = 0.0032468 k( 304) = ( 0.2000000 0.1965017 0.7134288), wk = 0.0032468 k( 305) = ( 0.2125000 0.2087831 0.7134288), wk = 0.0032468 k( 306) = ( 0.2250000 0.2210644 0.7134288), wk = 0.0032468 k( 307) = ( 0.2375000 0.2333458 0.7134288), wk = 0.0032468 k( 308) = ( 0.2500000 0.2456271 0.7134288), wk = 0.0032468 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0032468 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0032468 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0032468 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0032468 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0032468 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0032468 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0032468 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0032468 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0032468 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0032468 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0032468 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0032468 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0032468 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0032468 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0032468 k( 17) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0032468 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0032468 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0032468 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0032468 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0032468 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0032468 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0032468 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0032468 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0032468 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0032468 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0032468 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0032468 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0032468 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0032468 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0032468 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0032468 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0032468 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0032468 k( 35) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0032468 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0032468 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0032468 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0032468 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0032468 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0032468 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0032468 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 44) = ( -0.0120665 0.0120665 0.5000000), wk = 0.0032468 k( 45) = ( -0.0241331 0.0241331 0.5000000), wk = 0.0032468 k( 46) = ( -0.0361996 0.0361996 0.5000000), wk = 0.0032468 k( 47) = ( -0.0482662 0.0482661 0.5000000), wk = 0.0032468 k( 48) = ( -0.0603327 0.0603327 0.5000000), wk = 0.0032468 k( 49) = ( -0.0723992 0.0723992 0.5000000), wk = 0.0032468 k( 50) = ( -0.0844658 0.0844658 0.5000000), wk = 0.0032468 k( 51) = ( -0.0965323 0.0965323 0.5000000), wk = 0.0032468 k( 52) = ( -0.1085988 0.1085988 0.5000000), wk = 0.0032468 k( 53) = ( -0.1206654 0.1206654 0.5000000), wk = 0.0032468 k( 54) = ( -0.1327319 0.1327319 0.5000000), wk = 0.0032468 k( 55) = ( -0.1447984 0.1447984 0.5000000), wk = 0.0032468 k( 56) = ( -0.1568650 0.1568650 0.5000000), wk = 0.0032468 k( 57) = ( -0.1689315 0.1689315 0.5000000), wk = 0.0032468 k( 58) = ( -0.1809981 0.1809981 0.5000000), wk = 0.0032468 k( 59) = ( -0.1930646 0.1930646 0.5000000), wk = 0.0032468 k( 60) = ( -0.2051311 0.2051311 0.5000000), wk = 0.0032468 k( 61) = ( -0.2171977 0.2171977 0.5000000), wk = 0.0032468 k( 62) = ( -0.2292642 0.2292642 0.5000000), wk = 0.0032468 k( 63) = ( -0.2413308 0.2413307 0.5000000), wk = 0.0032468 k( 64) = ( -0.2413308 0.2413307 0.5000000), wk = 0.0032468 k( 65) = ( -0.2499531 0.2499531 0.4913777), wk = 0.0032468 k( 66) = ( -0.2585754 0.2585754 0.4827554), wk = 0.0032468 k( 67) = ( -0.2671977 0.2671977 0.4741331), wk = 0.0032468 k( 68) = ( -0.2758200 0.2758200 0.4655108), wk = 0.0032468 k( 69) = ( -0.2844423 0.2844423 0.4568885), wk = 0.0032468 k( 70) = ( -0.2930646 0.2930646 0.4482661), wk = 0.0032468 k( 71) = ( -0.3016869 0.3016869 0.4396438), wk = 0.0032468 k( 72) = ( -0.3103092 0.3103092 0.4310215), wk = 0.0032468 k( 73) = ( -0.3189315 0.3189315 0.4223992), wk = 0.0032468 k( 74) = ( -0.3275538 0.3275538 0.4137769), wk = 0.0032468 k( 75) = ( -0.3361761 0.3361761 0.4051546), wk = 0.0032468 k( 76) = ( -0.3447984 0.3447984 0.3965323), wk = 0.0032468 k( 77) = ( -0.3534208 0.3534208 0.3879100), wk = 0.0032468 k( 78) = ( -0.3620431 0.3620431 0.3792877), wk = 0.0032468 k( 79) = ( -0.3706654 0.3706654 0.3706654), wk = 0.0032468 k( 80) = ( -0.3706654 0.3706654 0.3706654), wk = 0.0032468 k( 81) = ( -0.3620452 0.3620452 0.3620452), wk = 0.0032468 k( 82) = ( -0.3534251 0.3534251 0.3534251), wk = 0.0032468 k( 83) = ( -0.3448050 0.3448050 0.3448050), wk = 0.0032468 k( 84) = ( -0.3361849 0.3361849 0.3361849), wk = 0.0032468 k( 85) = ( -0.3275648 0.3275647 0.3275648), wk = 0.0032468 k( 86) = ( -0.3189446 0.3189446 0.3189446), wk = 0.0032468 k( 87) = ( -0.3103245 0.3103245 0.3103245), wk = 0.0032468 k( 88) = ( -0.3017044 0.3017044 0.3017044), wk = 0.0032468 k( 89) = ( -0.2930842 0.2930842 0.2930842), wk = 0.0032468 k( 90) = ( -0.2844641 0.2844641 0.2844641), wk = 0.0032468 k( 91) = ( -0.2758440 0.2758440 0.2758440), wk = 0.0032468 k( 92) = ( -0.2672239 0.2672239 0.2672239), wk = 0.0032468 k( 93) = ( -0.2586038 0.2586037 0.2586038), wk = 0.0032468 k( 94) = ( -0.2499836 0.2499836 0.2499836), wk = 0.0032468 k( 95) = ( -0.2413635 0.2413635 0.2413635), wk = 0.0032468 k( 96) = ( -0.2327434 0.2327434 0.2327434), wk = 0.0032468 k( 97) = ( -0.2241232 0.2241232 0.2241232), wk = 0.0032468 k( 98) = ( -0.2155031 0.2155031 0.2155031), wk = 0.0032468 k( 99) = ( -0.2068830 0.2068830 0.2068830), wk = 0.0032468 k( 100) = ( -0.1982629 0.1982629 0.1982629), wk = 0.0032468 k( 101) = ( -0.1896427 0.1896427 0.1896428), wk = 0.0032468 k( 102) = ( -0.1810226 0.1810226 0.1810226), wk = 0.0032468 k( 103) = ( -0.1724025 0.1724025 0.1724025), wk = 0.0032468 k( 104) = ( -0.1637824 0.1637824 0.1637824), wk = 0.0032468 k( 105) = ( -0.1551623 0.1551622 0.1551623), wk = 0.0032468 k( 106) = ( -0.1465421 0.1465421 0.1465421), wk = 0.0032468 k( 107) = ( -0.1379220 0.1379220 0.1379220), wk = 0.0032468 k( 108) = ( -0.1293019 0.1293019 0.1293019), wk = 0.0032468 k( 109) = ( -0.1206818 0.1206817 0.1206818), wk = 0.0032468 k( 110) = ( -0.1120616 0.1120616 0.1120616), wk = 0.0032468 k( 111) = ( -0.1034415 0.1034415 0.1034415), wk = 0.0032468 k( 112) = ( -0.0948214 0.0948214 0.0948214), wk = 0.0032468 k( 113) = ( -0.0862012 0.0862012 0.0862012), wk = 0.0032468 k( 114) = ( -0.0775811 0.0775811 0.0775811), wk = 0.0032468 k( 115) = ( -0.0689610 0.0689610 0.0689610), wk = 0.0032468 k( 116) = ( -0.0603409 0.0603409 0.0603409), wk = 0.0032468 k( 117) = ( -0.0517208 0.0517208 0.0517208), wk = 0.0032468 k( 118) = ( -0.0431006 0.0431006 0.0431006), wk = 0.0032468 k( 119) = ( -0.0344805 0.0344805 0.0344805), wk = 0.0032468 k( 120) = ( -0.0258604 0.0258604 0.0258604), wk = 0.0032468 k( 121) = ( -0.0172402 0.0172402 0.0172402), wk = 0.0032468 k( 122) = ( -0.0086201 0.0086201 0.0086201), wk = 0.0032468 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 125) = ( 0.0125000 0.0125000 -0.0125000), wk = 0.0032468 k( 126) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0032468 k( 127) = ( 0.0375000 0.0375000 -0.0375000), wk = 0.0032468 k( 128) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0032468 k( 129) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0032468 k( 130) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0032468 k( 131) = ( 0.0875000 0.0875000 -0.0875000), wk = 0.0032468 k( 132) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0032468 k( 133) = ( 0.1125000 0.1125000 -0.1125000), wk = 0.0032468 k( 134) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0032468 k( 135) = ( 0.1375000 0.1375000 -0.1375000), wk = 0.0032468 k( 136) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0032468 k( 137) = ( 0.1625000 0.1625000 -0.1625000), wk = 0.0032468 k( 138) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0032468 k( 139) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0032468 k( 140) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0032468 k( 141) = ( 0.2125000 0.2125000 -0.2125000), wk = 0.0032468 k( 142) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0032468 k( 143) = ( 0.2375000 0.2375000 -0.2375000), wk = 0.0032468 k( 144) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0032468 k( 145) = ( 0.2625000 0.2625000 -0.2625000), wk = 0.0032468 k( 146) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0032468 k( 147) = ( 0.2875000 0.2875000 -0.2875000), wk = 0.0032468 k( 148) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0032468 k( 149) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0032468 k( 150) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0032468 k( 151) = ( 0.3375000 0.3375000 -0.3375000), wk = 0.0032468 k( 152) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0032468 k( 153) = ( 0.3625000 0.3625000 -0.3625000), wk = 0.0032468 k( 154) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0032468 k( 155) = ( 0.3875000 0.3875000 -0.3875000), wk = 0.0032468 k( 156) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0032468 k( 157) = ( 0.4125000 0.4125000 -0.4125000), wk = 0.0032468 k( 158) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0032468 k( 159) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0032468 k( 160) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0032468 k( 161) = ( 0.4625000 0.4625000 -0.4625000), wk = 0.0032468 k( 162) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0032468 k( 163) = ( 0.4875000 0.4875000 -0.4875000), wk = 0.0032468 k( 164) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032468 k( 165) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032468 k( 166) = ( 0.4913777 0.5086223 -0.4913777), wk = 0.0032468 k( 167) = ( 0.4827554 0.5172446 -0.4827554), wk = 0.0032468 k( 168) = ( 0.4741331 0.5258669 -0.4741331), wk = 0.0032468 k( 169) = ( 0.4655108 0.5344892 -0.4655108), wk = 0.0032468 k( 170) = ( 0.4568885 0.5431115 -0.4568885), wk = 0.0032468 k( 171) = ( 0.4482661 0.5517338 -0.4482661), wk = 0.0032468 k( 172) = ( 0.4396438 0.5603562 -0.4396438), wk = 0.0032468 k( 173) = ( 0.4310215 0.5689785 -0.4310215), wk = 0.0032468 k( 174) = ( 0.4223992 0.5776008 -0.4223992), wk = 0.0032468 k( 175) = ( 0.4137769 0.5862231 -0.4137769), wk = 0.0032468 k( 176) = ( 0.4051546 0.5948454 -0.4051546), wk = 0.0032468 k( 177) = ( 0.3965323 0.6034677 -0.3965323), wk = 0.0032468 k( 178) = ( 0.3879100 0.6120900 -0.3879100), wk = 0.0032468 k( 179) = ( 0.3792877 0.6207123 -0.3792877), wk = 0.0032468 k( 180) = ( 0.3706654 0.6293346 -0.3706654), wk = 0.0032468 k( 181) = ( 0.3706654 0.6293346 -0.3706654), wk = 0.0032468 k( 182) = ( 0.3558388 0.6241612 -0.3558388), wk = 0.0032468 k( 183) = ( 0.3410121 0.6189879 -0.3410121), wk = 0.0032468 k( 184) = ( 0.3261855 0.6138145 -0.3261855), wk = 0.0032468 k( 185) = ( 0.3113589 0.6086411 -0.3113589), wk = 0.0032468 k( 186) = ( 0.2965323 0.6034677 -0.2965323), wk = 0.0032468 k( 187) = ( 0.2817057 0.5982943 -0.2817057), wk = 0.0032468 k( 188) = ( 0.2668791 0.5931209 -0.2668791), wk = 0.0032468 k( 189) = ( 0.2520524 0.5879475 -0.2520524), wk = 0.0032468 k( 190) = ( 0.2372258 0.5827742 -0.2372258), wk = 0.0032468 k( 191) = ( 0.2223992 0.5776008 -0.2223992), wk = 0.0032468 k( 192) = ( 0.2075726 0.5724274 -0.2075726), wk = 0.0032468 k( 193) = ( 0.1927460 0.5672540 -0.1927460), wk = 0.0032468 k( 194) = ( 0.1779194 0.5620806 -0.1779194), wk = 0.0032468 k( 195) = ( 0.1630928 0.5569072 -0.1630928), wk = 0.0032468 k( 196) = ( 0.1482662 0.5517338 -0.1482662), wk = 0.0032468 k( 197) = ( 0.1334395 0.5465605 -0.1334395), wk = 0.0032468 k( 198) = ( 0.1186129 0.5413871 -0.1186129), wk = 0.0032468 k( 199) = ( 0.1037863 0.5362137 -0.1037863), wk = 0.0032468 k( 200) = ( 0.0889597 0.5310403 -0.0889597), wk = 0.0032468 k( 201) = ( 0.0741331 0.5258669 -0.0741331), wk = 0.0032468 k( 202) = ( 0.0593065 0.5206935 -0.0593065), wk = 0.0032468 k( 203) = ( 0.0444798 0.5155202 -0.0444798), wk = 0.0032468 k( 204) = ( 0.0296532 0.5103468 -0.0296532), wk = 0.0032468 k( 205) = ( 0.0148266 0.5051734 -0.0148266), wk = 0.0032468 k( 206) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032468 k( 207) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032468 k( 208) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0032468 k( 209) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0032468 k( 210) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0032468 k( 211) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0032468 k( 212) = ( 0.0431035 0.4568965 0.0431035), wk = 0.0032468 k( 213) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0032468 k( 214) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0032468 k( 215) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0032468 k( 216) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0032468 k( 217) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0032468 k( 218) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0032468 k( 219) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0032468 k( 220) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0032468 k( 221) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0032468 k( 222) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0032468 k( 223) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0032468 k( 224) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0032468 k( 225) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0032468 k( 226) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0032468 k( 227) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0032468 k( 228) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0032468 k( 229) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0032468 k( 230) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0032468 k( 231) = ( 0.2068966 0.2931034 0.2068965), wk = 0.0032468 k( 232) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0032468 k( 233) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0032468 k( 234) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0032468 k( 235) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0032468 k( 236) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032468 k( 237) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032468 k( 238) = ( 0.2589286 0.2589286 0.2324525), wk = 0.0032468 k( 239) = ( 0.2678571 0.2678571 0.2149049), wk = 0.0032468 k( 240) = ( 0.2767857 0.2767857 0.1973574), wk = 0.0032468 k( 241) = ( 0.2857143 0.2857143 0.1798099), wk = 0.0032468 k( 242) = ( 0.2946429 0.2946429 0.1622624), wk = 0.0032468 k( 243) = ( 0.3035714 0.3035714 0.1447148), wk = 0.0032468 k( 244) = ( 0.3125000 0.3125000 0.1271673), wk = 0.0032468 k( 245) = ( 0.3214286 0.3214286 0.1096198), wk = 0.0032468 k( 246) = ( 0.3303571 0.3303571 0.0920723), wk = 0.0032468 k( 247) = ( 0.3392857 0.3392857 0.0745247), wk = 0.0032468 k( 248) = ( 0.3482143 0.3482143 0.0569772), wk = 0.0032468 k( 249) = ( 0.3571429 0.3571429 0.0394297), wk = 0.0032468 k( 250) = ( 0.3660714 0.3660714 0.0218821), wk = 0.0032468 k( 251) = ( 0.3750000 0.3750000 0.0043346), wk = 0.0032468 k( 252) = ( 0.3839286 0.3839286 -0.0132129), wk = 0.0032468 k( 253) = ( 0.3928571 0.3928571 -0.0307604), wk = 0.0032468 k( 254) = ( 0.4017857 0.4017857 -0.0483079), wk = 0.0032468 k( 255) = ( 0.4107143 0.4107143 -0.0658555), wk = 0.0032468 k( 256) = ( 0.4196429 0.4196429 -0.0834030), wk = 0.0032468 k( 257) = ( 0.4285714 0.4285714 -0.1009505), wk = 0.0032468 k( 258) = ( 0.4375000 0.4375000 -0.1184981), wk = 0.0032468 k( 259) = ( 0.4464286 0.4464286 -0.1360456), wk = 0.0032468 k( 260) = ( 0.4553571 0.4553571 -0.1535931), wk = 0.0032468 k( 261) = ( 0.4642857 0.4642857 -0.1711406), wk = 0.0032468 k( 262) = ( 0.4732143 0.4732143 -0.1886882), wk = 0.0032468 k( 263) = ( 0.4821429 0.4821429 -0.2062357), wk = 0.0032468 k( 264) = ( 0.4910714 0.4910714 -0.2237832), wk = 0.0032468 k( 265) = ( 0.5000000 0.5000000 -0.2413308), wk = 0.0032468 k( 266) = ( 0.5000000 0.5000000 -0.2413308), wk = 0.0032468 k( 267) = ( 0.5000000 0.5000000 -0.2536483), wk = 0.0032468 k( 268) = ( 0.5000000 0.5000000 -0.2659659), wk = 0.0032468 k( 269) = ( 0.5000000 0.5000000 -0.2782835), wk = 0.0032468 k( 270) = ( 0.5000000 0.5000000 -0.2906011), wk = 0.0032468 k( 271) = ( 0.5000000 0.5000000 -0.3029187), wk = 0.0032468 k( 272) = ( 0.5000000 0.5000000 -0.3152362), wk = 0.0032468 k( 273) = ( 0.5000000 0.5000000 -0.3275538), wk = 0.0032468 k( 274) = ( 0.5000000 0.5000000 -0.3398714), wk = 0.0032468 k( 275) = ( 0.5000000 0.5000000 -0.3521890), wk = 0.0032468 k( 276) = ( 0.5000000 0.5000000 -0.3645066), wk = 0.0032468 k( 277) = ( 0.5000000 0.5000000 -0.3768242), wk = 0.0032468 k( 278) = ( 0.5000000 0.5000000 -0.3891418), wk = 0.0032468 k( 279) = ( 0.5000000 0.5000000 -0.4014593), wk = 0.0032468 k( 280) = ( 0.5000000 0.5000000 -0.4137769), wk = 0.0032468 k( 281) = ( 0.5000000 0.5000000 -0.4260945), wk = 0.0032468 k( 282) = ( 0.5000000 0.5000000 -0.4384121), wk = 0.0032468 k( 283) = ( 0.5000000 0.5000000 -0.4507297), wk = 0.0032468 k( 284) = ( 0.5000000 0.5000000 -0.4630473), wk = 0.0032468 k( 285) = ( 0.5000000 0.5000000 -0.4753648), wk = 0.0032468 k( 286) = ( 0.5000000 0.5000000 -0.4876824), wk = 0.0032468 k( 287) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032468 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 289) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0032468 k( 290) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0032468 k( 291) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0032468 k( 292) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0032468 k( 293) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0032468 k( 294) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0032468 k( 295) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0032468 k( 296) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0032468 k( 297) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0032468 k( 298) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0032468 k( 299) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0032468 k( 300) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0032468 k( 301) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0032468 k( 302) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0032468 k( 303) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0032468 k( 304) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0032468 k( 305) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0032468 k( 306) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0032468 k( 307) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0032468 k( 308) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032468 Dense grid: 79887 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 38789 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 276, 76) NL pseudopotentials 0.39 Mb ( 138, 186) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2220) G-vector shells 0.01 Mb ( 1020) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 276, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.43 Mb ( 186, 2, 76) The potential is recalculated from file : ./BaZrO3.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4.9 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 7.7 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 10.5 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 13.3 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 16.1 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.9 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 21.7 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.5 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.3 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.1 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.9 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 35.7 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 38.6 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 41.4 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.2 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.1 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.0 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.8 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.6 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.5 secs Computing kpt #: 21 total cpu time spent up to now is 61.1 secs Computing kpt #: 22 total cpu time spent up to now is 62.8 secs Computing kpt #: 23 total cpu time spent up to now is 64.5 secs Computing kpt #: 24 total cpu time spent up to now is 66.3 secs Computing kpt #: 25 total cpu time spent up to now is 68.0 secs Computing kpt #: 26 total cpu time spent up to now is 69.6 secs Computing kpt #: 27 total cpu time spent up to now is 71.2 secs Computing kpt #: 28 total cpu time spent up to now is 72.8 secs Computing kpt #: 29 total cpu time spent up to now is 74.4 secs Computing kpt #: 30 total cpu time spent up to now is 76.0 secs Computing kpt #: 31 total cpu time spent up to now is 77.9 secs Computing kpt #: 32 total cpu time spent up to now is 80.0 secs Computing kpt #: 33 total cpu time spent up to now is 82.2 secs Computing kpt #: 34 total cpu time spent up to now is 84.7 secs Computing kpt #: 35 total cpu time spent up to now is 87.3 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.0 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.8 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.5 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.2 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.7 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.4 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 109.2 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.9 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.6 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.4 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.2 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.9 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.5 secs Computing kpt #: 50 total cpu time spent up to now is 127.8 secs Computing kpt #: 51 total cpu time spent up to now is 129.6 secs Computing kpt #: 52 total cpu time spent up to now is 131.3 secs Computing kpt #: 53 total cpu time spent up to now is 132.8 secs Computing kpt #: 54 total cpu time spent up to now is 134.3 secs Computing kpt #: 55 total cpu time spent up to now is 135.7 secs Computing kpt #: 56 total cpu time spent up to now is 137.1 secs Computing kpt #: 57 total cpu time spent up to now is 138.4 secs Computing kpt #: 58 total cpu time spent up to now is 139.8 secs Computing kpt #: 59 total cpu time spent up to now is 141.0 secs Computing kpt #: 60 total cpu time spent up to now is 142.3 secs Computing kpt #: 61 total cpu time spent up to now is 143.6 secs Computing kpt #: 62 total cpu time spent up to now is 145.0 secs Computing kpt #: 63 total cpu time spent up to now is 146.3 secs Computing kpt #: 64 total cpu time spent up to now is 147.6 secs Computing kpt #: 65 total cpu time spent up to now is 148.9 secs Computing kpt #: 66 total cpu time spent up to now is 150.2 secs Computing kpt #: 67 total cpu time spent up to now is 151.5 secs Computing kpt #: 68 total cpu time spent up to now is 152.8 secs Computing kpt #: 69 total cpu time spent up to now is 154.1 secs Computing kpt #: 70 total cpu time spent up to now is 155.4 secs Computing kpt #: 71 total cpu time spent up to now is 156.7 secs Computing kpt #: 72 total cpu time spent up to now is 157.9 secs Computing kpt #: 73 total cpu time spent up to now is 159.2 secs Computing kpt #: 74 total cpu time spent up to now is 160.5 secs Computing kpt #: 75 total cpu time spent up to now is 161.7 secs Computing kpt #: 76 total cpu time spent up to now is 163.0 secs Computing kpt #: 77 total cpu time spent up to now is 164.2 secs Computing kpt #: 78 total cpu time spent up to now is 165.4 secs Computing kpt #: 79 total cpu time spent up to now is 166.6 secs Computing kpt #: 80 total cpu time spent up to now is 167.8 secs Computing kpt #: 81 total cpu time spent up to now is 169.1 secs Computing kpt #: 82 total cpu time spent up to now is 170.3 secs Computing kpt #: 83 total cpu time spent up to now is 171.5 secs Computing kpt #: 84 total cpu time spent up to now is 172.7 secs Computing kpt #: 85 total cpu time spent up to now is 173.8 secs Computing kpt #: 86 total cpu time spent up to now is 175.0 secs Computing kpt #: 87 total cpu time spent up to now is 176.2 secs Computing kpt #: 88 total cpu time spent up to now is 177.4 secs Computing kpt #: 89 total cpu time spent up to now is 178.5 secs Computing kpt #: 90 total cpu time spent up to now is 179.7 secs Computing kpt #: 91 total cpu time spent up to now is 180.8 secs Computing kpt #: 92 total cpu time spent up to now is 182.1 secs Computing kpt #: 93 total cpu time spent up to now is 183.3 secs Computing kpt #: 94 total cpu time spent up to now is 184.7 secs Computing kpt #: 95 total cpu time spent up to now is 187.3 secs Computing kpt #: 96 total cpu time spent up to now is 189.6 secs Computing kpt #: 97 total cpu time spent up to now is 191.4 secs Computing kpt #: 98 total cpu time spent up to now is 193.0 secs Computing kpt #: 99 total cpu time spent up to now is 194.7 secs Computing kpt #: 100 total cpu time spent up to now is 196.4 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.2 secs Computing kpt #: 102 total cpu time spent up to now is 201.9 secs Computing kpt #: 103 total cpu time spent up to now is 203.8 secs Computing kpt #: 104 total cpu time spent up to now is 205.8 secs Computing kpt #: 105 total cpu time spent up to now is 207.7 secs Computing kpt #: 106 total cpu time spent up to now is 209.6 secs Computing kpt #: 107 total cpu time spent up to now is 211.6 secs Computing kpt #: 108 total cpu time spent up to now is 213.8 secs Computing kpt #: 109 total cpu time spent up to now is 215.8 secs Computing kpt #: 110 total cpu time spent up to now is 218.1 secs Computing kpt #: 111 total cpu time spent up to now is 220.9 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.7 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.4 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.4 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.3 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.9 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.7 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.5 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.2 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.0 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.8 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.5 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.3 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.1 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.6 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.4 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.2 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 274.0 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.8 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.6 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.4 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.2 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.0 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.6 secs Computing kpt #: 138 total cpu time spent up to now is 295.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.0 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.9 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.6 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.3 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.1 secs Computing kpt #: 144 total cpu time spent up to now is 310.6 secs Computing kpt #: 145 total cpu time spent up to now is 312.2 secs Computing kpt #: 146 total cpu time spent up to now is 313.8 secs Computing kpt #: 147 total cpu time spent up to now is 315.5 secs Computing kpt #: 148 total cpu time spent up to now is 317.1 secs Computing kpt #: 149 total cpu time spent up to now is 318.8 secs Computing kpt #: 150 total cpu time spent up to now is 320.7 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 323.6 secs Computing kpt #: 152 total cpu time spent up to now is 325.1 secs Computing kpt #: 153 total cpu time spent up to now is 326.6 secs Computing kpt #: 154 total cpu time spent up to now is 328.1 secs Computing kpt #: 155 total cpu time spent up to now is 329.7 secs Computing kpt #: 156 total cpu time spent up to now is 331.3 secs Computing kpt #: 157 total cpu time spent up to now is 333.0 secs Computing kpt #: 158 total cpu time spent up to now is 334.8 secs Computing kpt #: 159 total cpu time spent up to now is 336.7 secs Computing kpt #: 160 total cpu time spent up to now is 338.7 secs Computing kpt #: 161 total cpu time spent up to now is 340.7 secs Computing kpt #: 162 total cpu time spent up to now is 342.7 secs Computing kpt #: 163 total cpu time spent up to now is 345.2 secs Computing kpt #: 164 total cpu time spent up to now is 347.3 secs Computing kpt #: 165 total cpu time spent up to now is 349.5 secs Computing kpt #: 166 total cpu time spent up to now is 351.3 secs Computing kpt #: 167 total cpu time spent up to now is 353.1 secs Computing kpt #: 168 total cpu time spent up to now is 355.1 secs Computing kpt #: 169 total cpu time spent up to now is 357.3 secs Computing kpt #: 170 total cpu time spent up to now is 359.3 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 362.2 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.1 secs Computing kpt #: 173 total cpu time spent up to now is 366.8 secs Computing kpt #: 174 total cpu time spent up to now is 368.4 secs Computing kpt #: 175 total cpu time spent up to now is 370.0 secs Computing kpt #: 176 total cpu time spent up to now is 371.3 secs Computing kpt #: 177 total cpu time spent up to now is 372.6 secs Computing kpt #: 178 total cpu time spent up to now is 373.9 secs Computing kpt #: 179 total cpu time spent up to now is 375.1 secs Computing kpt #: 180 total cpu time spent up to now is 376.3 secs Computing kpt #: 181 total cpu time spent up to now is 377.5 secs Computing kpt #: 182 total cpu time spent up to now is 378.8 secs Computing kpt #: 183 total cpu time spent up to now is 380.0 secs Computing kpt #: 184 total cpu time spent up to now is 381.2 secs Computing kpt #: 185 total cpu time spent up to now is 382.4 secs Computing kpt #: 186 total cpu time spent up to now is 383.6 secs Computing kpt #: 187 total cpu time spent up to now is 384.8 secs Computing kpt #: 188 total cpu time spent up to now is 386.0 secs Computing kpt #: 189 total cpu time spent up to now is 387.2 secs Computing kpt #: 190 total cpu time spent up to now is 388.4 secs Computing kpt #: 191 total cpu time spent up to now is 389.5 secs Computing kpt #: 192 total cpu time spent up to now is 390.7 secs Computing kpt #: 193 total cpu time spent up to now is 391.9 secs Computing kpt #: 194 total cpu time spent up to now is 393.0 secs Computing kpt #: 195 total cpu time spent up to now is 394.2 secs Computing kpt #: 196 total cpu time spent up to now is 395.3 secs Computing kpt #: 197 total cpu time spent up to now is 396.4 secs Computing kpt #: 198 total cpu time spent up to now is 397.5 secs Computing kpt #: 199 total cpu time spent up to now is 398.7 secs Computing kpt #: 200 total cpu time spent up to now is 399.8 secs Computing kpt #: 201 total cpu time spent up to now is 400.9 secs Computing kpt #: 202 total cpu time spent up to now is 402.1 secs Computing kpt #: 203 total cpu time spent up to now is 403.2 secs Computing kpt #: 204 total cpu time spent up to now is 404.3 secs Computing kpt #: 205 total cpu time spent up to now is 405.4 secs Computing kpt #: 206 total cpu time spent up to now is 406.5 secs Computing kpt #: 207 total cpu time spent up to now is 407.7 secs Computing kpt #: 208 total cpu time spent up to now is 408.8 secs Computing kpt #: 209 total cpu time spent up to now is 409.9 secs Computing kpt #: 210 total cpu time spent up to now is 411.1 secs Computing kpt #: 211 total cpu time spent up to now is 412.2 secs Computing kpt #: 212 total cpu time spent up to now is 413.3 secs Computing kpt #: 213 total cpu time spent up to now is 414.5 secs Computing kpt #: 214 total cpu time spent up to now is 415.6 secs Computing kpt #: 215 total cpu time spent up to now is 416.7 secs Computing kpt #: 216 total cpu time spent up to now is 417.9 secs Computing kpt #: 217 total cpu time spent up to now is 419.0 secs Computing kpt #: 218 total cpu time spent up to now is 420.2 secs Computing kpt #: 219 total cpu time spent up to now is 421.3 secs Computing kpt #: 220 total cpu time spent up to now is 422.5 secs Computing kpt #: 221 total cpu time spent up to now is 423.7 secs Computing kpt #: 222 total cpu time spent up to now is 424.9 secs Computing kpt #: 223 total cpu time spent up to now is 426.1 secs Computing kpt #: 224 total cpu time spent up to now is 427.3 secs Computing kpt #: 225 total cpu time spent up to now is 428.6 secs Computing kpt #: 226 total cpu time spent up to now is 429.8 secs Computing kpt #: 227 total cpu time spent up to now is 431.0 secs Computing kpt #: 228 total cpu time spent up to now is 432.3 secs Computing kpt #: 229 total cpu time spent up to now is 433.5 secs Computing kpt #: 230 total cpu time spent up to now is 434.8 secs Computing kpt #: 231 total cpu time spent up to now is 436.0 secs Computing kpt #: 232 total cpu time spent up to now is 437.3 secs Computing kpt #: 233 total cpu time spent up to now is 438.6 secs Computing kpt #: 234 total cpu time spent up to now is 439.9 secs Computing kpt #: 235 total cpu time spent up to now is 441.1 secs Computing kpt #: 236 total cpu time spent up to now is 442.4 secs Computing kpt #: 237 total cpu time spent up to now is 443.7 secs Computing kpt #: 238 total cpu time spent up to now is 445.0 secs Computing kpt #: 239 total cpu time spent up to now is 446.3 secs Computing kpt #: 240 total cpu time spent up to now is 447.6 secs Computing kpt #: 241 total cpu time spent up to now is 448.9 secs Computing kpt #: 242 total cpu time spent up to now is 450.2 secs Computing kpt #: 243 total cpu time spent up to now is 451.6 secs Computing kpt #: 244 total cpu time spent up to now is 452.9 secs Computing kpt #: 245 total cpu time spent up to now is 454.3 secs Computing kpt #: 246 total cpu time spent up to now is 455.7 secs Computing kpt #: 247 total cpu time spent up to now is 457.1 secs Computing kpt #: 248 total cpu time spent up to now is 458.4 secs Computing kpt #: 249 total cpu time spent up to now is 459.8 secs Computing kpt #: 250 total cpu time spent up to now is 461.1 secs Computing kpt #: 251 total cpu time spent up to now is 462.5 secs Computing kpt #: 252 total cpu time spent up to now is 463.9 secs Computing kpt #: 253 total cpu time spent up to now is 465.2 secs Computing kpt #: 254 total cpu time spent up to now is 466.5 secs Computing kpt #: 255 total cpu time spent up to now is 467.8 secs Computing kpt #: 256 total cpu time spent up to now is 469.1 secs Computing kpt #: 257 total cpu time spent up to now is 470.4 secs Computing kpt #: 258 total cpu time spent up to now is 471.7 secs Computing kpt #: 259 total cpu time spent up to now is 473.0 secs Computing kpt #: 260 total cpu time spent up to now is 474.3 secs Computing kpt #: 261 total cpu time spent up to now is 475.6 secs Computing kpt #: 262 total cpu time spent up to now is 476.9 secs Computing kpt #: 263 total cpu time spent up to now is 478.2 secs Computing kpt #: 264 total cpu time spent up to now is 479.5 secs Computing kpt #: 265 total cpu time spent up to now is 480.8 secs Computing kpt #: 266 total cpu time spent up to now is 482.1 secs Computing kpt #: 267 total cpu time spent up to now is 483.4 secs Computing kpt #: 268 total cpu time spent up to now is 484.7 secs Computing kpt #: 269 total cpu time spent up to now is 486.0 secs Computing kpt #: 270 total cpu time spent up to now is 487.3 secs Computing kpt #: 271 total cpu time spent up to now is 488.8 secs Computing kpt #: 272 total cpu time spent up to now is 490.1 secs Computing kpt #: 273 total cpu time spent up to now is 491.6 secs Computing kpt #: 274 total cpu time spent up to now is 492.9 secs Computing kpt #: 275 total cpu time spent up to now is 494.4 secs Computing kpt #: 276 total cpu time spent up to now is 495.9 secs Computing kpt #: 277 total cpu time spent up to now is 497.5 secs Computing kpt #: 278 total cpu time spent up to now is 499.2 secs Computing kpt #: 279 total cpu time spent up to now is 501.2 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 504.1 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.0 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.8 secs Computing kpt #: 283 total cpu time spent up to now is 511.6 secs Computing kpt #: 284 total cpu time spent up to now is 513.2 secs Computing kpt #: 285 total cpu time spent up to now is 515.0 secs Computing kpt #: 286 total cpu time spent up to now is 516.9 secs Computing kpt #: 287 total cpu time spent up to now is 519.2 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 522.0 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.7 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 527.4 secs Computing kpt #: 291 total cpu time spent up to now is 530.5 secs Computing kpt #: 292 total cpu time spent up to now is 533.2 secs Computing kpt #: 293 total cpu time spent up to now is 535.6 secs Computing kpt #: 294 total cpu time spent up to now is 538.0 secs Computing kpt #: 295 total cpu time spent up to now is 540.0 secs Computing kpt #: 296 total cpu time spent up to now is 541.9 secs Computing kpt #: 297 total cpu time spent up to now is 543.6 secs Computing kpt #: 298 total cpu time spent up to now is 545.2 secs Computing kpt #: 299 total cpu time spent up to now is 546.7 secs Computing kpt #: 300 total cpu time spent up to now is 552.1 secs Computing kpt #: 301 total cpu time spent up to now is 553.5 secs Computing kpt #: 302 total cpu time spent up to now is 554.9 secs Computing kpt #: 303 total cpu time spent up to now is 556.3 secs Computing kpt #: 304 total cpu time spent up to now is 557.7 secs Computing kpt #: 305 total cpu time spent up to now is 559.0 secs Computing kpt #: 306 total cpu time spent up to now is 560.3 secs Computing kpt #: 307 total cpu time spent up to now is 561.5 secs Computing kpt #: 308 total cpu time spent up to now is 562.8 secs ethr = 1.56E-08, avg # of iterations = 62.0 total cpu time spent up to now is 562.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4845 PWs) bands (ev): -13.8939 -13.8939 -13.5024 -13.5024 -6.0764 -6.0764 -5.9869 -5.9869 -5.8345 -5.8345 -4.9993 -4.9993 -4.8747 -4.8747 -4.8694 -4.8694 -1.1658 -1.1658 -0.3975 -0.3975 0.2957 0.2957 0.4772 0.4772 1.4222 1.4222 1.5382 1.5382 6.3063 6.3063 6.4292 6.4292 7.1236 7.1236 7.8900 7.8900 8.4810 8.4810 8.5532 8.5532 9.2272 9.2272 9.5211 9.5211 9.6008 9.6008 9.6026 9.6026 9.7052 9.7052 9.7127 9.7127 10.3658 10.3658 10.5525 10.5525 10.5644 10.5644 11.1711 11.1711 11.3407 11.3407 11.3455 11.3455 14.0401 14.0401 14.0809 14.0809 14.2431 14.2431 15.5872 15.5872 16.4734 16.4734 17.8962 17.8984 k = 0.0000 0.0000 0.0174 ( 4829 PWs) bands (ev): -13.8937 -13.8937 -13.5026 -13.5026 -6.0763 -6.0763 -5.9863 -5.9863 -5.8345 -5.8345 -5.0002 -5.0002 -4.8754 -4.8754 -4.8706 -4.8706 -1.1644 -1.1644 -0.3972 -0.3972 0.2973 0.2973 0.4786 0.4786 1.4225 1.4225 1.5386 1.5386 6.3088 6.3088 6.4300 6.4300 7.1252 7.1252 7.8894 7.8894 8.4800 8.4800 8.5516 8.5516 9.2257 9.2257 9.5185 9.5185 9.5984 9.5984 9.6002 9.6002 9.7030 9.7030 9.7112 9.7112 10.3653 10.3653 10.5517 10.5517 10.5638 10.5638 11.1683 11.1683 11.3365 11.3365 11.3441 11.3441 14.0429 14.0429 14.0840 14.0840 14.2483 14.2483 15.5904 15.5904 16.4761 16.4761 17.8924 17.8977 k = 0.0000 0.0000 0.0348 ( 4845 PWs) bands (ev): -13.8929 -13.8929 -13.5030 -13.5030 -6.0763 -6.0763 -5.9846 -5.9846 -5.8346 -5.8346 -5.0029 -5.0029 -4.8784 -4.8784 -4.8735 -4.8735 -1.1604 -1.1604 -0.3961 -0.3961 0.3022 0.3022 0.4829 0.4829 1.4234 1.4234 1.5399 1.5399 6.3160 6.3160 6.4326 6.4326 7.1303 7.1303 7.8875 7.8875 8.4769 8.4769 8.5470 8.5470 9.2211 9.2211 9.5108 9.5108 9.5909 9.5909 9.5931 9.5931 9.6960 9.6960 9.7067 9.7067 10.3640 10.3640 10.5482 10.5482 10.5632 10.5632 11.1595 11.1595 11.3232 11.3232 11.3410 11.3410 14.0497 14.0497 14.0948 14.0948 14.2637 14.2637 15.6003 15.6003 16.4842 16.4842 17.9030 17.9068 k = 0.0000 0.0000 0.0522 ( 4853 PWs) bands (ev): -13.8916 -13.8916 -13.5038 -13.5038 -6.0766 -6.0766 -5.9813 -5.9813 -5.8346 -5.8346 -5.0076 -5.0076 -4.8847 -4.8847 -4.8768 -4.8768 -1.1537 -1.1537 -0.3944 -0.3944 0.3103 0.3103 0.4901 0.4901 1.4250 1.4250 1.5421 1.5421 6.3269 6.3269 6.4376 6.4376 7.1391 7.1391 7.8843 7.8843 8.4714 8.4714 8.5396 8.5396 9.2133 9.2133 9.4981 9.4981 9.5783 9.5783 9.5818 9.5818 9.6841 9.6841 9.6998 9.6998 10.3616 10.3616 10.5405 10.5405 10.5638 10.5638 11.1433 11.1433 11.3027 11.3027 11.3366 11.3366 14.0577 14.0577 14.1159 14.1159 14.2894 14.2894 15.6166 15.6166 16.4975 16.4975 17.9070 17.9095 k = 0.0000 0.0000 0.0696 ( 4849 PWs) bands (ev): -13.8898 -13.8898 -13.5048 -13.5048 -6.0779 -6.0779 -5.9760 -5.9760 -5.8345 -5.8345 -5.0146 -5.0146 -4.8940 -4.8940 -4.8803 -4.8803 -1.1443 -1.1443 -0.3920 -0.3920 0.3215 0.3215 0.5001 0.5001 1.4270 1.4270 1.5452 1.5452 6.3399 6.3399 6.4459 6.4459 7.1519 7.1519 7.8797 7.8797 8.4630 8.4630 8.5302 8.5302 9.2022 9.2022 9.4806 9.4806 9.5606 9.5606 9.5662 9.5662 9.6673 9.6673 9.6907 9.6907 10.3580 10.3580 10.5288 10.5288 10.5658 10.5658 11.1174 11.1174 11.2783 11.2783 11.3306 11.3306 14.0653 14.0653 14.1484 14.1484 14.3249 14.3249 15.6394 15.6394 16.5162 16.5162 17.9217 17.9236 k = 0.0000 0.0000 0.0870 ( 4849 PWs) bands (ev): -13.8875 -13.8875 -13.5061 -13.5061 -6.0807 -6.0807 -5.9685 -5.9685 -5.8341 -5.8341 -5.0242 -5.0242 -4.9052 -4.9052 -4.8845 -4.8845 -1.1324 -1.1324 -0.3889 -0.3889 0.3360 0.3360 0.5128 0.5128 1.4297 1.4297 1.5492 1.5492 6.3528 6.3528 6.4591 6.4591 7.1697 7.1697 7.8735 7.8735 8.4508 8.4508 8.5196 8.5196 9.1876 9.1876 9.4587 9.4587 9.5383 9.5383 9.5464 9.5464 9.6461 9.6461 9.6794 9.6794 10.3529 10.3529 10.5136 10.5136 10.5686 10.5686 11.0794 11.0794 11.2538 11.2538 11.3233 11.3233 14.0727 14.0727 14.1917 14.1917 14.3701 14.3701 15.6685 15.6685 16.5401 16.5401 17.9284 17.9356 k = 0.0000 0.0000 0.1044 ( 4853 PWs) bands (ev): -13.8848 -13.8848 -13.5077 -13.5077 -6.0853 -6.0853 -5.9585 -5.9585 -5.8332 -5.8332 -5.0370 -5.0370 -4.9177 -4.9177 -4.8894 -4.8894 -1.1179 -1.1179 -0.3853 -0.3853 0.3535 0.3535 0.5283 0.5283 1.4329 1.4329 1.5540 1.5540 6.3636 6.3636 6.4779 6.4779 7.1931 7.1931 7.8655 7.8655 8.4344 8.4344 8.5085 8.5085 9.1694 9.1694 9.4327 9.4327 9.5117 9.5117 9.5228 9.5228 9.6206 9.6206 9.6661 9.6661 10.3462 10.3462 10.4952 10.4952 10.5719 10.5719 11.0284 11.0284 11.2316 11.2316 11.3148 11.3148 14.0804 14.0804 14.2447 14.2447 14.4243 14.4243 15.7038 15.7038 16.5691 16.5691 17.9471 17.9489 k = 0.0000 0.0000 0.1218 ( 4853 PWs) bands (ev): -13.8815 -13.8815 -13.5096 -13.5096 -6.0920 -6.0920 -5.9461 -5.9461 -5.8314 -5.8314 -5.0536 -5.0536 -4.9305 -4.9305 -4.8951 -4.8951 -1.1010 -1.1010 -0.3810 -0.3810 0.3740 0.3740 0.5465 0.5465 1.4366 1.4366 1.5597 1.5597 6.3714 6.3714 6.5019 6.5019 7.2232 7.2232 7.8555 7.8555 8.4134 8.4134 8.4973 8.4973 9.1470 9.1470 9.4030 9.4030 9.4812 9.4812 9.4954 9.4954 9.5913 9.5913 9.6509 9.6509 10.3374 10.3374 10.4741 10.4741 10.5754 10.5754 10.9656 10.9656 11.2121 11.2121 11.3054 11.3054 14.0888 14.0888 14.3065 14.3065 14.4871 14.4871 15.7452 15.7452 16.6030 16.6030 17.9582 17.9625 k = 0.0000 0.0000 0.1392 ( 4861 PWs) bands (ev): -13.8778 -13.8778 -13.5117 -13.5117 -6.1007 -6.1007 -5.9318 -5.9318 -5.8283 -5.8283 -5.0742 -5.0742 -4.9430 -4.9430 -4.9015 -4.9015 -1.0817 -1.0817 -0.3761 -0.3761 0.3975 0.3975 0.5673 0.5673 1.4407 1.4407 1.5663 1.5663 6.3767 6.3767 6.5293 6.5293 7.2612 7.2612 7.8432 7.8432 8.3884 8.3884 8.4859 8.4859 9.1202 9.1202 9.3700 9.3700 9.4473 9.4473 9.4647 9.4647 9.5585 9.5585 9.6337 9.6337 10.3260 10.3260 10.4505 10.4505 10.5790 10.5790 10.8938 10.8938 11.1947 11.1947 11.2952 11.2952 14.0980 14.0980 14.3764 14.3764 14.5577 14.5577 15.7926 15.7926 16.6419 16.6419 17.9639 17.9736 k = 0.0000 0.0000 0.1566 ( 4857 PWs) bands (ev): -13.8737 -13.8737 -13.5140 -13.5140 -6.1114 -6.1114 -5.9165 -5.9165 -5.8230 -5.8230 -5.0990 -5.0990 -4.9549 -4.9549 -4.9086 -4.9086 -1.0601 -1.0601 -0.3707 -0.3707 0.4239 0.4239 0.5907 0.5907 1.4453 1.4453 1.5737 1.5737 6.3801 6.3801 6.5579 6.5579 7.3082 7.3082 7.8282 7.8282 8.3598 8.3598 8.4741 8.4741 9.0883 9.0883 9.3341 9.3341 9.4105 9.4105 9.4311 9.4311 9.5228 9.5228 9.6148 9.6148 10.3115 10.3115 10.4248 10.4248 10.5826 10.5826 10.8160 10.8160 11.1786 11.1786 11.2845 11.2845 14.1080 14.1080 14.4537 14.4537 14.6356 14.6356 15.8457 15.8457 16.6855 16.6855 17.9781 17.9899 k = 0.0000 0.0000 0.1740 ( 4865 PWs) bands (ev): -13.8692 -13.8692 -13.5166 -13.5166 -6.1240 -6.1240 -5.9016 -5.9016 -5.8144 -5.8144 -5.1277 -5.1277 -4.9661 -4.9661 -4.9162 -4.9162 -1.0364 -1.0364 -0.3647 -0.3647 0.4530 0.4530 0.6166 0.6166 1.4503 1.4503 1.5819 1.5819 6.3822 6.3822 6.5857 6.5857 7.3651 7.3651 7.8101 7.8101 8.3285 8.3285 8.4614 8.4614 9.0506 9.0506 9.2955 9.2955 9.3717 9.3717 9.3950 9.3950 9.4846 9.4846 9.5942 9.5942 10.2926 10.2926 10.3973 10.3973 10.5859 10.5859 10.7354 10.7354 11.1635 11.1635 11.2734 11.2734 14.1189 14.1189 14.5377 14.5377 14.7200 14.7200 15.9043 15.9043 16.7336 16.7336 17.9874 17.9973 k = 0.0000 0.0000 0.1914 ( 4873 PWs) bands (ev): -13.8642 -13.8642 -13.5194 -13.5194 -6.1383 -6.1383 -5.8885 -5.8885 -5.8012 -5.8012 -5.1600 -5.1600 -4.9766 -4.9766 -4.9243 -4.9243 -1.0107 -1.0107 -0.3583 -0.3583 0.4847 0.4847 0.6448 0.6448 1.4556 1.4556 1.5909 1.5909 6.3835 6.3835 6.6114 6.6114 7.4323 7.4323 7.7882 7.7882 8.2953 8.2953 8.4474 8.4474 9.0063 9.0063 9.2545 9.2545 9.3314 9.3314 9.3567 9.3567 9.4446 9.4446 9.5719 9.5719 10.2680 10.2680 10.3686 10.3686 10.5891 10.5891 10.6555 10.6555 11.1490 11.1490 11.2622 11.2622 14.1307 14.1307 14.6278 14.6278 14.8102 14.8102 15.9682 15.9682 16.7860 16.7860 17.9925 17.9990 k = 0.0000 0.0000 0.2088 ( 4867 PWs) bands (ev): -13.8589 -13.8589 -13.5224 -13.5224 -6.1542 -6.1542 -5.8782 -5.8782 -5.7826 -5.7826 -5.1953 -5.1953 -4.9867 -4.9867 -4.9328 -4.9328 -0.9831 -0.9831 -0.3515 -0.3515 0.5188 0.5188 0.6754 0.6754 1.4612 1.4612 1.6006 1.6006 6.3842 6.3842 6.6342 6.6342 7.5101 7.5101 7.7622 7.7622 8.2611 8.2611 8.4320 8.4320 8.9549 8.9549 9.2116 9.2116 9.2902 9.2902 9.3169 9.3169 9.4033 9.4033 9.5481 9.5481 10.2355 10.2355 10.3389 10.3389 10.5803 10.5803 10.5919 10.5919 11.1350 11.1350 11.2509 11.2509 14.1433 14.1433 14.7232 14.7232 14.9057 14.9057 16.0371 16.0371 16.8425 16.8425 17.9925 18.0025 k = 0.0000 0.0000 0.2262 ( 4863 PWs) bands (ev): -13.8533 -13.8533 -13.5256 -13.5256 -6.1714 -6.1714 -5.8706 -5.8706 -5.7589 -5.7589 -5.2332 -5.2332 -4.9964 -4.9964 -4.9417 -4.9417 -0.9537 -0.9537 -0.3443 -0.3443 0.5553 0.5553 0.7082 0.7082 1.4671 1.4671 1.6110 1.6110 6.3846 6.3846 6.6536 6.6536 7.5980 7.5980 7.7315 7.7315 8.2264 8.2264 8.4148 8.4148 8.8956 8.8956 9.1671 9.1671 9.2487 9.2487 9.2760 9.2760 9.3614 9.3614 9.5228 9.5228 10.1927 10.1927 10.3088 10.3088 10.5138 10.5138 10.5944 10.5944 11.1215 11.1215 11.2398 11.2398 14.1568 14.1568 14.8235 14.8235 15.0056 15.0056 16.1109 16.1109 16.9028 16.9028 17.9899 17.9980 k = 0.0000 0.0000 0.2436 ( 4863 PWs) bands (ev): -13.8474 -13.8474 -13.5289 -13.5289 -6.1898 -6.1898 -5.8649 -5.8649 -5.7311 -5.7311 -5.2731 -5.2731 -5.0059 -5.0059 -4.9507 -4.9507 -0.9227 -0.9227 -0.3367 -0.3367 0.5939 0.5939 0.7431 0.7431 1.4732 1.4732 1.6221 1.6221 6.3846 6.3846 6.6698 6.6698 7.6942 7.6942 7.6968 7.6968 8.1920 8.1920 8.3955 8.3955 8.8282 8.8282 9.1217 9.1217 9.2068 9.2068 9.2343 9.2343 9.3194 9.3194 9.4963 9.4963 10.1384 10.1384 10.2787 10.2787 10.4586 10.4586 10.5965 10.5965 11.1085 11.1085 11.2289 11.2289 14.1710 14.1710 14.9280 14.9280 15.1095 15.1095 16.1892 16.1892 16.9666 16.9666 17.9867 18.0044 k = 0.0000 0.0000 0.2610 ( 4861 PWs) bands (ev): -13.8412 -13.8412 -13.5324 -13.5324 -6.2093 -6.2093 -5.8604 -5.8604 -5.7002 -5.7002 -5.3148 -5.3148 -5.0152 -5.0152 -4.9599 -4.9599 -0.8903 -0.8903 -0.3289 -0.3289 0.6344 0.6344 0.7801 0.7801 1.4796 1.4796 1.6338 1.6338 6.3845 6.3845 6.6829 6.6829 7.6542 7.6542 7.8014 7.8014 8.1582 8.1582 8.3739 8.3739 8.7530 8.7530 9.0759 9.0759 9.1646 9.1646 9.1923 9.1923 9.2782 9.2782 9.4685 9.4685 10.0738 10.0738 10.2489 10.2489 10.4147 10.4147 10.5982 10.5982 11.0960 11.0960 11.2183 11.2183 14.1859 14.1859 15.0361 15.0361 15.2166 15.2166 16.2716 16.2716 17.0333 17.0333 17.9753 17.9845 k = 0.0000 0.0000 0.2784 ( 4853 PWs) bands (ev): -13.8347 -13.8347 -13.5359 -13.5359 -6.2297 -6.2297 -5.8566 -5.8566 -5.6670 -5.6670 -5.3576 -5.3576 -5.0245 -5.0245 -4.9690 -4.9690 -0.8566 -0.8566 -0.3208 -0.3208 0.6766 0.6766 0.8191 0.8191 1.4861 1.4861 1.6459 1.6459 6.3842 6.3842 6.6933 6.6933 7.6073 7.6073 7.9147 7.9147 8.1252 8.1252 8.3496 8.3496 8.6707 8.6707 9.0302 9.0302 9.1221 9.1221 9.1502 9.1502 9.2381 9.2381 9.4398 9.4398 10.0023 10.0023 10.2197 10.2197 10.3800 10.3800 10.5995 10.5995 11.0840 11.0840 11.2081 11.2081 14.2015 14.2015 15.1471 15.1471 15.3263 15.3263 16.3579 16.3579 17.1026 17.1026 17.9589 17.9637 k = 0.0000 0.0000 0.2958 ( 4857 PWs) bands (ev): -13.8281 -13.8281 -13.5396 -13.5396 -6.2508 -6.2508 -5.8532 -5.8532 -5.6320 -5.6320 -5.4014 -5.4014 -5.0336 -5.0336 -4.9780 -4.9780 -0.8219 -0.8219 -0.3126 -0.3126 0.7202 0.7202 0.8599 0.8599 1.4927 1.4927 1.6585 1.6585 6.3838 6.3838 6.7015 6.7015 7.5550 7.5550 8.0339 8.0339 8.0930 8.0930 8.3221 8.3221 8.5831 8.5831 8.9849 8.9849 9.0793 9.0793 9.1080 9.1080 9.1996 9.1996 9.4104 9.4104 9.9274 9.9274 10.1913 10.1913 10.3519 10.3519 10.6005 10.6005 11.0725 11.0725 11.1984 11.1984 14.2177 14.2177 15.2606 15.2606 15.4380 15.4380 16.4477 16.4477 17.1736 17.1736 17.9416 17.9445 k = 0.0000 0.0000 0.3132 ( 4853 PWs) bands (ev): -13.8213 -13.8213 -13.5433 -13.5433 -6.2725 -6.2725 -5.8499 -5.8499 -5.5958 -5.5958 -5.4457 -5.4457 -5.0427 -5.0427 -4.9866 -4.9866 -0.7862 -0.7862 -0.3042 -0.3042 0.7650 0.7650 0.9027 0.9027 1.4994 1.4994 1.6715 1.6715 6.3833 6.3833 6.7077 6.7077 7.4977 7.4977 8.0602 8.0602 8.1579 8.1579 8.2905 8.2905 8.4931 8.4931 8.9405 8.9405 9.0364 9.0364 9.0657 9.0657 9.1633 9.1633 9.3804 9.3804 9.8518 9.8518 10.1641 10.1641 10.3281 10.3281 10.6011 10.6011 11.0616 11.0616 11.1892 11.1892 14.2343 14.2343 15.3759 15.3759 15.5512 15.5512 16.5405 16.5405 17.2456 17.2456 17.9138 17.9144 k = 0.0000 0.0000 0.3306 ( 4841 PWs) bands (ev): -13.8144 -13.8144 -13.5471 -13.5471 -6.2946 -6.2946 -5.8468 -5.8468 -5.5591 -5.5591 -5.4900 -5.4900 -5.0517 -5.0517 -4.9946 -4.9946 -0.7498 -0.7498 -0.2957 -0.2957 0.8105 0.8105 0.9471 0.9471 1.5062 1.5062 1.6848 1.6848 6.3828 6.3828 6.7123 6.7123 7.4358 7.4358 8.0264 8.0264 8.2460 8.2460 8.2893 8.2893 8.4066 8.4066 8.8971 8.8971 8.9940 8.9940 9.0235 9.0235 9.1295 9.1295 9.3503 9.3503 9.7772 9.7772 10.1382 10.1382 10.3075 10.3075 10.6015 10.6015 11.0513 11.0513 11.1804 11.1804 14.2514 14.2514 15.4925 15.4925 15.6651 15.6651 16.6359 16.6359 17.3170 17.3170 17.8817 17.8819 k = 0.0000 0.0000 0.3480 ( 4845 PWs) bands (ev): -13.8073 -13.8073 -13.5509 -13.5509 -6.3170 -6.3170 -5.8437 -5.8437 -5.5372 -5.5372 -5.5191 -5.5191 -5.0606 -5.0606 -5.0018 -5.0018 -0.7129 -0.7129 -0.2872 -0.2872 0.8566 0.8566 0.9932 0.9932 1.5130 1.5130 1.6983 1.6983 6.3822 6.3822 6.7156 6.7156 7.3700 7.3700 7.9882 7.9882 8.1977 8.1977 8.3252 8.3252 8.4196 8.4196 8.8550 8.8550 8.9522 8.9522 8.9814 8.9814 9.0989 9.0989 9.3205 9.3205 9.7047 9.7047 10.1139 10.1139 10.2892 10.2892 10.6015 10.6015 11.0415 11.0415 11.1723 11.1723 14.2688 14.2688 15.6097 15.6097 15.7793 15.7793 16.7334 16.7334 17.3857 17.3857 17.8475 17.8475 k = 0.0000 0.0000 0.3654 ( 4843 PWs) bands (ev): -13.8003 -13.8003 -13.5548 -13.5548 -6.3395 -6.3395 -5.8406 -5.8406 -5.5796 -5.5796 -5.4839 -5.4839 -5.0694 -5.0694 -5.0079 -5.0079 -0.6757 -0.6757 -0.2787 -0.2787 0.9029 0.9029 1.0409 1.0409 1.5198 1.5198 1.7119 1.7119 6.3816 6.3816 6.7178 6.7178 7.3010 7.3010 7.9404 7.9404 8.1352 8.1352 8.2672 8.2672 8.5438 8.5438 8.8145 8.8145 8.9119 8.9119 8.9398 8.9398 9.0730 9.0730 9.2921 9.2921 9.6348 9.6348 10.0912 10.0912 10.2727 10.2727 10.6013 10.6013 11.0324 11.0324 11.1646 11.1646 14.2864 14.2864 15.7270 15.7270 15.8931 15.8931 16.8324 16.8324 17.4485 17.4485 17.8120 17.8120 k = 0.0000 0.0000 0.3828 ( 4833 PWs) bands (ev): -13.7932 -13.7932 -13.5585 -13.5585 -6.3620 -6.3620 -5.8375 -5.8375 -5.6231 -5.6231 -5.4479 -5.4479 -5.0782 -5.0782 -5.0123 -5.0123 -0.6384 -0.6384 -0.2702 -0.2702 0.9490 0.9490 1.0900 1.0900 1.5266 1.5266 1.7256 1.7256 6.3810 6.3810 6.7192 6.7192 7.2293 7.2293 7.8758 7.8758 8.0738 8.0738 8.2205 8.2205 8.6591 8.6591 8.7765 8.7765 8.8740 8.8740 8.8989 8.8989 9.0552 9.0552 9.2669 9.2669 9.5680 9.5680 10.0703 10.0703 10.2578 10.2578 10.6008 10.6008 11.0238 11.0238 11.1576 11.1576 14.3041 14.3041 15.8438 15.8438 16.0060 16.0060 16.9320 16.9320 17.5005 17.5005 17.7758 17.7758 k = 0.0000 0.0000 0.4002 ( 4839 PWs) bands (ev): -13.7862 -13.7862 -13.5623 -13.5623 -6.3842 -6.3842 -5.8345 -5.8345 -5.6658 -5.6658 -5.4132 -5.4132 -5.0868 -5.0868 -5.0147 -5.0147 -0.6013 -0.6013 -0.2619 -0.2619 0.9947 0.9947 1.1403 1.1403 1.5333 1.5333 1.7392 1.7392 6.3804 6.3804 6.7199 6.7199 7.1557 7.1557 7.7918 7.7918 8.0244 8.0244 8.1794 8.1794 8.7245 8.7245 8.7623 8.7623 8.8436 8.8436 8.8597 8.8597 9.0528 9.0528 9.2498 9.2498 9.5043 9.5043 10.0511 10.0511 10.2444 10.2444 10.6002 10.6002 11.0157 11.0157 11.1510 11.1510 14.3218 14.3218 15.9593 15.9593 16.1172 16.1172 17.0316 17.0316 17.5366 17.5366 17.7394 17.7394 k = 0.0000 0.0000 0.4176 ( 4842 PWs) bands (ev): -13.7793 -13.7793 -13.5660 -13.5660 -6.4062 -6.4062 -5.8314 -5.8314 -5.7075 -5.7075 -5.3808 -5.3808 -5.0954 -5.0954 -5.0146 -5.0146 -0.5645 -0.5645 -0.2537 -0.2537 1.0396 1.0396 1.1916 1.1916 1.5399 1.5399 1.7527 1.7527 6.3798 6.3798 6.7200 6.7200 7.0809 7.0809 7.6940 7.6940 7.9860 7.9860 8.1408 8.1408 8.6965 8.6965 8.7734 8.7734 8.8179 8.8179 8.8472 8.8472 9.0703 9.0703 9.2554 9.2554 9.4441 9.4441 10.0337 10.0337 10.2323 10.2323 10.5993 10.5993 11.0083 11.0083 11.1450 11.1450 14.3395 14.3395 16.0730 16.0730 16.2264 16.2264 17.1298 17.1298 17.5552 17.5552 17.7031 17.7031 k = 0.0000 0.0000 0.4350 ( 4826 PWs) bands (ev): -13.7724 -13.7724 -13.5696 -13.5696 -6.4276 -6.4276 -5.8284 -5.8284 -5.7478 -5.7478 -5.3514 -5.3514 -5.1038 -5.1038 -5.0112 -5.0112 -0.5282 -0.5282 -0.2458 -0.2458 1.0836 1.0836 1.2435 1.2435 1.5464 1.5464 1.7659 1.7659 6.3792 6.3792 6.7197 6.7197 7.0054 7.0054 7.5895 7.5895 7.9540 7.9540 8.1034 8.1034 8.6630 8.6630 8.7468 8.7468 8.7811 8.7811 8.8516 8.8516 9.0827 9.0827 9.3077 9.3077 9.3890 9.3890 10.0180 10.0180 10.2214 10.2214 10.5984 10.5984 11.0013 11.0013 11.1396 11.1396 14.3569 14.3569 16.1841 16.1841 16.3328 16.3328 17.2246 17.2246 17.5606 17.5606 17.6675 17.6675 k = 0.0000 0.0000 0.4524 ( 4818 PWs) bands (ev): -13.7658 -13.7658 -13.5731 -13.5731 -6.4485 -6.4485 -5.8254 -5.8254 -5.7867 -5.7867 -5.3258 -5.3258 -5.1120 -5.1120 -5.0042 -5.0042 -0.4927 -0.4927 -0.2381 -0.2381 1.1264 1.1264 1.2957 1.2957 1.5528 1.5528 1.7789 1.7789 6.3786 6.3786 6.7190 6.7190 6.9300 6.9300 7.4830 7.4830 7.9255 7.9255 8.0669 8.0669 8.6305 8.6305 8.7152 8.7152 8.7453 8.7453 8.8416 8.8416 9.0736 9.0736 9.3268 9.3268 9.4149 9.4149 10.0040 10.0040 10.2119 10.2119 10.5973 10.5973 10.9949 10.9949 11.1346 11.1346 14.3740 14.3740 16.2920 16.2920 16.4358 16.4358 17.3120 17.3120 17.5611 17.5611 17.6330 17.6330 k = 0.0000 0.0000 0.4698 ( 4830 PWs) bands (ev): -13.7593 -13.7593 -13.5765 -13.5765 -6.4687 -6.4687 -5.8255 -5.8255 -5.8209 -5.8209 -5.3046 -5.3046 -5.1201 -5.1201 -4.9933 -4.9933 -0.4583 -0.4583 -0.2306 -0.2306 1.1678 1.1678 1.3479 1.3479 1.5590 1.5590 1.7914 1.7914 6.3781 6.3781 6.7181 6.7181 6.8552 6.8552 7.3771 7.3771 7.8988 7.8988 8.0315 8.0315 8.5998 8.5998 8.6839 8.6839 8.7112 8.7112 8.8245 8.8245 9.0534 9.0534 9.2780 9.2780 9.5315 9.5315 9.9915 9.9915 10.2035 10.2035 10.5962 10.5962 10.9890 10.9890 11.1302 11.1302 14.3907 14.3907 16.3958 16.3958 16.5350 16.5350 17.3822 17.3822 17.5692 17.5692 17.6008 17.6008 k = 0.0000 0.0000 0.4872 ( 4820 PWs) bands (ev): -13.7531 -13.7531 -13.5798 -13.5798 -6.4880 -6.4880 -5.8595 -5.8595 -5.8193 -5.8193 -5.2879 -5.2879 -5.1278 -5.1278 -4.9784 -4.9784 -0.4250 -0.4250 -0.2235 -0.2235 1.2076 1.2076 1.3994 1.3994 1.5651 1.5651 1.8034 1.8034 6.3776 6.3776 6.7170 6.7170 6.7816 6.7816 7.2738 7.2738 7.8730 7.8730 7.9975 7.9975 8.5710 8.5710 8.6541 8.6541 8.6790 8.6790 8.8048 8.8048 9.0293 9.0293 9.2305 9.2305 9.6563 9.6563 9.9806 9.9806 10.1962 10.1962 10.5951 10.5951 10.9837 10.9837 11.1262 11.1262 14.4067 14.4067 16.4949 16.4949 16.6296 16.6296 17.4187 17.4187 17.5647 17.5647 17.6101 17.6101 k = 0.0000 0.0000 0.5046 ( 4828 PWs) bands (ev): -13.7472 -13.7472 -13.5828 -13.5828 -6.5063 -6.5063 -5.8929 -5.8929 -5.8166 -5.8166 -5.2755 -5.2755 -5.1352 -5.1352 -4.9601 -4.9601 -0.3932 -0.3932 -0.2168 -0.2168 1.2456 1.2456 1.4497 1.4497 1.5712 1.5712 1.8149 1.8149 6.3772 6.3772 6.7097 6.7097 6.7162 6.7162 7.1744 7.1744 7.8477 7.8477 7.9654 7.9654 8.5441 8.5441 8.6260 8.6260 8.6489 8.6489 8.7845 8.7845 9.0042 9.0042 9.1858 9.1858 9.7817 9.7817 9.9710 9.9710 10.1900 10.1900 10.5939 10.5939 10.9788 10.9788 11.1227 11.1227 14.4222 14.4222 16.5885 16.5885 16.7191 16.7191 17.4229 17.4229 17.5355 17.5355 17.6729 17.6729 k = 0.0000 0.0000 0.5220 ( 4828 PWs) bands (ev): -13.7416 -13.7416 -13.5858 -13.5858 -6.5236 -6.5236 -5.9241 -5.9241 -5.8139 -5.8139 -5.2668 -5.2668 -5.1423 -5.1423 -4.9393 -4.9393 -0.3630 -0.3630 -0.2105 -0.2105 1.2816 1.2816 1.4979 1.4979 1.5776 1.5776 1.8257 1.8257 6.3767 6.3767 6.6409 6.6409 6.7146 6.7146 7.0798 7.0798 7.8227 7.8227 7.9355 7.9355 8.5192 8.5192 8.5999 8.5999 8.6211 8.6211 8.7645 8.7645 8.9794 8.9794 9.1442 9.1442 9.9038 9.9038 9.9633 9.9633 10.1848 10.1848 10.5927 10.5927 10.9744 10.9744 11.1196 11.1196 14.4368 14.4368 16.6758 16.6758 16.8031 16.8031 17.4119 17.4119 17.5073 17.5073 17.7470 17.7470 k = 0.0000 0.0000 0.5394 ( 4840 PWs) bands (ev): -13.7363 -13.7363 -13.5885 -13.5885 -6.5398 -6.5398 -5.9530 -5.9530 -5.8114 -5.8114 -5.2611 -5.2611 -5.1489 -5.1489 -4.9170 -4.9170 -0.3346 -0.3346 -0.2046 -0.2046 1.3153 1.3153 1.5417 1.5417 1.5863 1.5863 1.8358 1.8358 6.3763 6.3763 6.5750 6.5750 6.7134 6.7134 6.9909 6.9909 7.7980 7.7980 7.9081 7.9081 8.4964 8.4964 8.5758 8.5758 8.5956 8.5956 8.7455 8.7455 8.9555 8.9555 9.1059 9.1059 9.9544 9.9544 10.0233 10.0233 10.1806 10.1806 10.5915 10.5915 10.9705 10.9705 11.1170 11.1170 14.4506 14.4506 16.7563 16.7563 16.8810 16.8810 17.3956 17.3956 17.4810 17.4810 17.8219 17.8219 k = 0.0000 0.0000 0.5568 ( 4840 PWs) bands (ev): -13.7315 -13.7315 -13.5910 -13.5910 -6.5547 -6.5547 -5.9796 -5.9796 -5.8091 -5.8091 -5.2577 -5.2577 -5.1550 -5.1550 -4.8941 -4.8941 -0.3083 -0.3083 -0.1992 -0.1992 1.3467 1.3467 1.5712 1.5712 1.6065 1.6065 1.8452 1.8452 6.3760 6.3760 6.5129 6.5129 6.7121 6.7121 6.9084 6.9084 7.7737 7.7737 7.8834 7.8834 8.4757 8.4757 8.5536 8.5536 8.5726 8.5726 8.7276 8.7276 8.9329 8.9329 9.0709 9.0709 9.9487 9.9487 10.1335 10.1335 10.1779 10.1779 10.5904 10.5904 10.9671 10.9671 11.1148 11.1148 14.4633 14.4633 16.8292 16.8292 16.9523 16.9523 17.3777 17.3777 17.4569 17.4569 17.8937 17.8937 k = 0.0000 0.0000 0.5742 ( 4846 PWs) bands (ev): -13.7270 -13.7270 -13.5932 -13.5932 -6.5682 -6.5682 -6.0036 -6.0036 -5.8069 -5.8069 -5.2559 -5.2559 -5.1606 -5.1606 -4.8716 -4.8716 -0.2842 -0.2842 -0.1943 -0.1943 1.3753 1.3753 1.5822 1.5822 1.6420 1.6420 1.8536 1.8536 6.3756 6.3756 6.4552 6.4552 6.7108 6.7108 6.8331 6.8331 7.7504 7.7504 7.8615 7.8615 8.4571 8.4571 8.5336 8.5336 8.5522 8.5522 8.7113 8.7113 8.9120 8.9120 9.0393 9.0393 9.9435 9.9435 10.1731 10.1731 10.2389 10.2389 10.5894 10.5894 10.9641 10.9641 11.1131 11.1131 14.4750 14.4750 16.8942 16.8942 17.0168 17.0168 17.3600 17.3600 17.4350 17.4350 17.9603 17.9603 k = 0.0000 0.0000 0.5916 ( 4850 PWs) bands (ev): -13.7230 -13.7230 -13.5953 -13.5953 -6.5804 -6.5804 -6.0250 -6.0250 -5.8049 -5.8049 -5.2552 -5.2552 -5.1656 -5.1656 -4.8503 -4.8503 -0.2625 -0.2625 -0.1899 -0.1899 1.4012 1.4012 1.5877 1.5877 1.6790 1.6790 1.8612 1.8612 6.3748 6.3748 6.4030 6.4030 6.7094 6.7094 6.7656 6.7656 7.7284 7.7284 7.8424 7.8424 8.4407 8.4407 8.5157 8.5157 8.5343 8.5343 8.6966 8.6966 8.8930 8.8930 9.0112 9.0112 9.9392 9.9392 10.1713 10.1713 10.3328 10.3328 10.5884 10.5884 10.9616 10.9616 11.1117 11.1117 14.4856 14.4856 16.9510 16.9510 17.0740 17.0740 17.3433 17.3433 17.4156 17.4156 18.0208 18.0208 k = 0.0000 0.0000 0.6090 ( 4844 PWs) bands (ev): -13.7195 -13.7195 -13.5971 -13.5971 -6.5911 -6.5911 -6.0437 -6.0437 -5.8031 -5.8031 -5.2552 -5.2552 -5.1700 -5.1700 -4.8307 -4.8307 -0.2434 -0.2434 -0.1861 -0.1861 1.4240 1.4240 1.5917 1.5917 1.7131 1.7131 1.8678 1.8678 6.3542 6.3542 6.3763 6.3763 6.7012 6.7012 6.7131 6.7131 7.7081 7.7081 7.8260 7.8260 8.4264 8.4264 8.5000 8.5000 8.5190 8.5190 8.6836 8.6836 8.8761 8.8761 8.9866 8.9866 9.9355 9.9355 10.1696 10.1696 10.4169 10.4169 10.5875 10.5875 10.9595 10.9595 11.1108 11.1108 14.4948 14.4948 16.9994 16.9994 17.1238 17.1238 17.3283 17.3283 17.3987 17.3987 18.0744 18.0744 k = 0.0000 0.0000 0.6264 ( 4844 PWs) bands (ev): -13.7165 -13.7165 -13.5986 -13.5986 -6.6002 -6.6002 -6.0597 -6.0597 -5.8016 -5.8016 -5.2556 -5.2556 -5.1738 -5.1738 -4.8133 -4.8133 -0.2269 -0.2269 -0.1828 -0.1828 1.4437 1.4437 1.5949 1.5949 1.7433 1.7433 1.8734 1.8734 6.3139 6.3139 6.3754 6.3754 6.6535 6.6535 6.7087 6.7087 7.6902 7.6902 7.8122 7.8122 8.4143 8.4143 8.4865 8.4865 8.5061 8.5061 8.6725 8.6725 8.8615 8.8615 8.9656 8.9656 9.9326 9.9326 10.1684 10.1684 10.4897 10.4897 10.5868 10.5868 10.9578 10.9578 11.1102 11.1102 14.5028 14.5028 17.0395 17.0395 17.1661 17.1661 17.3153 17.3153 17.3843 17.3843 18.1204 18.1205 k = 0.0000 0.0000 0.6438 ( 4844 PWs) bands (ev): -13.7140 -13.7140 -13.5999 -13.5999 -6.6077 -6.6077 -6.0728 -6.0728 -5.8003 -5.8003 -5.2561 -5.2561 -5.1769 -5.1769 -4.7986 -4.7986 -0.2132 -0.2132 -0.1802 -0.1802 1.4600 1.4600 1.5974 1.5974 1.7689 1.7689 1.8780 1.8780 6.2798 6.2798 6.3751 6.3751 6.6114 6.6114 6.7077 6.7077 7.6750 7.6750 7.8010 7.8010 8.4044 8.4044 8.4754 8.4754 8.4958 8.4958 8.6634 8.6634 8.8494 8.8494 8.9483 8.9483 9.9303 9.9303 10.1675 10.1675 10.5503 10.5503 10.5862 10.5862 10.9566 10.9566 11.1100 11.1100 14.5094 14.5094 17.0716 17.0716 17.2006 17.2006 17.3045 17.3045 17.3726 17.3726 18.1587 18.1587 k = 0.0000 0.0000 0.6612 ( 4844 PWs) bands (ev): -13.7121 -13.7121 -13.6008 -13.6008 -6.6136 -6.6136 -6.0831 -6.0831 -5.7993 -5.7993 -5.2567 -5.2567 -5.1793 -5.1793 -4.7869 -4.7869 -0.2024 -0.2024 -0.1782 -0.1782 1.4728 1.4728 1.5993 1.5993 1.7893 1.7893 1.8815 1.8815 6.2527 6.2527 6.3750 6.3750 6.5782 6.5782 6.7071 6.7071 7.6628 7.6628 7.7922 7.7922 8.3966 8.3966 8.4668 8.4668 8.4877 8.4877 8.6562 8.6562 8.8398 8.8398 8.9348 8.9348 9.9285 9.9285 10.1668 10.1668 10.5856 10.5856 10.5981 10.5981 10.9558 10.9558 11.1100 11.1100 14.5146 14.5146 17.0959 17.0959 17.2273 17.2273 17.2961 17.2961 17.3635 17.3635 18.1887 18.1887 k = 0.0000 0.0000 0.6786 ( 4844 PWs) bands (ev): -13.7107 -13.7107 -13.6016 -13.6016 -6.6179 -6.6179 -6.0905 -6.0905 -5.7986 -5.7986 -5.2572 -5.2572 -5.1811 -5.1811 -4.7783 -4.7783 -0.1945 -0.1945 -0.1768 -0.1768 1.4821 1.4821 1.6007 1.6007 1.8042 1.8042 1.8840 1.8840 6.2331 6.2331 6.3748 6.3748 6.5544 6.5544 6.7066 6.7066 7.6540 7.6540 7.7860 7.7860 8.3911 8.3911 8.4605 8.4605 8.4821 8.4821 8.6510 8.6510 8.8329 8.8329 8.9251 8.9251 9.9273 9.9273 10.1664 10.1664 10.5853 10.5853 10.6325 10.6325 10.9553 10.9553 11.1102 11.1102 14.5183 14.5183 17.1129 17.1129 17.2461 17.2461 17.2903 17.2903 17.3570 17.3570 18.2103 18.2103 k = 0.0000 0.0000 0.6960 ( 4844 PWs) bands (ev): -13.7098 -13.7098 -13.6020 -13.6020 -6.6204 -6.6204 -6.0949 -6.0949 -5.7981 -5.7981 -5.2576 -5.2576 -5.1822 -5.1822 -4.7731 -4.7731 -0.1897 -0.1897 -0.1761 -0.1761 1.4877 1.4877 1.6015 1.6015 1.8132 1.8132 1.8854 1.8854 6.2212 6.2212 6.3747 6.3747 6.5400 6.5400 6.7064 6.7064 7.6486 7.6486 7.7822 7.7822 8.3878 8.3878 8.4568 8.4568 8.4787 8.4787 8.6479 8.6479 8.8288 8.8288 8.9193 8.9193 9.9266 9.9266 10.1661 10.1661 10.5851 10.5851 10.6532 10.6532 10.9550 10.9550 11.1103 11.1103 14.5206 14.5206 17.1229 17.1229 17.2571 17.2571 17.2871 17.2871 17.3531 17.3531 18.2233 18.2257 k = 0.0000 0.0000 0.7134 ( 4856 PWs) bands (ev): -13.7095 -13.7095 -13.6021 -13.6021 -6.6213 -6.6213 -6.0964 -6.0964 -5.7980 -5.7980 -5.2577 -5.2577 -5.1825 -5.1825 -4.7714 -4.7714 -0.1880 -0.1880 -0.1759 -0.1759 1.4895 1.4895 1.6018 1.6018 1.8163 1.8163 1.8859 1.8859 6.2172 6.2172 6.3747 6.3747 6.5352 6.5352 6.7063 6.7063 7.6468 7.6468 7.7810 7.7810 8.3867 8.3867 8.4555 8.4555 8.4775 8.4775 8.6469 8.6469 8.8274 8.8274 8.9173 8.9173 9.9264 9.9264 10.1661 10.1661 10.5850 10.5850 10.6601 10.6601 10.9549 10.9549 11.1104 11.1104 14.5213 14.5213 17.1262 17.1262 17.2606 17.2606 17.2862 17.2862 17.3518 17.3518 18.2276 18.2277 k = 0.0000 0.0000 0.7134 ( 4856 PWs) bands (ev): -13.7095 -13.7095 -13.6021 -13.6021 -6.6213 -6.6213 -6.0964 -6.0964 -5.7980 -5.7980 -5.2577 -5.2577 -5.1825 -5.1825 -4.7714 -4.7714 -0.1880 -0.1880 -0.1759 -0.1759 1.4895 1.4895 1.6018 1.6018 1.8163 1.8163 1.8859 1.8859 6.2172 6.2172 6.3747 6.3747 6.5352 6.5352 6.7063 6.7063 7.6468 7.6468 7.7810 7.7810 8.3867 8.3867 8.4555 8.4555 8.4775 8.4775 8.6469 8.6469 8.8274 8.8274 8.9173 8.9173 9.9264 9.9264 10.1661 10.1661 10.5850 10.5850 10.6601 10.6601 10.9549 10.9549 11.1104 11.1104 14.5213 14.5213 17.1262 17.1262 17.2606 17.2606 17.2862 17.2862 17.3518 17.3518 18.2276 18.2277 k =-0.0121 0.0123 0.7134 ( 4852 PWs) bands (ev): -13.7094 -13.7094 -13.6023 -13.6023 -6.6202 -6.6202 -6.0971 -6.0971 -5.7974 -5.7974 -5.2587 -5.2587 -5.1820 -5.1820 -4.7721 -4.7721 -0.1886 -0.1886 -0.1755 -0.1755 1.4896 1.4896 1.6019 1.6019 1.8160 1.8160 1.8850 1.8850 6.2192 6.2192 6.3778 6.3778 6.5351 6.5351 6.7082 6.7082 7.6483 7.6483 7.7818 7.7818 8.3857 8.3857 8.4504 8.4504 8.4756 8.4756 8.6371 8.6371 8.8081 8.8081 8.9535 8.9535 9.9252 9.9252 10.1652 10.1652 10.5845 10.5845 10.6601 10.6601 10.9521 10.9521 11.1053 11.1053 14.5261 14.5261 17.1257 17.1257 17.2602 17.2602 17.2843 17.2843 17.3514 17.3514 18.2307 18.2308 k =-0.0241 0.0246 0.7134 ( 4840 PWs) bands (ev): -13.7089 -13.7089 -13.6028 -13.6028 -6.6170 -6.6170 -6.0990 -6.0990 -5.7958 -5.7958 -5.2619 -5.2619 -5.1803 -5.1803 -4.7742 -4.7742 -0.1902 -0.1902 -0.1745 -0.1745 1.4900 1.4900 1.6021 1.6021 1.8151 1.8151 1.8825 1.8825 6.2252 6.2252 6.3867 6.3867 6.5348 6.5348 6.7140 6.7140 7.6530 7.6530 7.7842 7.7842 8.3823 8.3823 8.4269 8.4269 8.4748 8.4748 8.6175 8.6175 8.7830 8.7830 9.0229 9.0229 9.9216 9.9216 10.1627 10.1627 10.5829 10.5829 10.6598 10.6598 10.9431 10.9431 11.0907 11.0907 14.5402 14.5402 17.1242 17.1242 17.2587 17.2587 17.2787 17.2787 17.3503 17.3503 18.2396 18.2400 k =-0.0362 0.0368 0.7134 ( 4838 PWs) bands (ev): -13.7082 -13.7082 -13.6036 -13.6036 -6.6117 -6.6117 -6.1024 -6.1024 -5.7930 -5.7930 -5.2672 -5.2672 -5.1776 -5.1776 -4.7776 -4.7776 -0.1924 -0.1924 -0.1733 -0.1733 1.4906 1.4906 1.6025 1.6025 1.8135 1.8135 1.8784 1.8784 6.2351 6.2351 6.4008 6.4008 6.5344 6.5344 6.7245 6.7245 7.6608 7.6608 7.7882 7.7882 8.3677 8.3677 8.3865 8.3865 8.4781 8.4781 8.6054 8.6054 8.7630 8.7630 9.1016 9.1016 9.9157 9.9157 10.1586 10.1586 10.5802 10.5802 10.6593 10.6593 10.9271 10.9271 11.0683 11.0683 14.5637 14.5637 17.1217 17.1217 17.2553 17.2553 17.2701 17.2701 17.3487 17.3487 18.2545 18.2612 k =-0.0483 0.0491 0.7134 ( 4836 PWs) bands (ev): -13.7072 -13.7072 -13.6048 -13.6048 -6.6044 -6.6044 -6.1070 -6.1070 -5.7891 -5.7891 -5.2746 -5.2746 -5.1739 -5.1739 -4.7823 -4.7823 -0.1950 -0.1950 -0.1720 -0.1720 1.4914 1.4914 1.6031 1.6031 1.8114 1.8114 1.8727 1.8727 6.2490 6.2490 6.4190 6.4190 6.5338 6.5338 6.7404 6.7404 7.6717 7.6717 7.7939 7.7939 8.3039 8.3039 8.3732 8.3732 8.4844 8.4844 8.6056 8.6056 8.7444 8.7444 9.1836 9.1836 9.9075 9.9075 10.1531 10.1531 10.5764 10.5764 10.6580 10.6580 10.9020 10.9020 11.0412 11.0412 14.5961 14.5961 17.1182 17.1182 17.2456 17.2456 17.2625 17.2625 17.3470 17.3470 18.2879 18.3590 k =-0.0603 0.0614 0.7134 ( 4828 PWs) bands (ev): -13.7059 -13.7059 -13.6062 -13.6062 -6.5950 -6.5950 -6.1130 -6.1130 -5.7841 -5.7841 -5.2839 -5.2839 -5.1690 -5.1690 -4.7882 -4.7882 -0.1979 -0.1979 -0.1708 -0.1708 1.4925 1.4925 1.6039 1.6039 1.8086 1.8086 1.8656 1.8656 6.2668 6.2668 6.4397 6.4397 6.5330 6.5330 6.7632 6.7632 7.6856 7.6856 7.8012 7.8012 8.2233 8.2233 8.3625 8.3625 8.4930 8.4930 8.6152 8.6152 8.7247 8.7247 9.2661 9.2661 9.8968 9.8968 10.1465 10.1465 10.5714 10.5714 10.6550 10.6550 10.8662 10.8662 11.0131 11.0131 14.6372 14.6372 17.1135 17.1135 17.2266 17.2266 17.2590 17.2590 17.3453 17.3453 18.3364 18.3391 k =-0.0724 0.0737 0.7134 ( 4836 PWs) bands (ev): -13.7043 -13.7043 -13.6080 -13.6080 -6.5838 -6.5838 -6.1203 -6.1203 -5.7779 -5.7779 -5.2953 -5.2953 -5.1632 -5.1632 -4.7953 -4.7953 -0.2010 -0.2010 -0.1698 -0.1698 1.4939 1.4939 1.6047 1.6047 1.8052 1.8052 1.8572 1.8572 6.2885 6.2885 6.4612 6.4612 6.5321 6.5321 6.7944 6.7944 7.7024 7.7024 7.8101 7.8101 8.1366 8.1366 8.3495 8.3495 8.5031 8.5031 8.6314 8.6314 8.7030 8.7030 9.3479 9.3479 9.8837 9.8837 10.1389 10.1389 10.5652 10.5652 10.6480 10.6480 10.8208 10.8208 10.9868 10.9868 14.6865 14.6865 17.1075 17.1075 17.2006 17.2006 17.2573 17.2573 17.3437 17.3437 18.3117 18.3117 k =-0.0845 0.0860 0.7134 ( 4832 PWs) bands (ev): -13.7025 -13.7025 -13.6101 -13.6101 -6.5706 -6.5706 -6.1289 -6.1289 -5.7706 -5.7706 -5.3084 -5.3084 -5.1563 -5.1563 -4.8034 -4.8034 -0.2042 -0.2042 -0.1689 -0.1689 1.4955 1.4955 1.6058 1.6058 1.8011 1.8011 1.8478 1.8478 6.3140 6.3140 6.4817 6.4817 6.5311 6.5311 6.8353 6.8353 7.7220 7.7220 7.8207 7.8207 8.0466 8.0466 8.3339 8.3339 8.5139 8.5139 8.6524 8.6524 8.6793 8.6793 9.4278 9.4278 9.8682 9.8682 10.1309 10.1309 10.5577 10.5577 10.6307 10.6307 10.7732 10.7732 10.9626 10.9626 14.7435 14.7435 17.0998 17.0998 17.1690 17.1690 17.2566 17.2566 17.3423 17.3423 18.2807 18.2807 k =-0.0965 0.0983 0.7134 ( 4840 PWs) bands (ev): -13.7004 -13.7004 -13.6124 -13.6124 -6.5557 -6.5557 -6.1388 -6.1388 -5.7621 -5.7621 -5.3234 -5.3234 -5.1485 -5.1485 -4.8124 -4.8124 -0.2075 -0.2075 -0.1682 -0.1682 1.4975 1.4975 1.6069 1.6069 1.7960 1.7960 1.8378 1.8378 6.3433 6.3433 6.5000 6.5000 6.5300 6.5300 6.8868 6.8868 7.7445 7.7445 7.8329 7.8329 7.9552 7.9552 8.3160 8.3160 8.5244 8.5244 8.6525 8.6525 8.6787 8.6787 9.5050 9.5050 9.8503 9.8503 10.1230 10.1230 10.5488 10.5488 10.5914 10.5914 10.7375 10.7375 10.9400 10.9400 14.8077 14.8077 17.0883 17.0883 17.1338 17.1338 17.2571 17.2571 17.3409 17.3409 18.2469 18.2469 k =-0.1086 0.1105 0.7134 ( 4854 PWs) bands (ev): -13.6980 -13.6980 -13.6150 -13.6150 -6.5391 -6.5391 -6.1500 -6.1500 -5.7525 -5.7525 -5.3400 -5.3400 -5.1399 -5.1399 -4.8223 -4.8223 -0.2109 -0.2109 -0.1677 -0.1677 1.4998 1.4998 1.6081 1.6081 1.7896 1.7896 1.8278 1.8278 6.3763 6.3763 6.5155 6.5155 6.5289 6.5289 6.9489 6.9489 7.7695 7.7695 7.8467 7.8467 7.8632 7.8632 8.2958 8.2958 8.5325 8.5325 8.6257 8.6257 8.7076 8.7076 9.5786 9.5786 9.8299 9.8299 10.1160 10.1160 10.5261 10.5261 10.5385 10.5385 10.7203 10.7203 10.9182 10.9182 14.8786 14.8786 17.0643 17.0643 17.1038 17.1038 17.2591 17.2591 17.3398 17.3398 18.2110 18.2110 k =-0.1207 0.1228 0.7134 ( 4854 PWs) bands (ev): -13.6955 -13.6955 -13.6179 -13.6179 -6.5210 -6.5210 -6.1625 -6.1625 -5.7417 -5.7417 -5.3580 -5.3580 -5.1303 -5.1303 -4.8328 -4.8328 -0.2144 -0.2144 -0.1674 -0.1674 1.5023 1.5023 1.6094 1.6094 1.7815 1.7815 1.8186 1.8186 6.4129 6.4129 6.5262 6.5262 6.5301 6.5301 7.0210 7.0210 7.7711 7.7711 7.7971 7.7971 7.8623 7.8623 8.2735 8.2735 8.5346 8.5346 8.6008 8.6008 8.7398 8.7398 9.6474 9.6474 9.8070 9.8070 10.1111 10.1111 10.4449 10.4449 10.5264 10.5264 10.7145 10.7145 10.8970 10.8970 14.9555 14.9555 17.0200 17.0200 17.0868 17.0868 17.2629 17.2629 17.3388 17.3388 18.1737 18.1737 k =-0.1327 0.1351 0.7134 ( 4860 PWs) bands (ev): -13.6927 -13.6927 -13.6210 -13.6210 -6.5015 -6.5015 -6.1763 -6.1763 -5.7297 -5.7297 -5.3773 -5.3773 -5.1200 -5.1200 -4.8441 -4.8441 -0.2179 -0.2179 -0.1673 -0.1673 1.5051 1.5051 1.6106 1.6106 1.7712 1.7712 1.8108 1.8108 6.4531 6.4531 6.5259 6.5259 6.5402 6.5402 7.1022 7.1022 7.6796 7.6796 7.8271 7.8271 7.8792 7.8792 8.2493 8.2493 8.5229 8.5229 8.5843 8.5843 8.7748 8.7748 9.7100 9.7100 9.7819 9.7819 10.1096 10.1096 10.3561 10.3561 10.5128 10.5128 10.7138 10.7138 10.8761 10.8761 15.0378 15.0378 16.9640 16.9640 17.0743 17.0743 17.2688 17.2688 17.3379 17.3379 18.1356 18.1356 k =-0.1448 0.1474 0.7134 ( 4848 PWs) bands (ev): -13.6897 -13.6897 -13.6243 -13.6243 -6.4808 -6.4808 -6.1913 -6.1913 -5.7164 -5.7164 -5.3977 -5.3977 -5.1089 -5.1089 -4.8558 -4.8558 -0.2215 -0.2215 -0.1673 -0.1673 1.5081 1.5081 1.6117 1.6117 1.7589 1.7589 1.8047 1.8047 6.4964 6.4964 6.5248 6.5248 6.5496 6.5496 7.1912 7.1912 7.5890 7.5890 7.8592 7.8592 7.8977 7.8977 8.2235 8.2235 8.4960 8.4960 8.5766 8.5766 8.8121 8.8121 9.7525 9.7525 9.7665 9.7665 10.1135 10.1135 10.2652 10.2652 10.4973 10.4973 10.7160 10.7160 10.8555 10.8555 15.1249 15.1249 16.9007 16.9007 17.0623 17.0623 17.2770 17.2770 17.3373 17.3373 18.0975 18.0975 k =-0.1569 0.1597 0.7134 ( 4842 PWs) bands (ev): -13.6865 -13.6865 -13.6278 -13.6278 -6.4590 -6.4590 -6.2075 -6.2075 -5.7019 -5.7019 -5.4190 -5.4190 -5.0971 -5.0971 -4.8680 -4.8680 -0.2251 -0.2251 -0.1675 -0.1675 1.5113 1.5113 1.6126 1.6126 1.7452 1.7452 1.8002 1.8002 6.5228 6.5228 6.5424 6.5424 6.5595 6.5595 7.2871 7.2871 7.4995 7.4995 7.8934 7.8934 7.9175 7.9175 8.1962 8.1962 8.4611 8.4611 8.5692 8.5692 8.8513 8.8513 9.7237 9.7237 9.8101 9.8101 10.1242 10.1242 10.1766 10.1766 10.4798 10.4798 10.7198 10.7198 10.8354 10.8354 15.2162 15.2162 16.8312 16.8312 17.0499 17.0499 17.2878 17.2878 17.3368 17.3368 18.0599 18.0599 k =-0.1689 0.1719 0.7134 ( 4850 PWs) bands (ev): -13.6832 -13.6832 -13.6315 -13.6315 -6.4363 -6.4363 -6.2249 -6.2249 -5.6862 -5.6862 -5.4410 -5.4410 -5.0848 -5.0848 -4.8806 -4.8806 -0.2288 -0.2288 -0.1677 -0.1677 1.5144 1.5144 1.6131 1.6131 1.7308 1.7308 1.7969 1.7969 6.5217 6.5217 6.5622 6.5622 6.5969 6.5969 7.3886 7.3886 7.4113 7.4113 7.9295 7.9295 7.9384 7.9384 8.1676 8.1676 8.4223 8.4223 8.5562 8.5562 8.8920 8.8920 9.6915 9.6915 9.8435 9.8435 10.0883 10.0883 10.1490 10.1490 10.4603 10.4603 10.7248 10.7248 10.8160 10.8160 15.3110 15.3110 16.7561 16.7561 17.0369 17.0369 17.3013 17.3013 17.3367 17.3367 18.0233 18.0233 k =-0.1810 0.1842 0.7134 ( 4850 PWs) bands (ev): -13.6797 -13.6797 -13.6354 -13.6354 -6.4129 -6.4129 -6.2434 -6.2434 -5.6693 -5.6693 -5.4635 -5.4635 -5.0719 -5.0719 -4.8935 -4.8935 -0.2325 -0.2325 -0.1680 -0.1680 1.5175 1.5175 1.6129 1.6129 1.7163 1.7163 1.7948 1.7948 6.5203 6.5203 6.5692 6.5692 6.6500 6.6500 7.3247 7.3247 7.4944 7.4944 7.9603 7.9603 7.9671 7.9671 8.1381 8.1381 8.3811 8.3811 8.5347 8.5347 8.9339 8.9339 9.6572 9.6572 9.8659 9.8659 10.0126 10.0126 10.1782 10.1782 10.4387 10.4387 10.7306 10.7306 10.7974 10.7974 15.4089 15.4089 16.6760 16.6760 17.0235 17.0235 17.3176 17.3176 17.3369 17.3369 17.9881 17.9881 k =-0.1931 0.1965 0.7134 ( 4840 PWs) bands (ev): -13.6760 -13.6760 -13.6393 -13.6393 -6.3890 -6.3890 -6.2629 -6.2629 -5.6511 -5.6511 -5.4862 -5.4862 -5.0586 -5.0586 -4.9065 -4.9065 -0.2362 -0.2362 -0.1684 -0.1684 1.5203 1.5203 1.6118 1.6118 1.7026 1.7026 1.7938 1.7938 6.5188 6.5188 6.5752 6.5752 6.7069 6.7069 7.2399 7.2399 7.6033 7.6033 7.9828 7.9828 8.0058 8.0058 8.1082 8.1082 8.3384 8.3384 8.5025 8.5025 8.9768 8.9768 9.6209 9.6209 9.8780 9.8780 9.9491 9.9491 10.2150 10.2150 10.4150 10.4150 10.7367 10.7367 10.7802 10.7802 15.5090 15.5090 16.5913 16.5913 17.0096 17.0096 17.3363 17.3363 17.3382 17.3382 17.9548 17.9548 k =-0.2051 0.2088 0.7134 ( 4840 PWs) bands (ev): -13.6723 -13.6723 -13.6434 -13.6434 -6.3647 -6.3647 -6.2834 -6.2834 -5.6316 -5.6316 -5.5090 -5.5090 -5.0449 -5.0449 -4.9198 -4.9198 -0.2400 -0.2400 -0.1688 -0.1688 1.5226 1.5226 1.6093 1.6093 1.6903 1.6903 1.7940 1.7940 6.5173 6.5173 6.5808 6.5808 6.7669 6.7669 7.1570 7.1570 7.7139 7.7139 8.0052 8.0052 8.0425 8.0425 8.0810 8.0810 8.2946 8.2946 8.4589 8.4589 9.0204 9.0204 9.5829 9.5829 9.8695 9.8695 9.9139 9.9139 10.2555 10.2555 10.3892 10.3892 10.7405 10.7405 10.7671 10.7671 15.6108 15.6108 16.5026 16.5026 16.9956 16.9956 17.3385 17.3385 17.3593 17.3593 17.9235 17.9235 k =-0.2172 0.2211 0.7134 ( 4836 PWs) bands (ev): -13.6685 -13.6685 -13.6476 -13.6476 -6.3406 -6.3406 -6.3046 -6.3046 -5.6110 -5.6110 -5.5316 -5.5316 -5.0309 -5.0309 -4.9331 -4.9331 -0.2438 -0.2438 -0.1692 -0.1692 1.5238 1.5238 1.6053 1.6053 1.6802 1.6802 1.7954 1.7954 6.5158 6.5158 6.5862 6.5862 6.8300 6.8300 7.0762 7.0762 7.8242 7.8242 8.0264 8.0264 8.0395 8.0395 8.0944 8.0944 8.2501 8.2501 8.4045 8.4045 9.0649 9.0649 9.5434 9.5434 9.8373 9.8373 9.9142 9.9142 10.2956 10.2956 10.3631 10.3631 10.7349 10.7349 10.7653 10.7653 15.7137 15.7137 16.4104 16.4104 16.9816 16.9816 17.3402 17.3402 17.3843 17.3843 17.8945 17.8945 k =-0.2293 0.2333 0.7134 ( 4840 PWs) bands (ev): -13.6645 -13.6645 -13.6518 -13.6518 -6.3286 -6.3286 -6.3144 -6.3144 -5.5892 -5.5892 -5.5540 -5.5540 -5.0167 -5.0167 -4.9464 -4.9464 -0.2477 -0.2477 -0.1696 -0.1696 1.5235 1.5235 1.6001 1.6001 1.6728 1.6728 1.7981 1.7981 6.5141 6.5141 6.5914 6.5914 6.8958 6.8958 6.9978 6.9978 7.9318 7.9318 8.0090 8.0090 8.0452 8.0452 8.1345 8.1345 8.2059 8.2059 8.3427 8.3427 9.1104 9.1104 9.5028 9.5028 9.8102 9.8102 9.9233 9.9233 10.3135 10.3135 10.3565 10.3565 10.7218 10.7218 10.7727 10.7727 15.8169 15.8169 16.3153 16.3153 16.9680 16.9680 17.3427 17.3427 17.4122 17.4122 17.8679 17.8679 k =-0.2413 0.2456 0.7134 ( 4850 PWs) bands (ev): -13.6606 -13.6606 -13.6560 -13.6560 -6.3505 -6.3505 -6.2912 -6.2912 -5.5762 -5.5762 -5.5660 -5.5660 -5.0025 -5.0025 -4.9597 -4.9597 -0.2516 -0.2516 -0.1699 -0.1699 1.5209 1.5209 1.5944 1.5944 1.6680 1.6680 1.8020 1.8020 6.5123 6.5123 6.5966 6.5966 6.9212 6.9212 6.9650 6.9650 7.9771 7.9771 8.0244 8.0244 8.0628 8.0628 8.1543 8.1543 8.1850 8.1850 8.2819 8.2819 9.1572 9.1572 9.4613 9.4613 9.7939 9.7939 9.9363 9.9363 10.2868 10.2868 10.3909 10.3909 10.7076 10.7076 10.7832 10.7832 15.9198 15.9198 16.2179 16.2179 16.9549 16.9549 17.3460 17.3460 17.4427 17.4427 17.8437 17.8437 k =-0.2413 0.2456 0.7134 ( 4850 PWs) bands (ev): -13.6606 -13.6606 -13.6560 -13.6560 -6.3505 -6.3505 -6.2912 -6.2912 -5.5762 -5.5762 -5.5660 -5.5660 -5.0025 -5.0025 -4.9597 -4.9597 -0.2516 -0.2516 -0.1699 -0.1699 1.5209 1.5209 1.5944 1.5944 1.6680 1.6680 1.8020 1.8020 6.5123 6.5123 6.5966 6.5966 6.9212 6.9212 6.9650 6.9650 7.9771 7.9771 8.0244 8.0244 8.0628 8.0628 8.1543 8.1543 8.1850 8.1850 8.2819 8.2819 9.1572 9.1572 9.4613 9.4613 9.7939 9.7939 9.9363 9.9363 10.2868 10.2868 10.3909 10.3909 10.7076 10.7076 10.7832 10.7832 15.9198 15.9198 16.2179 16.2179 16.9549 16.9549 17.3460 17.3460 17.4427 17.4427 17.8437 17.8437 k =-0.2500 0.2544 0.7011 ( 4848 PWs) bands (ev): -13.6590 -13.6590 -13.6579 -13.6579 -6.3664 -6.3664 -6.2741 -6.2741 -5.5911 -5.5911 -5.5492 -5.5492 -4.9924 -4.9924 -4.9699 -4.9699 -0.2545 -0.2545 -0.1706 -0.1706 1.5168 1.5168 1.5901 1.5901 1.6661 1.6661 1.8054 1.8054 6.5132 6.5132 6.6002 6.6002 6.8696 6.8696 7.0153 7.0153 7.9544 7.9544 8.0316 8.0316 8.1138 8.1138 8.1278 8.1278 8.2135 8.2135 8.2498 8.2498 9.1916 9.1916 9.4330 9.4330 9.7885 9.7885 9.9481 9.9481 10.2613 10.2613 10.4187 10.4187 10.6977 10.6977 10.7888 10.7888 15.9923 15.9923 16.1487 16.1487 16.9456 16.9456 17.3493 17.3493 17.4635 17.4635 17.8266 17.8266 k =-0.2586 0.2632 0.6888 ( 4850 PWs) bands (ev): -13.6618 -13.6618 -13.6554 -13.6554 -6.3814 -6.3814 -6.2568 -6.2568 -5.6053 -5.6053 -5.5318 -5.5318 -4.9852 -4.9852 -4.9791 -4.9791 -0.2577 -0.2577 -0.1721 -0.1721 1.5103 1.5103 1.5853 1.5853 1.6655 1.6655 1.8094 1.8094 6.5186 6.5186 6.6036 6.6036 6.8213 6.8213 7.0666 7.0666 7.9321 7.9321 8.0033 8.0033 8.1002 8.1002 8.1715 8.1715 8.2303 8.2303 8.2547 8.2547 9.2262 9.2262 9.4081 9.4081 9.7876 9.7876 9.9621 9.9621 10.2332 10.2332 10.4457 10.4457 10.6883 10.6883 10.7891 10.7891 16.0599 16.0599 16.0849 16.0849 16.9358 16.9358 17.3539 17.3539 17.4807 17.4807 17.8079 17.8079 k =-0.2672 0.2720 0.6765 ( 4837 PWs) bands (ev): -13.6644 -13.6644 -13.6530 -13.6530 -6.3953 -6.3953 -6.2397 -6.2397 -5.6186 -5.6186 -5.5138 -5.5138 -4.9967 -4.9967 -4.9715 -4.9715 -0.2611 -0.2611 -0.1743 -0.1743 1.5022 1.5022 1.5800 1.5800 1.6658 1.6658 1.8137 1.8137 6.5283 6.5283 6.6068 6.6068 6.7768 6.7768 7.1179 7.1179 7.9092 7.9092 7.9565 7.9565 8.0743 8.0743 8.2029 8.2029 8.2528 8.2528 8.2928 8.2928 9.2604 9.2604 9.3882 9.3882 9.7906 9.7906 9.9784 9.9784 10.2028 10.2028 10.4706 10.4706 10.6795 10.6795 10.7847 10.7847 16.0146 16.0146 16.1348 16.1348 16.9259 16.9259 17.3596 17.3596 17.4943 17.4943 17.7877 17.7877 k =-0.2758 0.2807 0.6642 ( 4838 PWs) bands (ev): -13.6669 -13.6669 -13.6509 -13.6509 -6.4082 -6.4082 -6.2230 -6.2230 -5.6310 -5.6310 -5.4954 -5.4954 -5.0119 -5.0119 -4.9620 -4.9620 -0.2645 -0.2645 -0.1770 -0.1770 1.4931 1.4931 1.5744 1.5744 1.6669 1.6669 1.8183 1.8183 6.5418 6.5418 6.6098 6.6098 6.7365 6.7365 7.1689 7.1689 7.8773 7.8773 7.9074 7.9074 8.0496 8.0496 8.2165 8.2165 8.2884 8.2884 8.3398 8.3398 9.2931 9.2931 9.3756 9.3756 9.7966 9.7966 9.9967 9.9967 10.1703 10.1703 10.4925 10.4925 10.6714 10.6714 10.7763 10.7763 15.9528 15.9528 16.2024 16.2024 16.9161 16.9161 17.3663 17.3663 17.5042 17.5042 17.7661 17.7661 k =-0.2844 0.2895 0.6519 ( 4840 PWs) bands (ev): -13.6692 -13.6692 -13.6490 -13.6490 -6.4200 -6.4200 -6.2069 -6.2069 -5.6424 -5.6424 -5.4765 -5.4765 -5.0288 -5.0288 -4.9529 -4.9529 -0.2679 -0.2679 -0.1803 -0.1803 1.4836 1.4836 1.5684 1.5684 1.6684 1.6684 1.8230 1.8230 6.5581 6.5581 6.6126 6.6126 6.7013 6.7013 7.2187 7.2187 7.8182 7.8182 7.8798 7.8798 8.0268 8.0268 8.2299 8.2299 8.3187 8.3187 8.3894 8.3894 9.3199 9.3199 9.3758 9.3758 9.8048 9.8048 10.0167 10.0167 10.1362 10.1362 10.5104 10.5104 10.6639 10.6639 10.7650 10.7650 15.8941 15.8941 16.2680 16.2680 16.9064 16.9064 17.3736 17.3736 17.5108 17.5108 17.7431 17.7431 k =-0.2931 0.2983 0.6396 ( 4842 PWs) bands (ev): -13.6713 -13.6713 -13.6473 -13.6473 -6.4306 -6.4306 -6.1916 -6.1916 -5.6527 -5.6527 -5.4571 -5.4571 -5.0470 -5.0470 -4.9442 -4.9442 -0.2713 -0.2713 -0.1838 -0.1838 1.4742 1.4742 1.5623 1.5623 1.6703 1.6703 1.8277 1.8277 6.5743 6.5743 6.6153 6.6153 6.6738 6.6738 7.2670 7.2670 7.7484 7.7484 7.8605 7.8605 8.0061 8.0061 8.2441 8.2441 8.3435 8.3435 8.4363 8.4363 9.3353 9.3353 9.3955 9.3955 9.8145 9.8145 10.0364 10.0364 10.1019 10.1019 10.5227 10.5227 10.6572 10.6572 10.7525 10.7525 15.8392 15.8392 16.3312 16.3312 16.8971 16.8971 17.3815 17.3815 17.5142 17.5142 17.7190 17.7190 k =-0.3017 0.3071 0.6273 ( 4852 PWs) bands (ev): -13.6731 -13.6731 -13.6458 -13.6458 -6.4402 -6.4402 -6.1773 -6.1773 -5.6619 -5.6619 -5.4372 -5.4372 -5.0664 -5.0664 -4.9362 -4.9362 -0.2746 -0.2746 -0.1875 -0.1875 1.4652 1.4652 1.5562 1.5562 1.6723 1.6723 1.8322 1.8322 6.5824 6.5824 6.6177 6.6177 6.6622 6.6622 7.3132 7.3132 7.6760 7.6760 7.8437 7.8437 7.9876 7.9876 8.2582 8.2582 8.3634 8.3634 8.4780 8.4780 9.3465 9.3465 9.4278 9.4278 9.8251 9.8251 10.0410 10.0410 10.0820 10.0820 10.5277 10.5277 10.6512 10.6512 10.7409 10.7409 15.7887 15.7887 16.3914 16.3914 16.8882 16.8882 17.3897 17.3897 17.5149 17.5149 17.6941 17.6941 k =-0.3103 0.3158 0.6150 ( 4848 PWs) bands (ev): -13.6748 -13.6748 -13.6445 -13.6445 -6.4487 -6.4487 -6.1642 -6.1642 -5.6699 -5.6699 -5.4168 -5.4168 -5.0868 -5.0868 -4.9288 -4.9288 -0.2776 -0.2776 -0.1911 -0.1911 1.4568 1.4568 1.5503 1.5503 1.6744 1.6744 1.8364 1.8364 6.5742 6.5742 6.6195 6.6195 6.6744 6.6744 7.3565 7.3565 7.6031 7.6031 7.8287 7.8287 7.9714 7.9714 8.2712 8.2712 8.3787 8.3787 8.5137 8.5137 9.3619 9.3619 9.4639 9.4639 9.8362 9.8362 10.0095 10.0095 10.0973 10.0973 10.5236 10.5236 10.6459 10.6459 10.7323 10.7323 15.7429 15.7429 16.4482 16.4482 16.8795 16.8795 17.3980 17.3980 17.5136 17.5136 17.6689 17.6689 k =-0.3189 0.3246 0.6027 ( 4854 PWs) bands (ev): -13.6763 -13.6763 -13.6434 -13.6434 -6.4560 -6.4560 -6.1525 -6.1525 -5.6769 -5.6769 -5.3958 -5.3958 -5.1081 -5.1081 -4.9223 -4.9223 -0.2804 -0.2804 -0.1947 -0.1947 1.4493 1.4493 1.5449 1.5449 1.6764 1.6764 1.8402 1.8402 6.5577 6.5577 6.6210 6.6210 6.7020 6.7020 7.3964 7.3964 7.5313 7.5313 7.8154 7.8154 7.9575 7.9575 8.2823 8.2823 8.3899 8.3899 8.5434 8.5434 9.3837 9.3837 9.5006 9.5006 9.8475 9.8475 9.9684 9.9684 10.1211 10.1211 10.5099 10.5099 10.6413 10.6413 10.7280 10.7280 15.7023 15.7023 16.5011 16.5011 16.8711 16.8711 17.4061 17.4061 17.5106 17.5106 17.6439 17.6439 k =-0.3276 0.3334 0.5904 ( 4856 PWs) bands (ev): -13.6776 -13.6776 -13.6424 -13.6424 -6.4622 -6.4622 -6.1423 -6.1423 -5.6827 -5.6827 -5.3745 -5.3745 -5.1300 -5.1300 -4.9166 -4.9166 -0.2828 -0.2828 -0.1979 -0.1979 1.4428 1.4428 1.5401 1.5401 1.6782 1.6782 1.8435 1.8435 6.5405 6.5405 6.6224 6.6224 6.7362 6.7362 7.4320 7.4320 7.4621 7.4621 7.8040 7.8040 7.9457 7.9457 8.2910 8.2910 8.3979 8.3979 8.5673 8.5673 9.4118 9.4118 9.5356 9.5356 9.8581 9.8581 9.9255 9.9255 10.1465 10.1465 10.4878 10.4878 10.6374 10.6374 10.7274 10.7274 15.6673 15.6673 16.5493 16.5493 16.8628 16.8628 17.4140 17.4140 17.5069 17.5069 17.6198 17.6198 k =-0.3362 0.3422 0.5781 ( 4852 PWs) bands (ev): -13.6786 -13.6786 -13.6416 -13.6416 -6.4673 -6.4673 -6.1338 -6.1338 -5.6875 -5.6875 -5.3530 -5.3530 -5.1523 -5.1523 -4.9118 -4.9118 -0.2849 -0.2849 -0.2007 -0.2007 1.4374 1.4374 1.5359 1.5359 1.6798 1.6798 1.8464 1.8464 6.5254 6.5254 6.6236 6.6236 6.7734 6.7734 7.3961 7.3961 7.4634 7.4634 7.7944 7.7944 7.9362 7.9362 8.2970 8.2970 8.4037 8.4037 8.5859 8.5859 9.4450 9.4450 9.5674 9.5674 9.8609 9.8609 9.8889 9.8889 10.1722 10.1722 10.4595 10.4595 10.6342 10.6342 10.7293 10.7293 15.6382 15.6382 16.5921 16.5921 16.8546 16.8546 17.4215 17.4215 17.5029 17.5029 17.5974 17.5974 k =-0.3448 0.3509 0.5658 ( 4850 PWs) bands (ev): -13.6794 -13.6794 -13.6410 -13.6410 -6.4713 -6.4713 -6.1271 -6.1271 -5.6911 -5.6911 -5.3315 -5.3315 -5.1744 -5.1744 -4.9081 -4.9081 -0.2866 -0.2866 -0.2031 -0.2031 1.4331 1.4331 1.5326 1.5326 1.6811 1.6811 1.8486 1.8486 6.5133 6.5133 6.6244 6.6244 6.8109 6.8109 7.3368 7.3368 7.4886 7.4886 7.7869 7.7869 7.9287 7.9287 8.3004 8.3004 8.4078 8.4078 8.5996 8.5996 9.4814 9.4814 9.5943 9.5943 9.8283 9.8283 9.8873 9.8873 10.1979 10.1979 10.4281 10.4281 10.6317 10.6317 10.7322 10.7322 15.6152 15.6152 16.6284 16.6284 16.8465 16.8465 17.4281 17.4281 17.4994 17.4994 17.5776 17.5776 k =-0.3534 0.3597 0.5535 ( 4852 PWs) bands (ev): -13.6800 -13.6800 -13.6406 -13.6406 -6.4741 -6.4741 -6.1222 -6.1222 -5.6937 -5.6937 -5.3109 -5.3109 -5.1956 -5.1956 -4.9054 -4.9054 -0.2878 -0.2878 -0.2048 -0.2048 1.4299 1.4299 1.5302 1.5302 1.6821 1.6821 1.8502 1.8502 6.5045 6.5045 6.6251 6.6251 6.8450 6.8450 7.2870 7.2870 7.5073 7.5073 7.7814 7.7814 7.9234 7.9234 8.3020 8.3020 8.4108 8.4108 8.6090 8.6090 9.5175 9.5175 9.6154 9.6154 9.7871 9.7871 9.8950 9.8950 10.2227 10.2227 10.3969 10.3969 10.6300 10.6300 10.7350 10.7350 15.5986 15.5986 16.6569 16.6569 16.8392 16.8392 17.4336 17.4336 17.4968 17.4968 17.5615 17.5615 k =-0.3620 0.3685 0.5412 ( 4850 PWs) bands (ev): -13.6803 -13.6803 -13.6403 -13.6403 -6.4758 -6.4758 -6.1193 -6.1193 -5.6952 -5.6952 -5.2933 -5.2933 -5.2136 -5.2136 -4.9037 -4.9037 -0.2886 -0.2886 -0.2058 -0.2058 1.4281 1.4281 1.5287 1.5287 1.6827 1.6827 1.8512 1.8512 6.4992 6.4992 6.6255 6.6255 6.8702 6.8702 7.2523 7.2523 7.5189 7.5189 7.7781 7.7781 7.9202 7.9202 8.3025 8.3025 8.4126 8.4126 8.6144 8.6144 9.5469 9.5469 9.6302 9.6302 9.7525 9.7525 9.9008 9.9008 10.2438 10.2438 10.3710 10.3710 10.6289 10.6289 10.7369 10.7369 15.5886 15.5886 16.6754 16.6754 16.8337 16.8337 17.4374 17.4374 17.4955 17.4955 17.5508 17.5508 k =-0.3707 0.3773 0.5289 ( 4848 PWs) bands (ev): -13.6804 -13.6804 -13.6402 -13.6402 -6.4764 -6.4764 -6.1183 -6.1183 -5.6957 -5.6957 -5.2853 -5.2853 -5.2218 -5.2218 -4.9032 -4.9032 -0.2888 -0.2888 -0.2062 -0.2062 1.4274 1.4274 1.5282 1.5282 1.6828 1.6828 1.8515 1.8515 6.4974 6.4974 6.6256 6.6256 6.8798 6.8798 7.2396 7.2396 7.5228 7.5228 7.7770 7.7770 7.9192 7.9192 8.3025 8.3025 8.4133 8.4133 8.6162 8.6162 9.5590 9.5590 9.6364 9.6364 9.7375 9.7375 9.9029 9.9029 10.2533 10.2533 10.3598 10.3598 10.6286 10.6286 10.7376 10.7376 15.5853 15.5853 16.6819 16.6819 16.8315 16.8315 17.4387 17.4387 17.4951 17.4951 17.5470 17.5470 k =-0.3707 0.3773 0.5289 ( 4848 PWs) bands (ev): -13.6804 -13.6804 -13.6402 -13.6402 -6.4764 -6.4764 -6.1183 -6.1183 -5.6957 -5.6957 -5.2853 -5.2853 -5.2218 -5.2218 -4.9032 -4.9032 -0.2888 -0.2888 -0.2062 -0.2062 1.4274 1.4274 1.5282 1.5282 1.6828 1.6828 1.8515 1.8515 6.4974 6.4974 6.6256 6.6256 6.8798 6.8798 7.2396 7.2396 7.5228 7.5228 7.7770 7.7770 7.9192 7.9192 8.3025 8.3025 8.4133 8.4133 8.6162 8.6162 9.5590 9.5590 9.6364 9.6364 9.7375 9.7375 9.9029 9.9029 10.2533 10.2533 10.3598 10.3598 10.6286 10.6286 10.7376 10.7376 15.5853 15.5853 16.6819 16.6819 16.8315 16.8315 17.4387 17.4387 17.4951 17.4951 17.5470 17.5470 k =-0.3620 0.3685 0.5166 ( 4852 PWs) bands (ev): -13.6761 -13.6761 -13.6451 -13.6451 -6.4460 -6.4460 -6.1285 -6.1285 -5.6797 -5.6797 -5.3027 -5.3027 -5.2355 -5.2355 -4.9137 -4.9137 -0.2895 -0.2895 -0.2141 -0.2141 1.4307 1.4307 1.5175 1.5175 1.6827 1.6827 1.8409 1.8409 6.5544 6.5544 6.6195 6.6195 6.9551 6.9551 7.3000 7.3000 7.4497 7.4497 7.8061 7.8061 7.9642 7.9642 8.2793 8.2793 8.4002 8.4002 8.6103 8.6103 9.5657 9.5657 9.6358 9.6358 9.7730 9.7730 9.8606 9.8606 10.2007 10.2007 10.2911 10.2911 10.6374 10.6374 10.7137 10.7137 15.6849 15.6849 16.6425 16.6425 16.7920 16.7920 17.4079 17.4079 17.4375 17.4375 17.5353 17.5353 k =-0.3534 0.3597 0.5043 ( 4852 PWs) bands (ev): -13.6715 -13.6715 -13.6503 -13.6503 -6.4139 -6.4139 -6.1382 -6.1382 -5.6628 -5.6628 -5.3210 -5.3210 -5.2501 -5.2501 -4.9242 -4.9242 -0.2914 -0.2914 -0.2222 -0.2222 1.4295 1.4295 1.5079 1.5079 1.6837 1.6837 1.8297 1.8297 6.6130 6.6130 6.6148 6.6148 7.0339 7.0339 7.3627 7.3627 7.3816 7.3816 7.8370 7.8370 8.0110 8.0110 8.2567 8.2567 8.3882 8.3882 8.6004 8.6004 9.5266 9.5266 9.6796 9.6796 9.8029 9.8029 9.8150 9.8150 10.1515 10.1515 10.2265 10.2265 10.6468 10.6468 10.6911 10.6911 15.7864 15.7864 16.5988 16.5988 16.7475 16.7475 17.3382 17.3382 17.4169 17.4169 17.5296 17.5296 k =-0.3448 0.3509 0.4920 ( 4846 PWs) bands (ev): -13.6668 -13.6668 -13.6558 -13.6558 -6.3803 -6.3803 -6.1474 -6.1474 -5.6451 -5.6451 -5.3399 -5.3399 -5.2657 -5.2657 -4.9346 -4.9346 -0.2951 -0.2951 -0.2303 -0.2303 1.4223 1.4223 1.5010 1.5010 1.6859 1.6859 1.8174 1.8174 6.6076 6.6076 6.6771 6.6771 7.1161 7.1161 7.3183 7.3183 7.4281 7.4281 7.8695 7.8695 8.0592 8.0592 8.2350 8.2350 8.3774 8.3774 8.5860 8.5860 9.4814 9.4814 9.7242 9.7242 9.7576 9.7576 9.8390 9.8390 10.1068 10.1068 10.1682 10.1682 10.6556 10.6556 10.6706 10.6706 15.8893 15.8893 16.5502 16.5502 16.6980 16.6980 17.2582 17.2582 17.4078 17.4078 17.5280 17.5280 k =-0.3362 0.3422 0.4797 ( 4842 PWs) bands (ev): -13.6618 -13.6618 -13.6616 -13.6616 -6.3452 -6.3452 -6.1559 -6.1559 -5.6268 -5.6268 -5.3594 -5.3594 -5.2821 -5.2821 -4.9447 -4.9447 -0.3012 -0.3012 -0.2376 -0.2376 1.4086 1.4086 1.4969 1.4969 1.6894 1.6894 1.8039 1.8039 6.6020 6.6020 6.7426 6.7426 7.2015 7.2015 7.2612 7.2612 7.4950 7.4950 7.9035 7.9035 8.1084 8.1084 8.2144 8.2144 8.3679 8.3679 8.5664 8.5664 9.4352 9.4352 9.6853 9.6853 9.7805 9.7805 9.8688 9.8688 10.0668 10.0668 10.1179 10.1179 10.6458 10.6458 10.6701 10.6701 15.9930 15.9930 16.4966 16.4966 16.6438 16.6438 17.1750 17.1750 17.4048 17.4048 17.5301 17.5301 k =-0.3276 0.3334 0.4674 ( 4844 PWs) bands (ev): -13.6676 -13.6676 -13.6567 -13.6567 -6.3086 -6.3086 -6.1637 -6.1637 -5.6079 -5.6079 -5.3795 -5.3795 -5.2993 -5.2993 -4.9545 -4.9545 -0.3103 -0.3103 -0.2437 -0.2437 1.3894 1.3894 1.4947 1.4947 1.6940 1.6940 1.7888 1.7888 6.5966 6.5966 6.8108 6.8108 7.2103 7.2103 7.2898 7.2898 7.5634 7.5634 7.9389 7.9389 8.1561 8.1561 8.1975 8.1975 8.3597 8.3597 8.5411 8.5411 9.3890 9.3890 9.6143 9.6143 9.8268 9.8268 9.8973 9.8973 10.0315 10.0315 10.0770 10.0770 10.6259 10.6259 10.6811 10.6811 16.0970 16.0970 16.4379 16.4379 16.5850 16.5850 17.0897 17.0897 17.4076 17.4076 17.5358 17.5358 k =-0.3189 0.3246 0.4551 ( 4852 PWs) bands (ev): -13.6739 -13.6739 -13.6515 -13.6515 -6.2708 -6.2708 -6.1707 -6.1707 -5.5885 -5.5885 -5.3999 -5.3999 -5.3172 -5.3172 -4.9638 -4.9638 -0.3224 -0.3224 -0.2484 -0.2484 1.3662 1.3662 1.4931 1.4931 1.6997 1.6997 1.7719 1.7719 6.5916 6.5916 6.8815 6.8815 7.1662 7.1662 7.3807 7.3807 7.6329 7.6329 7.9754 7.9754 8.1689 8.1689 8.2171 8.2171 8.3531 8.3531 8.5098 8.5098 9.3439 9.3439 9.5369 9.5369 9.8705 9.8705 9.9250 9.9250 10.0015 10.0015 10.0460 10.0460 10.6061 10.6061 10.6934 10.6934 16.2008 16.2008 16.3744 16.3744 16.5222 16.5222 17.0030 17.0030 17.4161 17.4161 17.5448 17.5448 k =-0.3103 0.3158 0.4428 ( 4846 PWs) bands (ev): -13.6805 -13.6805 -13.6462 -13.6462 -6.2318 -6.2318 -6.1768 -6.1768 -5.5687 -5.5687 -5.4207 -5.4207 -5.3354 -5.3354 -4.9727 -4.9727 -0.3374 -0.3374 -0.2519 -0.2519 1.3400 1.3400 1.4914 1.4914 1.7058 1.7058 1.7530 1.7530 6.5868 6.5868 6.9546 6.9546 7.1291 7.1291 7.4740 7.4740 7.7030 7.7030 8.0124 8.0124 8.1540 8.1540 8.2655 8.2655 8.3488 8.3488 8.4722 8.4722 9.3011 9.3011 9.4550 9.4550 9.9061 9.9061 9.9533 9.9533 9.9799 9.9799 10.0245 10.0245 10.5869 10.5869 10.7065 10.7065 16.2941 16.2941 16.3160 16.3160 16.4556 16.4556 16.9151 16.9151 17.4305 17.4305 17.5567 17.5567 k =-0.3017 0.3071 0.4305 ( 4846 PWs) bands (ev): -13.6873 -13.6873 -13.6407 -13.6407 -6.1926 -6.1926 -6.1809 -6.1809 -5.5490 -5.5490 -5.4417 -5.4417 -5.3538 -5.3538 -4.9810 -4.9810 -0.3548 -0.3548 -0.2547 -0.2547 1.3114 1.3114 1.4890 1.4890 1.7103 1.7103 1.7337 1.7337 6.5825 6.5825 7.0300 7.0300 7.0993 7.0993 7.5691 7.5691 7.7731 7.7731 8.0482 8.0482 8.1406 8.1406 8.3086 8.3086 8.3524 8.3524 8.4291 8.4291 9.2620 9.2620 9.3698 9.3698 9.9185 9.9185 9.9749 9.9749 9.9882 9.9882 10.0128 10.0128 10.5684 10.5684 10.7203 10.7203 16.2315 16.2315 16.3824 16.3824 16.4115 16.4115 16.8265 16.8265 17.4503 17.4503 17.5716 17.5716 k =-0.2931 0.2983 0.4182 ( 4846 PWs) bands (ev): -13.6943 -13.6943 -13.6352 -13.6352 -6.1869 -6.1869 -6.1497 -6.1497 -5.5299 -5.5299 -5.4628 -5.4628 -5.3717 -5.3717 -4.9886 -4.9886 -0.3743 -0.3743 -0.2571 -0.2571 1.2809 1.2809 1.4860 1.4860 1.7000 1.7000 1.7267 1.7267 6.5784 6.5784 7.0769 7.0769 7.1075 7.1075 7.6658 7.6658 7.8428 7.8428 8.0753 8.0753 8.1378 8.1378 8.3217 8.3217 8.3675 8.3675 8.3996 8.3996 9.2276 9.2276 9.2836 9.2836 9.9062 9.9062 9.9920 9.9920 10.0081 10.0081 10.0271 10.0271 10.5508 10.5508 10.7349 10.7349 16.1551 16.1551 16.3112 16.3112 16.5106 16.5106 16.7375 16.7375 17.4754 17.4754 17.5891 17.5891 k =-0.2845 0.2895 0.4059 ( 4840 PWs) bands (ev): -13.7015 -13.7015 -13.6295 -13.6295 -6.1899 -6.1899 -6.1078 -6.1078 -5.5124 -5.5124 -5.4838 -5.4838 -5.3881 -5.3881 -4.9955 -4.9955 -0.3955 -0.3955 -0.2593 -0.2593 1.2489 1.2489 1.4823 1.4823 1.6746 1.6746 1.7317 1.7317 6.5748 6.5748 7.0621 7.0621 7.1870 7.1870 7.7632 7.7632 7.9117 7.9117 8.0799 8.0799 8.1595 8.1595 8.3008 8.3008 8.3385 8.3385 8.4432 8.4432 9.1825 9.1825 9.2142 9.2142 9.8876 9.8876 10.0088 10.0088 10.0174 10.0174 10.0654 10.0654 10.5342 10.5342 10.7502 10.7502 16.0751 16.0751 16.2352 16.2352 16.6103 16.6103 16.6483 16.6483 17.5051 17.5051 17.6094 17.6094 k =-0.2758 0.2808 0.3936 ( 4842 PWs) bands (ev): -13.7089 -13.7089 -13.6239 -13.6239 -6.1920 -6.1920 -6.0651 -6.0651 -5.5059 -5.5059 -5.4978 -5.4978 -5.4004 -5.4004 -5.0016 -5.0016 -0.4182 -0.4182 -0.2615 -0.2615 1.2154 1.2154 1.4778 1.4778 1.6449 1.6449 1.7379 1.7379 6.5715 6.5715 7.0549 7.0549 7.2683 7.2683 7.8601 7.8601 7.9792 7.9792 8.0715 8.0715 8.1958 8.1958 8.2440 8.2440 8.3316 8.3316 8.4969 8.4969 9.0981 9.0981 9.1924 9.1924 9.8682 9.8682 10.0226 10.0226 10.0363 10.0363 10.1039 10.1039 10.5188 10.5188 10.7663 10.7663 15.9923 15.9923 16.1566 16.1566 16.5591 16.5591 16.7083 16.7083 17.5388 17.5388 17.6324 17.6324 k =-0.2672 0.2720 0.3813 ( 4838 PWs) bands (ev): -13.7165 -13.7165 -13.6181 -13.6181 -6.1931 -6.1931 -6.0218 -6.0218 -5.5259 -5.5259 -5.4933 -5.4933 -5.4044 -5.4044 -5.0070 -5.0070 -0.4423 -0.4423 -0.2639 -0.2639 1.1809 1.1809 1.4721 1.4721 1.6125 1.6125 1.7437 1.7437 6.5686 6.5686 7.0550 7.0550 7.3512 7.3512 7.9532 7.9532 8.0392 8.0392 8.0686 8.0686 8.1724 8.1724 8.2411 8.2411 8.3304 8.3304 8.5521 8.5521 9.0090 9.0090 9.1856 9.1856 9.8491 9.8491 10.0409 10.0409 10.0565 10.0565 10.1411 10.1411 10.5046 10.5046 10.7830 10.7830 15.9073 15.9073 16.0758 16.0758 16.4701 16.4701 16.8040 16.8040 17.5754 17.5754 17.6587 17.6587 k =-0.2586 0.2632 0.3690 ( 4834 PWs) bands (ev): -13.7242 -13.7242 -13.6124 -13.6124 -6.1932 -6.1932 -5.9784 -5.9784 -5.5459 -5.5459 -5.4994 -5.4994 -5.3970 -5.3970 -5.0115 -5.0115 -0.4675 -0.4675 -0.2664 -0.2664 1.1454 1.1454 1.4648 1.4648 1.5785 1.5785 1.7485 1.7485 6.5660 6.5660 7.0624 7.0624 7.4356 7.4356 8.0170 8.0170 8.0598 8.0598 8.1050 8.1050 8.1252 8.1252 8.2824 8.2824 8.3327 8.3327 8.6079 8.6079 8.9203 8.9203 9.1901 9.1901 9.8307 9.8307 10.0635 10.0635 10.0770 10.0770 10.1767 10.1767 10.4920 10.4920 10.8004 10.8004 15.8205 15.8205 15.9931 15.9931 16.3814 16.3814 16.8971 16.8971 17.6134 17.6134 17.6892 17.6892 k =-0.2500 0.2544 0.3567 ( 4842 PWs) bands (ev): -13.7321 -13.7321 -13.6066 -13.6066 -6.1923 -6.1923 -5.9353 -5.9353 -5.5650 -5.5650 -5.5135 -5.5135 -5.3816 -5.3816 -5.0151 -5.0151 -0.4938 -0.4938 -0.2692 -0.2692 1.1091 1.1091 1.4538 1.4538 1.5450 1.5450 1.7522 1.7522 6.5637 6.5637 7.0768 7.0768 7.5210 7.5210 7.9945 7.9945 8.0384 8.0384 8.1346 8.1346 8.2044 8.2044 8.3120 8.3120 8.3498 8.3498 8.6636 8.6636 8.8334 8.8334 9.2056 9.2056 9.8129 9.8129 10.0876 10.0876 10.1001 10.1001 10.2105 10.2105 10.4811 10.4811 10.8185 10.8185 15.7325 15.7325 15.9088 15.9088 16.2931 16.2931 16.9872 16.9872 17.6507 17.6507 17.7254 17.7254 k =-0.2414 0.2457 0.3444 ( 4836 PWs) bands (ev): -13.7400 -13.7400 -13.6009 -13.6009 -6.1903 -6.1903 -5.8931 -5.8931 -5.5825 -5.5825 -5.5316 -5.5316 -5.3620 -5.3620 -5.0178 -5.0178 -0.5210 -0.5210 -0.2722 -0.2722 1.0723 1.0723 1.4356 1.4356 1.5161 1.5161 1.7543 1.7543 6.5616 6.5616 7.0977 7.0977 7.6069 7.6069 7.9228 7.9228 8.0170 8.0170 8.1966 8.1966 8.2867 8.2867 8.3261 8.3261 8.3906 8.3906 8.7166 8.7166 8.7525 8.7525 9.2315 9.2315 9.7958 9.7958 10.1091 10.1091 10.1293 10.1293 10.2424 10.2424 10.4722 10.4722 10.8373 10.8373 15.6437 15.6437 15.8233 15.8233 16.2052 16.2052 17.0738 17.0738 17.6857 17.6857 17.7678 17.7678 k =-0.2327 0.2369 0.3321 ( 4820 PWs) bands (ev): -13.7480 -13.7480 -13.5952 -13.5952 -6.1874 -6.1874 -5.8529 -5.8529 -5.5974 -5.5974 -5.5515 -5.5515 -5.3404 -5.3404 -5.0195 -5.0195 -0.5490 -0.5490 -0.2756 -0.2756 1.0350 1.0350 1.4059 1.4059 1.4962 1.4962 1.7550 1.7550 6.5596 6.5596 7.1247 7.1247 7.6904 7.6904 7.8432 7.8432 8.0020 8.0020 8.2528 8.2528 8.3094 8.3094 8.3969 8.3969 8.4384 8.4384 8.6679 8.6679 8.7781 8.7781 9.2673 9.2673 9.7796 9.7796 10.1284 10.1284 10.1636 10.1636 10.2724 10.2724 10.4657 10.4657 10.8566 10.8566 15.5547 15.5547 15.7367 15.7367 16.1179 16.1179 17.1565 17.1565 17.6908 17.6908 17.7183 17.7183 k =-0.2241 0.2281 0.3198 ( 4820 PWs) bands (ev): -13.7561 -13.7561 -13.5895 -13.5895 -6.1836 -6.1836 -5.8169 -5.8169 -5.6077 -5.6077 -5.5721 -5.5721 -5.3179 -5.3179 -5.0203 -5.0203 -0.5777 -0.5777 -0.2793 -0.2793 0.9974 0.9974 1.3662 1.3662 1.4843 1.4843 1.7540 1.7540 6.5578 6.5578 7.1573 7.1573 7.7272 7.7272 7.8081 7.8081 7.9871 7.9871 8.2978 8.2978 8.3135 8.3135 8.4839 8.4839 8.4937 8.4937 8.5967 8.5967 8.8339 8.8339 9.3118 9.3118 9.7641 9.7641 10.1469 10.1469 10.2011 10.2011 10.3005 10.3005 10.4618 10.4618 10.8765 10.8765 15.4657 15.4657 15.6493 15.6493 16.0310 16.0310 17.2336 17.2336 17.5586 17.5586 17.7489 17.7489 k =-0.2155 0.2193 0.3075 ( 4828 PWs) bands (ev): -13.7642 -13.7642 -13.5839 -13.5839 -6.1789 -6.1789 -5.7887 -5.7887 -5.6103 -5.6103 -5.5925 -5.5925 -5.2948 -5.2948 -5.0202 -5.0202 -0.6071 -0.6071 -0.2832 -0.2832 0.9596 0.9596 1.3206 1.3206 1.4767 1.4767 1.7513 1.7513 6.5560 6.5560 7.1948 7.1948 7.6536 7.6536 7.8820 7.8820 7.9713 7.9713 8.2925 8.2925 8.3589 8.3589 8.5262 8.5262 8.5435 8.5435 8.5868 8.5868 8.8904 8.8904 9.3638 9.3638 9.7493 9.7493 10.1652 10.1652 10.2410 10.2410 10.3266 10.3266 10.4609 10.4609 10.8970 10.8970 15.3771 15.3771 15.5614 15.5614 15.9446 15.9446 17.2964 17.2964 17.4395 17.4395 17.7784 17.7784 k =-0.2069 0.2106 0.2952 ( 4832 PWs) bands (ev): -13.7723 -13.7723 -13.5784 -13.5784 -6.1735 -6.1735 -5.7723 -5.7723 -5.6159 -5.6159 -5.5977 -5.5977 -5.2715 -5.2715 -5.0192 -5.0192 -0.6369 -0.6369 -0.2875 -0.2875 0.9217 0.9217 1.2715 1.2715 1.4713 1.4713 1.7470 1.7470 6.5542 6.5542 7.2366 7.2366 7.5674 7.5674 7.9458 7.9458 7.9754 7.9754 8.2736 8.2736 8.4085 8.4085 8.4850 8.4850 8.5907 8.5907 8.6757 8.6757 8.9474 8.9474 9.4220 9.4220 9.7354 9.7354 10.1834 10.1834 10.2829 10.2829 10.3508 10.3508 10.4634 10.4634 10.9179 10.9179 15.2894 15.2894 15.4733 15.4733 15.8586 15.8586 17.2657 17.2657 17.4130 17.4130 17.8070 17.8070 k =-0.1983 0.2018 0.2829 ( 4830 PWs) bands (ev): -13.7804 -13.7804 -13.5729 -13.5729 -6.1673 -6.1673 -5.7688 -5.7688 -5.6358 -5.6358 -5.5751 -5.5751 -5.2482 -5.2482 -5.0172 -5.0172 -0.6672 -0.6672 -0.2921 -0.2921 0.8839 0.8839 1.2204 1.2204 1.4671 1.4671 1.7410 1.7410 6.5523 6.5523 7.2818 7.2818 7.4802 7.4802 7.9257 7.9257 8.0602 8.0602 8.2467 8.2467 8.4534 8.4534 8.4598 8.4598 8.6427 8.6427 8.7616 8.7616 9.0051 9.0051 9.4851 9.4851 9.7223 9.7223 10.2016 10.2016 10.3262 10.3262 10.3733 10.3733 10.4697 10.4697 10.9393 10.9393 15.2029 15.2029 15.3853 15.3853 15.7729 15.7729 17.1521 17.1521 17.4687 17.4687 17.8349 17.8349 k =-0.1896 0.1930 0.2706 ( 4840 PWs) bands (ev): -13.7884 -13.7884 -13.5676 -13.5676 -6.1606 -6.1606 -5.7746 -5.7746 -5.6560 -5.6560 -5.5425 -5.5425 -5.2251 -5.2251 -5.0142 -5.0142 -0.6977 -0.6977 -0.2970 -0.2970 0.8463 0.8463 1.1681 1.1681 1.4636 1.4636 1.7336 1.7336 6.5502 6.5502 7.3297 7.3297 7.3936 7.3936 7.8956 7.8956 8.1487 8.1487 8.2170 8.2170 8.4381 8.4381 8.5092 8.5092 8.6952 8.6952 8.8422 8.8422 9.0638 9.0638 9.5517 9.5517 9.7100 9.7100 10.2199 10.2199 10.3706 10.3706 10.3943 10.3943 10.4802 10.4802 10.9610 10.9610 15.1178 15.1178 15.2975 15.2975 15.6875 15.6875 17.0325 17.0325 17.5293 17.5293 17.8233 17.8255 k =-0.1810 0.1842 0.2583 ( 4842 PWs) bands (ev): -13.7963 -13.7963 -13.5624 -13.5624 -6.1534 -6.1534 -5.7856 -5.7856 -5.6758 -5.6758 -5.5045 -5.5045 -5.2022 -5.2022 -5.0105 -5.0105 -0.7285 -0.7285 -0.3021 -0.3021 0.8090 0.8090 1.1153 1.1153 1.4607 1.4607 1.7247 1.7247 6.5478 6.5478 7.3079 7.3079 7.3796 7.3796 7.8575 7.8575 8.1909 8.1909 8.2369 8.2369 8.4307 8.4307 8.5610 8.5610 8.7480 8.7480 8.9167 8.9167 9.1234 9.1234 9.6206 9.6206 9.6986 9.6986 10.2384 10.2384 10.4121 10.4121 10.4174 10.4174 10.4953 10.4953 10.9830 10.9830 15.0345 15.0345 15.2103 15.2103 15.6023 15.6023 16.9149 16.9149 17.5871 17.5871 17.7117 17.7117 k =-0.1724 0.1755 0.2460 ( 4842 PWs) bands (ev): -13.8041 -13.8041 -13.5573 -13.5573 -6.1458 -6.1458 -5.7991 -5.7991 -5.6948 -5.6948 -5.4641 -5.4641 -5.1796 -5.1796 -5.0058 -5.0058 -0.7592 -0.7592 -0.3075 -0.3075 0.7721 0.7721 1.0625 1.0625 1.4582 1.4582 1.7146 1.7146 6.5450 6.5450 7.2243 7.2243 7.4299 7.4299 7.8123 7.8123 8.1723 8.1723 8.3242 8.3242 8.4287 8.4287 8.6142 8.6142 8.8008 8.8008 8.9846 8.9846 9.1834 9.1834 9.6852 9.6852 9.6932 9.6932 10.2572 10.2572 10.4316 10.4316 10.4611 10.4611 10.5162 10.5162 11.0053 11.0053 14.9532 14.9532 15.1240 15.1240 15.5172 15.5172 16.8006 16.8006 17.6023 17.6023 17.6409 17.6409 k =-0.1638 0.1667 0.2337 ( 4842 PWs) bands (ev): -13.8117 -13.8117 -13.5524 -13.5524 -6.1380 -6.1380 -5.8138 -5.8138 -5.7130 -5.7130 -5.4227 -5.4227 -5.1575 -5.1575 -5.0003 -5.0003 -0.7900 -0.7900 -0.3131 -0.3131 0.7356 0.7356 1.0102 1.0102 1.4561 1.4561 1.7034 1.7034 6.5419 6.5419 7.1428 7.1428 7.4796 7.4796 7.7619 7.7619 8.1622 8.1622 8.4100 8.4100 8.4302 8.4302 8.6690 8.6690 8.8536 8.8536 9.0465 9.0465 9.2428 9.2428 9.6776 9.6776 9.7610 9.7610 10.2761 10.2761 10.4487 10.4487 10.5041 10.5041 10.5449 10.5449 11.0276 11.0276 14.8741 14.8741 15.0389 15.0389 15.4321 15.4321 16.6901 16.6901 17.4960 17.4960 17.6898 17.6898 k =-0.1552 0.1579 0.2214 ( 4844 PWs) bands (ev): -13.8192 -13.8192 -13.5476 -13.5476 -6.1301 -6.1301 -5.8289 -5.8289 -5.7302 -5.7302 -5.3812 -5.3812 -5.1358 -5.1358 -4.9941 -4.9941 -0.8205 -0.8205 -0.3189 -0.3189 0.6998 0.6998 0.9589 0.9589 1.4541 1.4541 1.6913 1.6913 6.5382 6.5382 7.0639 7.0639 7.5266 7.5266 7.7098 7.7098 8.1600 8.1600 8.4328 8.4328 8.4950 8.4950 8.7255 8.7255 8.9061 8.9061 9.1029 9.1029 9.3004 9.3004 9.6685 9.6685 9.8300 9.8300 10.2953 10.2953 10.4642 10.4642 10.5434 10.5434 10.5835 10.5835 11.0501 11.0501 14.7976 14.7976 14.9553 14.9553 15.3471 15.3471 16.5838 16.5838 17.3932 17.3932 17.7340 17.7340 k =-0.1465 0.1492 0.2091 ( 4840 PWs) bands (ev): -13.8264 -13.8264 -13.5431 -13.5431 -6.1223 -6.1223 -5.8440 -5.8440 -5.7464 -5.7464 -5.3404 -5.3404 -5.1148 -5.1148 -4.9872 -4.9872 -0.8508 -0.8508 -0.3249 -0.3249 0.6645 0.6645 0.9089 0.9089 1.4524 1.4524 1.6785 1.6785 6.5340 6.5340 6.9877 6.9877 7.5643 7.5643 7.6635 7.6635 8.1648 8.1648 8.4374 8.4374 8.5772 8.5772 8.7835 8.7835 8.9581 8.9581 9.1551 9.1551 9.3548 9.3548 9.6601 9.6601 9.8971 9.8971 10.3148 10.3148 10.4782 10.4782 10.5813 10.5813 10.6298 10.6298 11.0724 11.0724 14.7237 14.7237 14.8734 14.8734 15.2621 15.2621 16.4820 16.4820 17.2945 17.2945 17.7731 17.7731 k =-0.1379 0.1404 0.1968 ( 4843 PWs) bands (ev): -13.8334 -13.8334 -13.5387 -13.5387 -6.1147 -6.1147 -5.8588 -5.8588 -5.7613 -5.7613 -5.3006 -5.3006 -5.0943 -5.0943 -4.9796 -4.9796 -0.8806 -0.8806 -0.3309 -0.3309 0.6300 0.6300 0.8607 0.8607 1.4507 1.4507 1.6653 1.6653 6.5292 6.5292 6.9146 6.9146 7.5639 7.5639 7.6527 7.6527 8.1757 8.1757 8.4427 8.4427 8.6568 8.6568 8.8428 8.8428 9.0096 9.0096 9.2038 9.2038 9.4051 9.4051 9.6525 9.6525 9.9613 9.9613 10.3344 10.3344 10.4906 10.4906 10.6210 10.6210 10.6803 10.6803 11.0947 11.0947 14.6528 14.6528 14.7936 14.7936 15.1772 15.1772 16.3847 16.3847 17.2004 17.2004 17.8072 17.8072 k =-0.1293 0.1316 0.1845 ( 4843 PWs) bands (ev): -13.8402 -13.8402 -13.5345 -13.5345 -6.1075 -6.1075 -5.8731 -5.8731 -5.7750 -5.7750 -5.2623 -5.2623 -5.0744 -5.0744 -4.9715 -4.9715 -0.9098 -0.9098 -0.3370 -0.3370 0.5964 0.5964 0.8145 0.8145 1.4492 1.4492 1.6518 1.6518 6.5237 6.5237 6.8448 6.8448 7.5222 7.5222 7.6809 7.6809 8.1921 8.1921 8.4485 8.4485 8.7330 8.7330 8.9032 8.9032 9.0601 9.0601 9.2500 9.2500 9.4506 9.4506 9.6457 9.6457 10.0219 10.0219 10.3542 10.3542 10.5016 10.5016 10.6637 10.6637 10.7333 10.7333 11.1167 11.1167 14.5849 14.5849 14.7163 14.7163 15.0926 15.0926 16.2922 16.2922 17.1113 17.1113 17.8362 17.8362 k =-0.1207 0.1228 0.1722 ( 4843 PWs) bands (ev): -13.8466 -13.8466 -13.5306 -13.5306 -6.1008 -6.1008 -5.8869 -5.8869 -5.7872 -5.7872 -5.2258 -5.2258 -5.0551 -5.0551 -4.9629 -4.9629 -0.9382 -0.9382 -0.3432 -0.3432 0.5636 0.5636 0.7708 0.7708 1.4476 1.4476 1.6384 1.6384 6.5176 6.5176 6.7785 6.7785 7.4733 7.4733 7.7143 7.7143 8.2133 8.2133 8.4548 8.4548 8.8051 8.8051 8.9644 8.9644 9.1096 9.1096 9.2943 9.2943 9.4912 9.4912 9.6396 9.6396 10.0783 10.0783 10.3741 10.3741 10.5112 10.5112 10.7091 10.7091 10.7881 10.7881 11.1384 11.1384 14.5204 14.5204 14.6418 14.6418 15.0084 15.0084 16.2048 16.2048 17.0276 17.0276 17.8602 17.8602 k =-0.1121 0.1141 0.1599 ( 4853 PWs) bands (ev): -13.8528 -13.8528 -13.5268 -13.5268 -6.0948 -6.0948 -5.9000 -5.9000 -5.7979 -5.7979 -5.1915 -5.1915 -5.0363 -5.0363 -4.9540 -4.9540 -0.9658 -0.9658 -0.3492 -0.3492 0.5318 0.5318 0.7299 0.7299 1.4461 1.4461 1.6252 1.6252 6.5109 6.5109 6.7160 6.7160 7.4252 7.4252 7.7453 7.7453 8.2384 8.2384 8.4613 8.4613 8.8723 8.8723 9.0264 9.0264 9.1577 9.1577 9.3371 9.3371 9.5269 9.5269 9.6343 9.6343 10.1296 10.1296 10.3939 10.3939 10.5197 10.5197 10.7566 10.7566 10.8441 10.8441 11.1596 11.1596 14.4593 14.4593 14.5704 14.5704 14.9252 14.9252 16.1225 16.1225 16.9495 16.9495 17.8795 17.8795 k =-0.1034 0.1053 0.1476 ( 4857 PWs) bands (ev): -13.8585 -13.8585 -13.5233 -13.5233 -6.0896 -6.0896 -5.9123 -5.9123 -5.8071 -5.8071 -5.1597 -5.1597 -5.0180 -5.0180 -4.9449 -4.9449 -0.9922 -0.9922 -0.3552 -0.3552 0.5012 0.5012 0.6918 0.6918 1.4444 1.4444 1.6124 1.6124 6.5035 6.5035 6.6574 6.6574 7.3798 7.3798 7.7724 7.7724 8.2666 8.2666 8.4680 8.4680 8.9336 8.9336 9.0889 9.0889 9.2043 9.2043 9.3789 9.3789 9.5579 9.5579 9.6299 9.6299 10.1757 10.1757 10.4135 10.4135 10.5270 10.5270 10.8053 10.8053 10.9008 10.9008 11.1804 11.1804 14.4017 14.4017 14.5025 14.5025 14.8433 14.8433 16.0456 16.0456 16.8774 16.8774 17.8942 17.8942 k =-0.0948 0.0965 0.1353 ( 4849 PWs) bands (ev): -13.8640 -13.8640 -13.5201 -13.5201 -6.0852 -6.0852 -5.9238 -5.9238 -5.8148 -5.8148 -5.1308 -5.1308 -5.0000 -5.0000 -4.9357 -4.9357 -1.0174 -1.0174 -0.3611 -0.3611 0.4718 0.4718 0.6568 0.6568 1.4426 1.4426 1.6004 1.6004 6.4957 6.4957 6.6028 6.6028 7.3377 7.3377 7.7957 7.7957 8.2966 8.2966 8.4748 8.4748 8.9886 8.9886 9.1516 9.1516 9.2491 9.2491 9.4197 9.4197 9.5843 9.5843 9.6268 9.6268 10.2162 10.2162 10.4327 10.4327 10.5333 10.5333 10.8543 10.8543 10.9575 10.9575 11.2006 11.2006 14.3479 14.3479 14.4385 14.4385 14.7633 14.7633 15.9741 15.9741 16.8112 16.8112 17.9048 17.9048 k =-0.0862 0.0877 0.1230 ( 4855 PWs) bands (ev): -13.8690 -13.8690 -13.5171 -13.5171 -6.0817 -6.0817 -5.9345 -5.9345 -5.8210 -5.8210 -5.1049 -5.1049 -4.9823 -4.9823 -4.9266 -4.9266 -1.0412 -1.0412 -0.3666 -0.3666 0.4440 0.4440 0.6249 0.6249 1.4406 1.4406 1.5892 1.5892 6.4874 6.4874 6.5526 6.5526 7.2993 7.2993 7.8154 7.8154 8.3273 8.3273 8.4816 8.4816 9.0367 9.0367 9.2139 9.2139 9.2917 9.2917 9.4595 9.4595 9.6048 9.6048 9.6266 9.6266 10.2510 10.2510 10.4513 10.4513 10.5387 10.5387 10.9026 10.9026 11.0133 11.0133 11.2201 11.2201 14.2980 14.2980 14.3788 14.3788 14.6858 14.6858 15.9083 15.9083 16.7512 16.7512 17.9117 17.9117 k =-0.0776 0.0790 0.1107 ( 4855 PWs) bands (ev): -13.8736 -13.8736 -13.5143 -13.5143 -6.0791 -6.0791 -5.9442 -5.9442 -5.8257 -5.8257 -5.0823 -5.0823 -4.9649 -4.9649 -4.9178 -4.9178 -1.0634 -1.0634 -0.3720 -0.3720 0.4179 0.4179 0.5963 0.5963 1.4385 1.4385 1.5790 1.5790 6.4789 6.4789 6.5067 6.5067 7.2647 7.2647 7.8318 7.8318 8.3574 8.3574 8.4887 8.4887 9.0783 9.0783 9.2748 9.2748 9.3318 9.3318 9.4978 9.4978 9.6137 9.6137 9.6356 9.6356 10.2803 10.2803 10.4691 10.4691 10.5433 10.5433 10.9492 10.9492 11.0674 11.0674 11.2389 11.2389 14.2520 14.2520 14.3236 14.3236 14.6118 14.6118 15.8483 15.8483 16.6972 16.6972 17.9154 17.9160 k =-0.0690 0.0702 0.0984 ( 4851 PWs) bands (ev): -13.8778 -13.8778 -13.5119 -13.5119 -6.0773 -6.0773 -5.9530 -5.9530 -5.8292 -5.8292 -5.0630 -5.0630 -4.9479 -4.9479 -4.9094 -4.9094 -1.0838 -1.0838 -0.3769 -0.3769 0.3938 0.3938 0.5709 0.5709 1.4362 1.4362 1.5699 1.5699 6.4646 6.4646 6.4711 6.4711 7.2341 7.2341 7.8456 7.8456 8.3857 8.3857 8.4960 8.4960 9.1135 9.1135 9.3334 9.3334 9.3694 9.3694 9.5338 9.5338 9.6149 9.6149 9.6505 9.6505 10.3043 10.3043 10.4859 10.4859 10.5472 10.5472 10.9932 10.9932 11.1188 11.1188 11.2569 11.2569 14.2100 14.2100 14.2735 14.2735 14.5419 14.5419 15.7942 15.7942 16.6494 16.6494 17.9162 17.9163 k =-0.0603 0.0614 0.0861 ( 4853 PWs) bands (ev): -13.8815 -13.8815 -13.5097 -13.5097 -6.0762 -6.0762 -5.9609 -5.9609 -5.8317 -5.8317 -5.0467 -5.0467 -4.9318 -4.9318 -4.9016 -4.9016 -1.1022 -1.1022 -0.3815 -0.3815 0.3718 0.3718 0.5486 0.5486 1.4337 1.4337 1.5620 1.5620 6.4282 6.4282 6.4624 6.4624 7.2075 7.2075 7.8569 7.8569 8.4112 8.4112 8.5038 8.5038 9.1429 9.1429 9.3875 9.3875 9.4048 9.4048 9.5658 9.5658 9.6168 9.6168 9.6646 9.6646 10.3234 10.3234 10.5013 10.5013 10.5505 10.5505 11.0337 11.0337 11.1666 11.1666 11.2741 11.2741 14.1722 14.1722 14.2288 14.2288 14.4772 14.4772 15.7462 15.7462 16.6075 16.6075 17.9151 17.9158 k =-0.0517 0.0526 0.0738 ( 4853 PWs) bands (ev): -13.8848 -13.8848 -13.5078 -13.5078 -6.0757 -6.0757 -5.9677 -5.9677 -5.8332 -5.8332 -5.0333 -5.0333 -4.9168 -4.9168 -4.8945 -4.8945 -1.1186 -1.1186 -0.3855 -0.3855 0.3523 0.3523 0.5295 0.5295 1.4313 1.4313 1.5553 1.5553 6.3962 6.3962 6.4545 6.4545 7.1847 7.1847 7.8663 7.8663 8.4328 8.4328 8.5123 8.5123 9.1670 9.1670 9.4294 9.4294 9.4446 9.4446 9.5888 9.5888 9.6247 9.6247 9.6768 9.6768 10.3379 10.3379 10.5152 10.5152 10.5533 10.5533 11.0697 11.0697 11.2101 11.2101 11.2903 11.2903 14.1387 14.1387 14.1896 14.1896 14.4187 14.4187 15.7043 15.7043 16.5715 16.5715 17.9127 17.9234 k =-0.0431 0.0439 0.0615 ( 4851 PWs) bands (ev): -13.8875 -13.8875 -13.5061 -13.5061 -6.0755 -6.0755 -5.9735 -5.9735 -5.8341 -5.8341 -5.0224 -5.0224 -4.9035 -4.9035 -4.8883 -4.8883 -1.1327 -1.1327 -0.3891 -0.3891 0.3354 0.3354 0.5134 0.5134 1.4289 1.4289 1.5498 1.5498 6.3689 6.3689 6.4474 6.4474 7.1657 7.1657 7.8738 7.8738 8.4500 8.4500 8.5215 8.5215 9.1865 9.1865 9.4577 9.4577 9.4886 9.4886 9.5981 9.5981 9.6429 9.6429 9.6871 9.6871 10.3486 10.3486 10.5273 10.5273 10.5557 10.5557 11.1007 11.1007 11.2483 11.2483 11.3052 11.3052 14.1096 14.1096 14.1564 14.1564 14.3672 14.3672 15.6687 15.6687 16.5412 16.5412 17.9083 17.9132 k =-0.0345 0.0351 0.0492 ( 4847 PWs) bands (ev): -13.8898 -13.8898 -13.5048 -13.5048 -6.0756 -6.0756 -5.9783 -5.9783 -5.8345 -5.8345 -5.0138 -5.0138 -4.8922 -4.8922 -4.8829 -4.8829 -1.1444 -1.1444 -0.3921 -0.3921 0.3213 0.3213 0.5003 0.5003 1.4267 1.4267 1.5455 1.5455 6.3464 6.3464 6.4412 6.4412 7.1503 7.1503 7.8798 7.8798 8.4626 8.4626 8.5310 8.5310 9.2017 9.2017 9.4802 9.4802 9.5275 9.5275 9.6006 9.6006 9.6639 9.6639 9.6956 9.6956 10.3561 10.3561 10.5371 10.5371 10.5578 10.5578 11.1262 11.1262 11.2807 11.2807 11.3185 11.3185 14.0852 14.0852 14.1292 14.1292 14.3237 14.3237 15.6395 15.6395 16.5167 16.5167 17.9063 17.9204 k =-0.0259 0.0263 0.0369 ( 4845 PWs) bands (ev): -13.8916 -13.8916 -13.5038 -13.5038 -6.0759 -6.0759 -5.9820 -5.9820 -5.8346 -5.8346 -5.0074 -5.0074 -4.8834 -4.8834 -4.8783 -4.8783 -1.1537 -1.1537 -0.3944 -0.3944 0.3102 0.3102 0.4902 0.4902 1.4248 1.4248 1.5422 1.5422 6.3289 6.3289 6.4361 6.4361 7.1385 7.1385 7.8843 7.8843 8.4713 8.4713 8.5399 8.5399 9.2131 9.2131 9.4980 9.4980 9.5592 9.5592 9.6013 9.6013 9.6820 9.6820 9.7024 9.7024 10.3609 10.3609 10.5445 10.5445 10.5600 10.5600 11.1460 11.1460 11.3065 11.3065 11.3297 11.3297 14.0658 14.0658 14.1081 14.1081 14.2889 14.2889 15.6166 15.6166 16.4977 16.4977 17.9012 17.9104 k =-0.0172 0.0175 0.0246 ( 4833 PWs) bands (ev): -13.8929 -13.8929 -13.5030 -13.5030 -6.0761 -6.0761 -5.9847 -5.9847 -5.8345 -5.8345 -5.0029 -5.0029 -4.8779 -4.8779 -4.8740 -4.8740 -1.1604 -1.1604 -0.3961 -0.3961 0.3021 0.3021 0.4830 0.4830 1.4234 1.4234 1.5399 1.5399 6.3164 6.3164 6.4323 6.4323 7.1302 7.1302 7.8875 7.8875 8.4769 8.4769 8.5470 8.5470 9.2210 9.2210 9.5107 9.5107 9.5825 9.5825 9.6016 9.6016 9.6953 9.6953 9.7075 9.7075 10.3638 10.3638 10.5493 10.5493 10.5621 10.5621 11.1600 11.1600 11.3254 11.3254 11.3383 11.3383 14.0516 14.0516 14.0930 14.0930 14.2636 14.2636 15.6003 15.6003 16.4842 16.4842 17.8953 17.9064 k =-0.0086 0.0088 0.0123 ( 4833 PWs) bands (ev): -13.8937 -13.8937 -13.5026 -13.5026 -6.0763 -6.0763 -5.9863 -5.9863 -5.8345 -5.8345 -5.0002 -5.0002 -4.8754 -4.8754 -4.8706 -4.8706 -1.1644 -1.1644 -0.3972 -0.3972 0.2973 0.2973 0.4786 0.4786 1.4225 1.4225 1.5386 1.5386 6.3088 6.3088 6.4300 6.4300 7.1252 7.1252 7.8894 7.8894 8.4800 8.4800 8.5516 8.5516 9.2257 9.2257 9.5185 9.5185 9.5967 9.5967 9.6018 9.6018 9.7029 9.7029 9.7112 9.7112 10.3653 10.3653 10.5517 10.5517 10.5638 10.5638 11.1683 11.1683 11.3368 11.3368 11.3437 11.3437 14.0430 14.0430 14.0839 14.0839 14.2483 14.2483 15.5904 15.5904 16.4761 16.4761 17.8920 17.8993 k = 0.0000 0.0000 0.0000 ( 4845 PWs) bands (ev): -13.8939 -13.8939 -13.5024 -13.5024 -6.0764 -6.0764 -5.9869 -5.9869 -5.8345 -5.8345 -4.9993 -4.9993 -4.8747 -4.8747 -4.8694 -4.8694 -1.1658 -1.1658 -0.3975 -0.3975 0.2957 0.2957 0.4772 0.4772 1.4222 1.4222 1.5382 1.5382 6.3063 6.3063 6.4292 6.4292 7.1236 7.1236 7.8900 7.8900 8.4810 8.4810 8.5532 8.5532 9.2272 9.2272 9.5211 9.5211 9.6008 9.6008 9.6026 9.6026 9.7052 9.7052 9.7127 9.7127 10.3658 10.3658 10.5525 10.5525 10.5644 10.5644 11.1711 11.1711 11.3407 11.3407 11.3455 11.3455 14.0401 14.0401 14.0809 14.0809 14.2431 14.2431 15.5872 15.5872 16.4734 16.4734 17.8900 17.8938 k = 0.0000 0.0000 0.0000 ( 4845 PWs) bands (ev): -13.8939 -13.8939 -13.5024 -13.5024 -6.0764 -6.0764 -5.9869 -5.9869 -5.8345 -5.8345 -4.9993 -4.9993 -4.8747 -4.8747 -4.8694 -4.8694 -1.1658 -1.1658 -0.3975 -0.3975 0.2957 0.2957 0.4772 0.4772 1.4222 1.4222 1.5382 1.5382 6.3063 6.3063 6.4292 6.4292 7.1236 7.1236 7.8900 7.8900 8.4810 8.4810 8.5532 8.5532 9.2272 9.2272 9.5211 9.5211 9.6008 9.6008 9.6026 9.6026 9.7052 9.7052 9.7127 9.7127 10.3658 10.3658 10.5525 10.5525 10.5644 10.5644 11.1711 11.1711 11.3407 11.3407 11.3455 11.3455 14.0401 14.0401 14.0809 14.0809 14.2431 14.2431 15.5872 15.5872 16.4734 16.4734 17.8901 17.8980 k = 0.0125 0.0123 0.0000 ( 4829 PWs) bands (ev): -13.8937 -13.8937 -13.5026 -13.5026 -6.0770 -6.0770 -5.9866 -5.9866 -5.8335 -5.8335 -5.0001 -5.0001 -4.8762 -4.8762 -4.8698 -4.8698 -1.1645 -1.1645 -0.3971 -0.3971 0.2972 0.2972 0.4787 0.4787 1.4230 1.4230 1.5383 1.5383 6.3063 6.3063 6.4326 6.4326 7.1253 7.1253 7.8886 7.8886 8.4784 8.4784 8.5524 8.5524 9.2257 9.2257 9.5203 9.5203 9.5982 9.5982 9.5999 9.5999 9.7041 9.7041 9.7099 9.7099 10.3665 10.3665 10.5515 10.5515 10.5635 10.5635 11.1685 11.1685 11.3401 11.3401 11.3403 11.3403 14.0449 14.0449 14.0855 14.0855 14.2439 14.2439 15.5902 15.5902 16.4755 16.4755 17.8988 17.9021 k = 0.0250 0.0246 0.0000 ( 4837 PWs) bands (ev): -13.8929 -13.8929 -13.5031 -13.5031 -6.0790 -6.0790 -5.9858 -5.9858 -5.8306 -5.8306 -5.0025 -5.0025 -4.8807 -4.8807 -4.8711 -4.8711 -1.1609 -1.1609 -0.3960 -0.3960 0.3017 0.3017 0.4830 0.4830 1.4254 1.4254 1.5387 1.5387 6.3062 6.3062 6.4427 6.4427 7.1305 7.1305 7.8844 7.8844 8.4707 8.4707 8.5499 8.5499 9.2210 9.2210 9.5180 9.5180 9.5903 9.5903 9.5917 9.5917 9.7006 9.7006 9.7014 9.7014 10.3687 10.3687 10.5487 10.5487 10.5607 10.5607 11.1600 11.1600 11.3253 11.3253 11.3385 11.3385 14.0593 14.0593 14.0992 14.0992 14.2465 14.2465 15.5992 15.5992 16.4817 16.4817 17.9051 17.9064 k = 0.0375 0.0368-0.0000 ( 4837 PWs) bands (ev): -13.8916 -13.8916 -13.5039 -13.5039 -6.0823 -6.0823 -5.9844 -5.9844 -5.8256 -5.8256 -5.0067 -5.0067 -4.8880 -4.8880 -4.8734 -4.8734 -1.1548 -1.1548 -0.3942 -0.3942 0.3091 0.3091 0.4903 0.4903 1.4293 1.4293 1.5394 1.5394 6.3062 6.3062 6.4591 6.4591 7.1395 7.1395 7.8774 7.8774 8.4581 8.4581 8.5456 8.5456 9.2132 9.2132 9.5141 9.5141 9.5774 9.5774 9.5784 9.5784 9.6874 9.6874 9.6948 9.6948 10.3722 10.3722 10.5440 10.5440 10.5561 10.5561 11.1436 11.1436 11.3032 11.3032 11.3357 11.3357 14.0831 14.0831 14.1215 14.1215 14.2511 14.2511 15.6142 15.6142 16.4920 16.4920 17.9105 17.9141 k = 0.0500 0.0491 0.0000 ( 4829 PWs) bands (ev): -13.8897 -13.8897 -13.5050 -13.5050 -6.0873 -6.0873 -5.9825 -5.9825 -5.8184 -5.8184 -5.0129 -5.0129 -4.8977 -4.8977 -4.8764 -4.8764 -1.1463 -1.1463 -0.3916 -0.3916 0.3195 0.3195 0.5005 0.5005 1.4348 1.4348 1.5403 1.5403 6.3061 6.3061 6.4810 6.4810 7.1528 7.1528 7.8672 7.8672 8.4409 8.4409 8.5396 8.5396 9.2021 9.2021 9.5084 9.5084 9.5596 9.5596 9.5603 9.5603 9.6682 9.6682 9.6868 9.6868 10.3767 10.3767 10.5374 10.5374 10.5496 10.5496 11.1159 11.1159 11.2782 11.2782 11.3319 11.3319 14.1161 14.1161 14.1516 14.1516 14.2584 14.2584 15.6351 15.6351 16.5063 16.5063 17.9217 17.9242 k = 0.0625 0.0614 0.0000 ( 4829 PWs) bands (ev): -13.8874 -13.8874 -13.5064 -13.5064 -6.0940 -6.0940 -5.9801 -5.9801 -5.8088 -5.8088 -5.0215 -5.0215 -4.9093 -4.9093 -4.8803 -4.8803 -1.1354 -1.1354 -0.3884 -0.3884 0.3327 0.3327 0.5135 0.5135 1.4417 1.4417 1.5415 1.5415 6.3060 6.3060 6.5077 6.5077 7.1713 7.1713 7.8538 7.8538 8.4196 8.4196 8.5318 8.5318 9.1876 9.1876 9.5008 9.5008 9.5372 9.5372 9.5378 9.5378 9.6442 9.6442 9.6765 9.6765 10.3821 10.3821 10.5291 10.5291 10.5411 10.5411 11.0733 11.0733 11.2552 11.2552 11.3272 11.3272 14.1580 14.1580 14.1868 14.1868 14.2707 14.2707 15.6617 15.6617 16.5247 16.5247 17.9339 17.9356 k = 0.0750 0.0737-0.0000 ( 4845 PWs) bands (ev): -13.8846 -13.8846 -13.5081 -13.5081 -6.1026 -6.1026 -5.9772 -5.9772 -5.7966 -5.7966 -5.0331 -5.0331 -4.9220 -4.9220 -4.8851 -4.8851 -1.1223 -1.1223 -0.3844 -0.3844 0.3487 0.3487 0.5293 0.5293 1.4502 1.4502 1.5429 1.5429 6.3059 6.3059 6.5376 6.5376 7.1959 7.1959 7.8368 7.8368 8.3948 8.3948 8.5220 8.5220 9.1695 9.1695 9.4905 9.4905 9.5106 9.5106 9.5120 9.5120 9.6158 9.6158 9.6641 9.6641 10.3878 10.3878 10.5190 10.5190 10.5308 10.5308 11.0153 11.0153 11.2361 11.2361 11.3216 11.3216 14.2086 14.2086 14.2208 14.2208 14.2940 14.2940 15.6940 15.6940 16.5472 16.5472 17.9500 17.9505 k = 0.0875 0.0860 0.0000 ( 4849 PWs) bands (ev): -13.8813 -13.8813 -13.5101 -13.5101 -6.1131 -6.1131 -5.9738 -5.9738 -5.7817 -5.7817 -5.0483 -5.0483 -4.9350 -4.9350 -4.8905 -4.8905 -1.1070 -1.1070 -0.3798 -0.3798 0.3674 0.3674 0.5479 0.5479 1.4601 1.4601 1.5446 1.5446 6.3057 6.3057 6.5695 6.5695 7.2279 7.2279 7.8159 7.8159 8.3670 8.3670 8.5102 8.5102 9.1476 9.1476 9.4731 9.4731 9.4802 9.4802 9.4880 9.4880 9.5835 9.5835 9.6495 9.6495 10.3933 10.3933 10.5073 10.5073 10.5185 10.5185 10.9442 10.9442 11.2205 11.2205 11.3152 11.3152 14.2450 14.2450 14.2673 14.2673 14.3364 14.3364 15.7317 15.7317 16.5736 16.5736 17.9651 17.9660 k = 0.1000 0.0983 0.0000 ( 4841 PWs) bands (ev): -13.8775 -13.8775 -13.5124 -13.5124 -6.1257 -6.1257 -5.9700 -5.9700 -5.7641 -5.7641 -5.0675 -5.0675 -4.9476 -4.9476 -4.8967 -4.8967 -1.0895 -1.0895 -0.3746 -0.3746 0.3886 0.3886 0.5692 0.5692 1.4713 1.4713 1.5464 1.5464 6.3056 6.3056 6.6016 6.6016 7.2686 7.2686 7.7907 7.7907 8.3371 8.3371 8.4963 8.4963 9.1214 9.1214 9.4429 9.4429 9.4462 9.4462 9.4717 9.4717 9.5480 9.5480 9.6330 9.6330 10.3978 10.3978 10.4940 10.4940 10.5045 10.5045 10.8637 10.8637 11.2072 11.2072 11.3082 11.3082 14.2612 14.2612 14.3337 14.3337 14.3957 14.3957 15.7746 15.7746 16.6039 16.6039 17.9813 17.9818 k = 0.1125 0.1105 0.0000 ( 4841 PWs) bands (ev): -13.8733 -13.8733 -13.5149 -13.5149 -6.1401 -6.1401 -5.9657 -5.9657 -5.7437 -5.7437 -5.0909 -5.0909 -4.9594 -4.9594 -4.9036 -4.9036 -1.0699 -1.0699 -0.3687 -0.3687 0.4123 0.4123 0.5931 0.5931 1.4839 1.4839 1.5485 1.5485 6.3054 6.3054 6.6325 6.6325 7.3192 7.3192 7.7610 7.7610 8.3055 8.3055 8.4802 8.4802 9.0906 9.0906 9.4074 9.4074 9.4090 9.4090 9.4561 9.4561 9.5099 9.5099 9.6145 9.6145 10.3995 10.3995 10.4794 10.4794 10.4886 10.4886 10.7781 10.7781 11.1951 11.1951 11.3006 11.3006 14.2745 14.2745 14.4073 14.4073 14.4661 14.4661 15.8224 15.8224 16.6380 16.6380 17.9972 17.9988 k = 0.1250 0.1228 0.0000 ( 4821 PWs) bands (ev): -13.8687 -13.8687 -13.5177 -13.5177 -6.1564 -6.1564 -5.9610 -5.9610 -5.7207 -5.7207 -5.1182 -5.1182 -4.9703 -4.9703 -4.9110 -4.9110 -1.0484 -1.0484 -0.3623 -0.3623 0.4384 0.4384 0.6196 0.6196 1.4977 1.4977 1.5507 1.5507 6.3052 6.3052 6.6608 6.6608 7.3805 7.3805 7.7264 7.7264 8.2731 8.2731 8.4618 8.4618 9.0543 9.0543 9.3690 9.3690 9.3694 9.3694 9.4391 9.4391 9.4701 9.4701 9.5943 9.5943 10.3950 10.3950 10.4636 10.4636 10.4712 10.4712 10.6930 10.6930 11.1836 11.1836 11.2926 11.2926 14.2873 14.2873 14.4875 14.4875 14.5449 14.5449 15.8749 15.8749 16.6759 16.6759 18.0107 18.0134 k = 0.1375 0.1351 0.0000 ( 4821 PWs) bands (ev): -13.8637 -13.8637 -13.5207 -13.5207 -6.1744 -6.1744 -5.9560 -5.9560 -5.6951 -5.6951 -5.1491 -5.1491 -4.9804 -4.9804 -4.9190 -4.9190 -1.0251 -1.0251 -0.3554 -0.3554 0.4666 0.4666 0.6486 0.6486 1.5127 1.5127 1.5531 1.5531 6.3049 6.3049 6.6857 6.6857 7.4529 7.4529 7.6866 7.6866 8.2403 8.2403 8.4409 8.4409 9.0118 9.0118 9.3266 9.3266 9.3297 9.3297 9.4202 9.4202 9.4294 9.4294 9.5723 9.5723 10.3766 10.3766 10.4470 10.4470 10.4522 10.4522 10.6181 10.6181 11.1726 11.1726 11.2844 11.2844 14.3002 14.3002 14.5740 14.5740 14.6306 14.6306 15.9319 15.9319 16.7174 16.7174 18.0201 18.0213 k = 0.1500 0.1474-0.0000 ( 4817 PWs) bands (ev): -13.8583 -13.8583 -13.5239 -13.5239 -6.1940 -6.1940 -5.9506 -5.9506 -5.6671 -5.6671 -5.1829 -5.1829 -4.9899 -4.9899 -4.9275 -4.9275 -1.0001 -1.0001 -0.3481 -0.3481 0.4968 0.4968 0.6800 0.6800 1.5288 1.5288 1.5557 1.5557 6.3047 6.3047 6.7069 6.7069 7.5363 7.5363 7.6417 7.6417 8.2076 8.2076 8.4177 8.4177 8.9621 8.9621 9.2825 9.2825 9.2888 9.2888 9.3885 9.3885 9.3996 9.3996 9.5488 9.5488 10.3331 10.3331 10.4296 10.4296 10.4320 10.4320 10.5665 10.5665 11.1618 11.1618 11.2760 11.2760 14.3137 14.3137 14.6659 14.6659 14.7223 14.7223 15.9929 15.9929 16.7626 16.7626 18.0262 18.0291 k = 0.1625 0.1597-0.0000 ( 4813 PWs) bands (ev): -13.8526 -13.8526 -13.5273 -13.5273 -6.2150 -6.2150 -5.9449 -5.9449 -5.6368 -5.6368 -5.2192 -5.2192 -4.9990 -4.9990 -4.9364 -4.9364 -0.9735 -0.9735 -0.3403 -0.3403 0.5289 0.5289 0.7136 0.7136 1.5459 1.5459 1.5583 1.5583 6.3045 6.3045 6.7244 6.7244 7.5917 7.5917 7.6302 7.6302 8.1753 8.1753 8.3919 8.3919 8.9042 8.9042 9.2373 9.2373 9.2473 9.2473 9.3481 9.3481 9.3772 9.3772 9.5238 9.5238 10.2622 10.2622 10.4106 10.4106 10.4118 10.4118 10.5421 10.5421 11.1513 11.1513 11.2675 11.2675 14.3279 14.3279 14.7629 14.7629 14.8193 14.8193 16.0577 16.0577 16.8111 16.8111 18.0289 18.0317 k = 0.1750 0.1719 0.0000 ( 4821 PWs) bands (ev): -13.8466 -13.8466 -13.5308 -13.5308 -6.2372 -6.2372 -5.9389 -5.9389 -5.6045 -5.6045 -5.2575 -5.2575 -5.0079 -5.0079 -4.9457 -4.9457 -0.9454 -0.9454 -0.3322 -0.3322 0.5627 0.5627 0.7494 0.7494 1.5610 1.5610 1.5639 1.5639 6.3042 6.3042 6.7385 6.7385 7.5368 7.5368 7.7337 7.7337 8.1435 8.1435 8.3638 8.3638 8.8374 8.8374 9.1920 9.1920 9.2054 9.2054 9.3086 9.3086 9.3533 9.3533 9.4976 9.4976 10.1754 10.1754 10.3884 10.3884 10.3936 10.3936 10.5351 10.5351 11.1411 11.1411 11.2591 11.2591 14.3427 14.3427 14.8644 14.8644 14.9209 14.9209 16.1259 16.1259 16.8631 16.8631 18.0252 18.0253 k = 0.1875 0.1842 0.0000 ( 4813 PWs) bands (ev): -13.8403 -13.8403 -13.5345 -13.5345 -6.2604 -6.2604 -5.9327 -5.9327 -5.5702 -5.5702 -5.2973 -5.2973 -5.0165 -5.0165 -4.9552 -4.9552 -0.9161 -0.9161 -0.3238 -0.3238 0.5981 0.5981 0.7873 0.7873 1.5638 1.5638 1.5826 1.5826 6.3039 6.3039 6.7497 6.7497 7.4774 7.4774 7.8459 7.8459 8.1122 8.1122 8.3332 8.3332 8.7614 8.7614 9.1471 9.1471 9.1637 9.1637 9.2701 9.2701 9.3278 9.3278 9.4702 9.4702 10.0829 10.0829 10.3655 10.3655 10.3755 10.3755 10.5363 10.5363 11.1313 11.1313 11.2509 11.2509 14.3581 14.3581 14.9696 14.9696 15.0265 15.0265 16.1972 16.1972 16.9182 16.9182 18.0142 18.0176 k = 0.2000 0.1965 0.0000 ( 4833 PWs) bands (ev): -13.8338 -13.8338 -13.5383 -13.5383 -6.2844 -6.2844 -5.9263 -5.9263 -5.5342 -5.5342 -5.3383 -5.3383 -5.0251 -5.0251 -4.9650 -4.9650 -0.8856 -0.8856 -0.3151 -0.3151 0.6348 0.6348 0.8270 0.8270 1.5666 1.5666 1.6021 1.6021 6.3036 6.3036 6.7585 6.7585 7.4139 7.4139 7.9656 7.9656 8.0814 8.0814 8.3003 8.3003 8.6761 8.6761 9.1032 9.1032 9.1223 9.1223 9.2327 9.2327 9.3011 9.3011 9.4419 9.4419 9.9899 9.9899 10.3422 10.3422 10.3575 10.3575 10.5415 10.5415 11.1219 11.1219 11.2429 11.2429 14.3742 14.3742 15.0782 15.0782 15.1355 15.1355 16.2711 16.2711 16.9764 16.9764 17.9989 18.0008 k = 0.2125 0.2088 0.0000 ( 4841 PWs) bands (ev): -13.8271 -13.8271 -13.5422 -13.5422 -6.3092 -6.3092 -5.9198 -5.9198 -5.4967 -5.4967 -5.3801 -5.3801 -5.0336 -5.0336 -4.9750 -4.9750 -0.8541 -0.8541 -0.3063 -0.3063 0.6726 0.6726 0.8685 0.8685 1.5694 1.5694 1.6220 1.6220 6.3033 6.3033 6.7652 6.7652 7.3469 7.3469 8.0510 8.0510 8.0918 8.0918 8.2653 8.2653 8.5824 8.5824 9.0606 9.0606 9.0816 9.0816 9.1965 9.1965 9.2732 9.2732 9.4128 9.4128 9.8991 9.8991 10.3189 10.3189 10.3401 10.3401 10.5487 10.5487 11.1129 11.1129 11.2353 11.2353 14.3909 14.3909 15.1895 15.1895 15.2473 15.2473 16.3472 16.3472 17.0374 17.0374 17.9795 17.9806 k = 0.2250 0.2211 0.0000 ( 4857 PWs) bands (ev): -13.8202 -13.8202 -13.5462 -13.5462 -6.3344 -6.3344 -5.9132 -5.9132 -5.4579 -5.4579 -5.4223 -5.4223 -5.0419 -5.0419 -4.9850 -4.9850 -0.8219 -0.8219 -0.2973 -0.2973 0.7113 0.7113 0.9115 0.9115 1.5722 1.5722 1.6425 1.6425 6.3030 6.3030 6.7702 6.7702 7.2770 7.2770 8.0209 8.0209 8.2223 8.2223 8.2297 8.2297 8.4812 8.4812 9.0193 9.0193 9.0418 9.0418 9.1613 9.1613 9.2445 9.2445 9.3830 9.3830 9.8119 9.8119 10.2956 10.2956 10.3234 10.3234 10.5570 10.5570 11.1043 11.1043 11.2279 11.2279 14.4080 14.4080 15.3029 15.3029 15.3613 15.3613 16.4252 16.4252 17.1011 17.1011 17.9578 17.9583 k = 0.2375 0.2333-0.0000 ( 4865 PWs) bands (ev): -13.8133 -13.8133 -13.5502 -13.5502 -6.3599 -6.3599 -5.9065 -5.9065 -5.4647 -5.4647 -5.4180 -5.4180 -5.0502 -5.0502 -4.9951 -4.9951 -0.7890 -0.7890 -0.2883 -0.2883 0.7509 0.7509 0.9559 0.9559 1.5750 1.5750 1.6632 1.6632 6.3027 6.3027 6.7739 6.7739 7.2045 7.2045 7.9910 7.9910 8.1896 8.1896 8.3594 8.3594 8.3746 8.3746 8.9794 8.9794 9.0030 9.0030 9.1272 9.1272 9.2152 9.2152 9.3527 9.3527 9.7288 9.7288 10.2726 10.2726 10.3076 10.3076 10.5658 10.5658 11.0963 11.0963 11.2210 11.2210 14.4256 14.4256 15.4178 15.4178 15.4770 15.4770 16.5046 16.5046 17.1673 17.1673 17.9340 17.9342 k = 0.2500 0.2456 0.0000 ( 4861 PWs) bands (ev): -13.8063 -13.8063 -13.5542 -13.5542 -6.3855 -6.3855 -5.8998 -5.8998 -5.5069 -5.5069 -5.3773 -5.3773 -5.0583 -5.0583 -5.0051 -5.0051 -0.7557 -0.7557 -0.2793 -0.2793 0.7909 0.7909 1.0014 1.0014 1.5777 1.5777 1.6841 1.6841 6.3024 6.3024 6.7765 6.7765 7.1302 7.1302 7.9613 7.9613 8.1495 8.1495 8.2615 8.2615 8.5001 8.5001 8.9409 8.9409 8.9655 8.9655 9.0941 9.0941 9.1854 9.1854 9.3221 9.3221 9.6501 9.6501 10.2502 10.2502 10.2928 10.2928 10.5749 10.5749 11.0888 11.0888 11.2144 11.2144 14.4435 14.4435 15.5337 15.5337 15.5936 15.5936 16.5849 16.5849 17.2356 17.2356 17.9087 17.9088 k = 0.2625 0.2579 0.0000 ( 4857 PWs) bands (ev): -13.7992 -13.7992 -13.5582 -13.5582 -6.4110 -6.4110 -5.8931 -5.8931 -5.5487 -5.5487 -5.3360 -5.3360 -5.0663 -5.0663 -5.0151 -5.0151 -0.7221 -0.7221 -0.2704 -0.2704 0.8313 0.8313 1.0479 1.0479 1.5804 1.5804 1.7051 1.7051 6.3021 6.3021 6.7781 6.7781 7.0545 7.0545 7.9317 7.9317 8.1082 8.1082 8.1460 8.1460 8.6424 8.6424 8.9041 8.9041 8.9295 8.9295 9.0620 9.0620 9.1554 9.1554 9.2914 9.2914 9.5758 9.5758 10.2286 10.2286 10.2791 10.2791 10.5840 10.5840 11.0818 11.0818 11.2083 11.2083 14.4617 14.4617 15.6500 15.6500 15.7106 15.7106 16.6658 16.6658 17.3059 17.3059 17.8825 17.8825 k = 0.2750 0.2702 0.0000 ( 4857 PWs) bands (ev): -13.7922 -13.7922 -13.5621 -13.5621 -6.4364 -6.4364 -5.8864 -5.8864 -5.5898 -5.5898 -5.2944 -5.2944 -5.0742 -5.0742 -5.0249 -5.0249 -0.6885 -0.6885 -0.2615 -0.2615 0.8717 0.8717 1.0950 1.0950 1.5830 1.5830 1.7259 1.7259 6.3018 6.3018 6.7791 6.7791 6.9781 6.9781 7.9022 7.9022 8.0279 8.0279 8.0667 8.0667 8.7836 8.7836 8.8714 8.8714 8.8949 8.8949 9.0309 9.0309 9.1255 9.1255 9.2607 9.2607 9.5058 9.5058 10.2078 10.2078 10.2667 10.2667 10.5930 10.5930 11.0753 11.0753 11.2026 11.2026 14.4799 14.4799 15.7659 15.7659 15.8273 15.8273 16.7468 16.7468 17.3777 17.3777 17.8560 17.8560 k = 0.2875 0.2825-0.0000 ( 4877 PWs) bands (ev): -13.7852 -13.7852 -13.5661 -13.5661 -6.4614 -6.4614 -5.8799 -5.8799 -5.6300 -5.6300 -5.2527 -5.2527 -5.0818 -5.0818 -5.0344 -5.0344 -0.6550 -0.6550 -0.2529 -0.2529 0.9120 0.9120 1.1426 1.1426 1.5855 1.5855 1.7466 1.7466 6.3015 6.3015 6.7795 6.7795 6.9014 6.9014 7.8731 7.8731 7.9099 7.9099 8.0240 8.0240 8.8279 8.8279 8.8620 8.8620 8.9375 8.9375 9.0014 9.0014 9.0959 9.0959 9.2301 9.2301 9.4400 9.4400 10.1881 10.1881 10.2554 10.2554 10.6019 10.6019 11.0694 11.0694 11.1974 11.1974 14.4982 14.4982 15.8809 15.8809 15.9431 15.9431 16.8275 16.8275 17.4508 17.4508 17.8295 17.8295 k = 0.3000 0.2948-0.0000 ( 4885 PWs) bands (ev): -13.7783 -13.7783 -13.5699 -13.5699 -6.4858 -6.4858 -5.8734 -5.8734 -5.6690 -5.6690 -5.2113 -5.2113 -5.0892 -5.0892 -5.0438 -5.0438 -0.6219 -0.6219 -0.2444 -0.2444 0.9519 0.9519 1.1902 1.1902 1.5880 1.5880 1.7668 1.7668 6.3012 6.3012 6.7794 6.7794 6.8249 6.8249 7.7923 7.7923 7.8442 7.8442 7.9814 7.9814 8.7970 8.7970 8.8309 8.8309 8.9713 8.9713 9.0668 9.0668 9.0818 9.0818 9.1999 9.1999 9.3781 9.3781 10.1695 10.1695 10.2454 10.2454 10.6105 10.6105 11.0641 11.0641 11.1926 11.1926 14.5164 14.5164 15.9942 15.9942 16.0572 16.0572 16.9072 16.9072 17.5248 17.5248 17.8036 17.8036 k = 0.3125 0.3070-0.0000 ( 4881 PWs) bands (ev): -13.7716 -13.7716 -13.5736 -13.5736 -6.5096 -6.5096 -5.8672 -5.8672 -5.7067 -5.7067 -5.1705 -5.1705 -5.0961 -5.0961 -5.0528 -5.0528 -0.5893 -0.5893 -0.2362 -0.2362 0.9912 0.9912 1.2376 1.2376 1.5905 1.5905 1.7866 1.7866 6.3009 6.3009 6.7492 6.7492 6.7790 6.7790 7.6765 7.6765 7.8159 7.8159 7.9390 7.9390 8.7658 8.7658 8.8015 8.8015 8.9437 8.9437 9.0384 9.0384 9.1703 9.1703 9.2254 9.2254 9.3200 9.3200 10.1522 10.1522 10.2366 10.2366 10.6187 10.6187 11.0592 11.0592 11.1882 11.1882 14.5345 14.5345 16.1051 16.1051 16.1690 16.1690 16.9857 16.9857 17.5991 17.5991 17.7789 17.7789 k = 0.3250 0.3193-0.0000 ( 4873 PWs) bands (ev): -13.7651 -13.7651 -13.5772 -13.5772 -6.5325 -6.5325 -5.8612 -5.8612 -5.7427 -5.7427 -5.1311 -5.1311 -5.1022 -5.1022 -5.0614 -5.0614 -0.5576 -0.5576 -0.2283 -0.2283 1.0296 1.0296 1.2844 1.2844 1.5929 1.5929 1.8057 1.8057 6.3007 6.3007 6.6749 6.6749 6.7783 6.7783 7.5636 7.5636 7.7882 7.7882 7.8972 7.8972 8.7358 8.7358 8.7739 8.7739 8.9173 8.9173 9.0109 9.0109 9.1413 9.1413 9.2655 9.2655 9.3677 9.3677 10.1361 10.1361 10.2290 10.2290 10.6266 10.6266 11.0548 11.0548 11.1842 11.1842 14.5522 14.5522 16.2129 16.2129 16.2776 16.2776 17.0624 17.0624 17.6733 17.6733 17.7558 17.7558 k = 0.3375 0.3316-0.0000 ( 4873 PWs) bands (ev): -13.7588 -13.7588 -13.5807 -13.5807 -6.5545 -6.5545 -5.8554 -5.8554 -5.7771 -5.7771 -5.1118 -5.1118 -5.0889 -5.0889 -5.0697 -5.0697 -0.5268 -0.5268 -0.2208 -0.2208 1.0668 1.0668 1.3301 1.3301 1.5955 1.5955 1.8241 1.8241 6.3004 6.3004 6.6024 6.6024 6.7775 6.7775 7.4545 7.4545 7.7613 7.7613 7.8564 7.8564 8.7075 8.7075 8.7483 8.7483 8.8921 8.8921 8.9844 8.9844 9.1131 9.1131 9.2146 9.2146 9.5070 9.5070 10.1213 10.1213 10.2225 10.2225 10.6341 10.6341 11.0509 11.0509 11.1806 11.1806 14.5694 14.5694 16.3166 16.3166 16.3821 16.3821 17.1369 17.1369 17.7340 17.7341 17.7476 17.7735 k = 0.3500 0.3439 0.0000 ( 4865 PWs) bands (ev): -13.7528 -13.7528 -13.5840 -13.5840 -6.5754 -6.5754 -5.8499 -5.8499 -5.8096 -5.8096 -5.1168 -5.1168 -5.0775 -5.0775 -5.0523 -5.0523 -0.4972 -0.4972 -0.2136 -0.2136 1.1027 1.1027 1.3743 1.3743 1.5983 1.5983 1.8417 1.8417 6.3001 6.3001 6.5322 6.5322 6.7764 6.7764 7.3501 7.3501 7.7354 7.7354 7.8169 7.8169 8.6809 8.6809 8.7246 8.7246 8.8684 8.8684 8.9593 8.9593 9.0861 9.0861 9.1672 9.1672 9.6422 9.6422 10.1079 10.1079 10.2170 10.2170 10.6411 10.6411 11.0474 11.0474 11.1774 11.1774 14.5860 14.5860 16.4154 16.4154 16.4817 16.4817 17.2086 17.2086 17.7159 17.7159 17.7589 17.7589 k = 0.3625 0.3562-0.0000 ( 4877 PWs) bands (ev): -13.7471 -13.7471 -13.5871 -13.5871 -6.5950 -6.5950 -5.8448 -5.8448 -5.8400 -5.8400 -5.1224 -5.1224 -5.0848 -5.0848 -5.0164 -5.0164 -0.4690 -0.4690 -0.2069 -0.2069 1.1369 1.1369 1.4163 1.4163 1.6016 1.6016 1.8582 1.8582 6.2999 6.2999 6.4650 6.4650 6.7754 6.7754 7.2512 7.2512 7.7106 7.7106 7.7790 7.7790 8.6562 8.6562 8.7029 8.7029 8.8462 8.8462 8.9356 8.9356 9.0602 9.0602 9.1232 9.1232 9.7724 9.7724 10.0958 10.0958 10.2124 10.2124 10.6477 10.6477 11.0443 11.0443 11.1745 11.1745 14.6020 14.6020 16.5084 16.5084 16.5753 16.5753 17.2772 17.2772 17.7002 17.7002 17.7449 17.7449 k = 0.3750 0.3684 0.0000 ( 4873 PWs) bands (ev): -13.7418 -13.7418 -13.5900 -13.5900 -6.6134 -6.6134 -5.8682 -5.8682 -5.8399 -5.8399 -5.1277 -5.1277 -5.0916 -5.0916 -4.9823 -4.9823 -0.4424 -0.4424 -0.2007 -0.2007 1.1692 1.1692 1.4554 1.4554 1.6057 1.6057 1.8736 1.8736 6.2996 6.2996 6.4012 6.4012 6.7742 6.7742 7.1585 7.1585 7.6873 7.6873 7.7431 7.7431 8.6334 8.6334 8.6832 8.6832 8.8258 8.8258 8.9135 8.9135 9.0357 9.0357 9.0827 9.0827 9.8962 9.8962 10.0850 10.0850 10.2086 10.2086 10.6537 10.6537 11.0417 11.0417 11.1720 11.1720 14.6171 14.6171 16.5946 16.5946 16.6622 16.6622 17.3422 17.3422 17.6879 17.6879 17.7342 17.7342 k = 0.3875 0.3807-0.0000 ( 4885 PWs) bands (ev): -13.7368 -13.7368 -13.5926 -13.5926 -6.6303 -6.6303 -5.8941 -5.8941 -5.8355 -5.8355 -5.1326 -5.1326 -5.0979 -5.0979 -4.9505 -4.9505 -0.4177 -0.4177 -0.1950 -0.1950 1.1994 1.1994 1.4904 1.4904 1.6115 1.6115 1.8879 1.8879 6.2994 6.2994 6.3415 6.3415 6.7731 6.7731 7.0726 7.0726 7.6654 7.6654 7.7094 7.7094 8.6126 8.6126 8.6654 8.6654 8.8071 8.8071 8.8931 8.8931 9.0129 9.0129 9.0456 9.0456 10.0127 10.0127 10.0754 10.0754 10.2057 10.2057 10.6592 10.6592 11.0394 11.0394 11.1698 11.1698 14.6312 14.6312 16.6731 16.6731 16.7412 16.7412 17.4031 17.4031 17.6792 17.6792 17.7271 17.7271 k = 0.4000 0.3930 0.0000 ( 4861 PWs) bands (ev): -13.7323 -13.7323 -13.5951 -13.5951 -6.6457 -6.6457 -5.9175 -5.9175 -5.8314 -5.8314 -5.1371 -5.1371 -5.1035 -5.1035 -4.9211 -4.9211 -0.3950 -0.3950 -0.1897 -0.1897 1.2272 1.2272 1.5197 1.5197 1.6200 1.6200 1.9008 1.9008 6.2856 6.2856 6.2997 6.2997 6.7720 6.7720 6.9942 6.9942 7.6454 7.6454 7.6785 7.6785 8.5939 8.5939 8.6497 8.6497 8.7903 8.7903 8.8745 8.8745 8.9918 8.9918 9.0120 9.0120 10.0670 10.0670 10.1204 10.1204 10.2037 10.2037 10.6642 10.6642 11.0374 11.0374 11.1678 11.1678 14.6442 14.6442 16.7432 16.7432 16.8116 16.8116 17.4596 17.4596 17.6743 17.6743 17.7237 17.7237 k = 0.4125 0.4053-0.0000 ( 4853 PWs) bands (ev): -13.7282 -13.7282 -13.5972 -13.5972 -6.6595 -6.6595 -5.9385 -5.9385 -5.8278 -5.8278 -5.1411 -5.1411 -5.1086 -5.1086 -4.8945 -4.8945 -0.3744 -0.3744 -0.1851 -0.1851 1.2523 1.2523 1.5419 1.5419 1.6324 1.6324 1.9124 1.9124 6.2357 6.2357 6.2992 6.2992 6.7710 6.7710 6.9238 6.9238 7.6272 7.6272 7.6504 7.6504 8.5773 8.5773 8.6359 8.6359 8.7754 8.7754 8.8579 8.8579 8.9726 8.9726 8.9820 8.9820 10.0598 10.0598 10.1979 10.1979 10.2228 10.2228 10.6687 10.6687 11.0357 11.0357 11.1662 11.1662 14.6560 14.6560 16.8042 16.8042 16.8728 16.8728 17.5112 17.5112 17.6732 17.6732 17.7241 17.7241 k = 0.4250 0.4176 0.0000 ( 4853 PWs) bands (ev): -13.7246 -13.7246 -13.5992 -13.5992 -6.6716 -6.6716 -5.9568 -5.9568 -5.8246 -5.8246 -5.1446 -5.1446 -5.1130 -5.1130 -4.8709 -4.8709 -0.3563 -0.3563 -0.1810 -0.1810 1.2746 1.2746 1.5566 1.5566 1.6487 1.6487 1.9226 1.9226 6.1910 6.1910 6.2990 6.2990 6.7700 6.7700 6.8619 6.8619 7.6111 7.6111 7.6254 7.6254 8.5629 8.5629 8.6241 8.6241 8.7625 8.7625 8.8433 8.8433 8.9556 8.9556 8.9557 8.9557 10.0537 10.0537 10.1988 10.1988 10.3083 10.3083 10.6725 10.6725 11.0343 11.0343 11.1648 11.1648 14.6665 14.6665 16.8557 16.8557 16.9245 16.9245 17.5575 17.5575 17.6754 17.6754 17.7277 17.7277 k = 0.4375 0.4298-0.0000 ( 4852 PWs) bands (ev): -13.7215 -13.7215 -13.6008 -13.6008 -6.6820 -6.6820 -5.9724 -5.9724 -5.8219 -5.8219 -5.1476 -5.1476 -5.1168 -5.1168 -4.8505 -4.8505 -0.3406 -0.3406 -0.1775 -0.1775 1.2938 1.2938 1.5656 1.5656 1.6666 1.6666 1.9313 1.9313 6.1522 6.1522 6.2989 6.2989 6.7692 6.7692 6.8087 6.8087 7.5972 7.5972 7.6039 7.6039 8.5506 8.5506 8.6142 8.6142 8.7516 8.7516 8.8308 8.8308 8.9331 8.9331 8.9409 8.9409 10.0486 10.0486 10.1980 10.1980 10.3845 10.3845 10.6758 10.6758 11.0332 11.0332 11.1637 11.1637 14.6756 14.6756 16.8979 16.8979 16.9666 16.9666 17.5981 17.5981 17.6802 17.6802 17.7339 17.7339 k = 0.4500 0.4421 0.0000 ( 4852 PWs) bands (ev): -13.7190 -13.7190 -13.6021 -13.6021 -6.6906 -6.6906 -5.9853 -5.9853 -5.8196 -5.8196 -5.1501 -5.1501 -5.1199 -5.1199 -4.8336 -4.8336 -0.3276 -0.3276 -0.1746 -0.1746 1.3098 1.3098 1.5709 1.5709 1.6838 1.6838 1.9385 1.9385 6.1199 6.1199 6.2988 6.2988 6.7648 6.7648 6.7685 6.7685 7.5857 7.5857 7.5860 7.5860 8.5406 8.5406 8.6062 8.6062 8.7428 8.7428 8.8205 8.8205 8.9144 8.9144 8.9286 8.9286 10.0445 10.0445 10.1972 10.1972 10.4483 10.4483 10.6785 10.6785 11.0324 11.0324 11.1627 11.1627 14.6831 14.6831 16.9310 16.9310 16.9996 16.9996 17.6326 17.6326 17.6867 17.6867 17.7414 17.7414 k = 0.4625 0.4544-0.0000 ( 4852 PWs) bands (ev): -13.7170 -13.7170 -13.6032 -13.6032 -6.6973 -6.6973 -5.9953 -5.9953 -5.8178 -5.8178 -5.1520 -5.1520 -5.1224 -5.1224 -4.8203 -4.8203 -0.3174 -0.3174 -0.1724 -0.1724 1.3225 1.3225 1.5741 1.5741 1.6984 1.6984 1.9441 1.9441 6.0943 6.0943 6.2987 6.2987 6.7303 6.7303 6.7680 6.7680 7.5718 7.5718 7.5766 7.5766 8.5327 8.5327 8.6000 8.6000 8.7360 8.7360 8.8125 8.8125 8.8997 8.8997 8.9189 8.9189 10.0413 10.0413 10.1967 10.1967 10.4988 10.4988 10.6806 10.6806 11.0317 11.0317 11.1620 11.1620 14.6891 14.6891 16.9557 16.9557 17.0241 17.0241 17.6604 17.6604 17.6935 17.6935 17.7492 17.7492 k = 0.4750 0.4667-0.0000 ( 4852 PWs) bands (ev): -13.7155 -13.7155 -13.6040 -13.6040 -6.7021 -6.7021 -6.0025 -6.0025 -5.8166 -5.8166 -5.1534 -5.1534 -5.1241 -5.1241 -4.8106 -4.8106 -0.3100 -0.3100 -0.1708 -0.1708 1.3316 1.3316 1.5760 1.5760 1.7095 1.7095 1.9481 1.9481 6.0758 6.0758 6.2986 6.2986 6.7055 6.7055 6.7676 6.7676 7.5617 7.5617 7.5701 7.5701 8.5271 8.5271 8.5956 8.5956 8.7311 8.7311 8.8067 8.8067 8.8891 8.8891 8.9119 8.9119 10.0391 10.0391 10.1963 10.1963 10.5354 10.5354 10.6821 10.6821 11.0312 11.0312 11.1615 11.1615 14.6934 14.6934 16.9727 16.9727 17.0410 17.0410 17.6809 17.6809 17.6995 17.6995 17.7557 17.7557 k = 0.4875 0.4790 0.0000 ( 4860 PWs) bands (ev): -13.7147 -13.7147 -13.6044 -13.6044 -6.7050 -6.7050 -6.0069 -6.0069 -5.8158 -5.8158 -5.1543 -5.1543 -5.1252 -5.1252 -4.8048 -4.8048 -0.3055 -0.3055 -0.1698 -0.1698 1.3371 1.3371 1.5770 1.5770 1.7163 1.7163 1.9506 1.9506 6.0646 6.0646 6.2986 6.2986 6.6906 6.6906 6.7673 6.7673 7.5555 7.5555 7.5661 7.5661 8.5237 8.5237 8.5930 8.5930 8.7282 8.7282 8.8032 8.8032 8.8827 8.8827 8.9076 8.9076 10.0378 10.0378 10.1961 10.1961 10.5575 10.5575 10.6830 10.6830 11.0310 11.0310 11.1612 11.1612 14.6960 14.6960 16.9826 16.9826 17.0508 17.0508 17.6935 17.6935 17.7035 17.7035 17.7601 17.7601 k = 0.5000 0.4913 0.0000 ( 4856 PWs) bands (ev): -13.7144 -13.7144 -13.6046 -13.6046 -6.7060 -6.7060 -6.0083 -6.0083 -5.8155 -5.8155 -5.1545 -5.1545 -5.1256 -5.1256 -4.8029 -4.8029 -0.3040 -0.3040 -0.1695 -0.1695 1.3389 1.3389 1.5773 1.5773 1.7186 1.7186 1.9514 1.9514 6.0609 6.0609 6.2986 6.2986 6.6856 6.6856 6.7672 6.7672 7.5534 7.5534 7.5648 7.5648 8.5226 8.5226 8.5921 8.5921 8.7273 8.7273 8.8020 8.8020 8.8806 8.8806 8.9062 8.9062 10.0374 10.0374 10.1960 10.1960 10.5649 10.5649 10.6833 10.6833 11.0309 11.0309 11.1612 11.1612 14.6968 14.6968 16.9858 16.9858 17.0540 17.0540 17.6978 17.6978 17.7050 17.7050 17.7617 17.7617 k = 0.5000 0.4913 0.0000 ( 4856 PWs) bands (ev): -13.7144 -13.7144 -13.6046 -13.6046 -6.7060 -6.7060 -6.0083 -6.0083 -5.8155 -5.8155 -5.1545 -5.1545 -5.1256 -5.1256 -4.8029 -4.8029 -0.3040 -0.3040 -0.1695 -0.1695 1.3389 1.3389 1.5773 1.5773 1.7186 1.7186 1.9514 1.9514 6.0609 6.0609 6.2986 6.2986 6.6856 6.6856 6.7672 6.7672 7.5534 7.5534 7.5648 7.5648 8.5226 8.5226 8.5921 8.5921 8.7273 8.7273 8.8020 8.8020 8.8806 8.8806 8.9062 8.9062 10.0374 10.0374 10.1960 10.1960 10.5649 10.5649 10.6833 10.6833 11.0309 11.0309 11.1612 11.1612 14.6968 14.6968 16.9858 16.9858 17.0540 17.0540 17.6978 17.6978 17.7050 17.7050 17.7617 17.7617 k = 0.4914 0.5000 0.0123 ( 4858 PWs) bands (ev): -13.7142 -13.7142 -13.6047 -13.6047 -6.7049 -6.7049 -6.0090 -6.0090 -5.8150 -5.8150 -5.1550 -5.1550 -5.1260 -5.1260 -4.8034 -4.8034 -0.3039 -0.3039 -0.1695 -0.1695 1.3394 1.3394 1.5773 1.5773 1.7183 1.7183 1.9508 1.9508 6.0629 6.0629 6.3013 6.3013 6.6853 6.6853 6.7694 6.7694 7.5548 7.5548 7.5662 7.5662 8.5219 8.5219 8.5917 8.5917 8.6992 8.6992 8.7940 8.7940 8.8626 8.8626 8.9598 8.9598 10.0357 10.0357 10.1940 10.1940 10.5652 10.5652 10.6819 10.6819 11.0274 11.0274 11.1574 11.1574 14.7016 14.7016 16.9843 16.9843 17.0524 17.0524 17.6908 17.6908 17.7127 17.7127 17.7622 17.7622 k = 0.4828 0.5088 0.0246 ( 4856 PWs) bands (ev): -13.7137 -13.7137 -13.6052 -13.6052 -6.7017 -6.7017 -6.0109 -6.0109 -5.8134 -5.8134 -5.1566 -5.1566 -5.1274 -5.1274 -4.8051 -4.8051 -0.3035 -0.3035 -0.1695 -0.1695 1.3410 1.3410 1.5774 1.5774 1.7174 1.7174 1.9490 1.9490 6.0691 6.0691 6.3095 6.3095 6.6843 6.6843 6.7761 6.7761 7.5587 7.5587 7.5704 7.5704 8.5190 8.5190 8.5903 8.5903 8.6422 8.6422 8.7493 8.7493 8.8942 8.8942 9.0293 9.0293 10.0307 10.0307 10.1879 10.1879 10.5660 10.5660 10.6778 10.6778 11.0170 11.0170 11.1462 11.1462 14.7160 14.7160 16.9796 16.9796 17.0478 17.0478 17.6814 17.6814 17.7218 17.7218 17.7663 17.7663 k = 0.4741 0.5176 0.0369 ( 4852 PWs) bands (ev): -13.7129 -13.7129 -13.6060 -13.6060 -6.6965 -6.6965 -6.0141 -6.0141 -5.8108 -5.8108 -5.1591 -5.1591 -5.1297 -5.1297 -4.8078 -4.8078 -0.3029 -0.3029 -0.1697 -0.1697 1.3437 1.3437 1.5775 1.5775 1.7159 1.7159 1.9461 1.9461 6.0792 6.0792 6.3231 6.3231 6.6826 6.6826 6.7871 6.7871 7.5647 7.5647 7.5779 7.5779 8.5090 8.5090 8.5743 8.5743 8.5914 8.5914 8.7032 8.7032 8.9391 8.9391 9.0993 9.0993 10.0221 10.0221 10.1781 10.1781 10.5672 10.5672 10.6709 10.6709 10.9999 10.9999 11.1279 11.1279 14.7398 14.7398 16.9715 16.9715 17.0409 17.0409 17.6710 17.6710 17.7242 17.7242 17.7798 17.7798 k = 0.4655 0.5264 0.0492 ( 4850 PWs) bands (ev): -13.7118 -13.7118 -13.6071 -13.6071 -6.6891 -6.6891 -6.0186 -6.0186 -5.8071 -5.8071 -5.1628 -5.1628 -5.1329 -5.1329 -4.8115 -4.8115 -0.3020 -0.3020 -0.1699 -0.1699 1.3473 1.3473 1.5775 1.5775 1.7138 1.7138 1.9421 1.9421 6.0935 6.0935 6.3420 6.3420 6.6803 6.6803 6.8026 6.8026 7.5725 7.5725 7.5890 7.5890 8.4658 8.4658 8.5340 8.5340 8.5883 8.5883 8.6622 8.6622 8.9871 8.9871 9.1678 9.1678 10.0098 10.0098 10.1651 10.1651 10.5690 10.5690 10.6608 10.6608 10.9762 10.9762 11.1031 11.1031 14.7726 14.7726 16.9599 16.9599 17.0325 17.0325 17.6592 17.6592 17.7187 17.7187 17.8042 17.8042 k = 0.4569 0.5351 0.0615 ( 4858 PWs) bands (ev): -13.7104 -13.7104 -13.6085 -13.6085 -6.6797 -6.6797 -6.0242 -6.0242 -5.8023 -5.8023 -5.1678 -5.1678 -5.1369 -5.1369 -4.8163 -4.8163 -0.3010 -0.3010 -0.1704 -0.1704 1.3520 1.3520 1.5773 1.5773 1.7112 1.7112 1.9370 1.9370 6.1117 6.1117 6.3663 6.3663 6.6774 6.6774 6.8224 6.8224 7.5820 7.5820 7.6036 7.6036 8.3881 8.3881 8.5195 8.5195 8.5863 8.5863 8.6267 8.6267 9.0367 9.0367 9.2340 9.2340 9.9935 9.9935 10.1494 10.1494 10.5711 10.5711 10.6473 10.6473 10.9461 10.9461 11.0726 11.0726 14.8141 14.8141 16.9449 16.9449 17.0233 17.0233 17.6456 17.6456 17.7081 17.7081 17.8363 17.8363 k = 0.4483 0.5439 0.0738 ( 4856 PWs) bands (ev): -13.7087 -13.7087 -13.6103 -13.6103 -6.6682 -6.6682 -6.0308 -6.0308 -5.7965 -5.7965 -5.1740 -5.1740 -5.1416 -5.1416 -4.8220 -4.8220 -0.2997 -0.2997 -0.1711 -0.1711 1.3576 1.3576 1.5768 1.5768 1.7083 1.7083 1.9310 1.9310 6.1338 6.1338 6.3959 6.3959 6.6739 6.6739 6.8464 6.8464 7.5932 7.5932 7.6218 7.6218 8.3019 8.3019 8.5073 8.5073 8.5780 8.5780 8.6028 8.6028 9.0875 9.0875 9.2974 9.2974 9.9727 9.9727 10.1317 10.1317 10.5736 10.5736 10.6301 10.6301 10.9098 10.9098 11.0377 11.0377 14.8639 14.8639 16.9269 16.9269 17.0135 17.0135 17.6299 17.6299 17.6943 17.6943 17.8740 17.8741 k = 0.4396 0.5527 0.0861 ( 4860 PWs) bands (ev): -13.7066 -13.7066 -13.6123 -13.6123 -6.6547 -6.6547 -6.0385 -6.0385 -5.7895 -5.7895 -5.1814 -5.1814 -5.1471 -5.1471 -4.8286 -4.8286 -0.2983 -0.2983 -0.1722 -0.1722 1.3640 1.3640 1.5758 1.5758 1.7050 1.7050 1.9242 1.9242 6.1598 6.1598 6.4306 6.4306 6.6699 6.6699 6.8747 6.8747 7.6062 7.6062 7.6433 7.6433 8.2129 8.2129 8.4924 8.4924 8.5553 8.5553 8.5986 8.5986 9.1393 9.1393 9.3580 9.3580 9.9475 9.9475 10.1126 10.1126 10.5757 10.5757 10.6093 10.6093 10.8675 10.8675 10.9998 10.9998 14.9213 14.9213 16.9065 16.9065 17.0028 17.0028 17.6123 17.6123 17.6780 17.6780 17.9159 17.9171 k = 0.4310 0.5615 0.0984 ( 4864 PWs) bands (ev): -13.7043 -13.7043 -13.6147 -13.6147 -6.6392 -6.6392 -6.0470 -6.0470 -5.7814 -5.7814 -5.1903 -5.1903 -5.1533 -5.1533 -4.8361 -4.8361 -0.2968 -0.2968 -0.1738 -0.1738 1.3713 1.3713 1.5741 1.5741 1.7015 1.7015 1.9166 1.9166 6.1896 6.1896 6.4704 6.4704 6.6655 6.6655 6.9071 6.9071 7.6210 7.6210 7.6680 7.6680 8.1227 8.1227 8.4735 8.4735 8.5313 8.5313 8.6009 8.6009 9.1919 9.1919 9.4155 9.4155 9.9179 9.9179 10.0923 10.0923 10.5709 10.5709 10.5910 10.5910 10.8191 10.8191 10.9607 10.9607 14.9858 14.9858 16.8842 16.8842 16.9909 16.9909 17.5929 17.5929 17.6600 17.6600 17.8894 17.8894 k = 0.4224 0.5702 0.1107 ( 4852 PWs) bands (ev): -13.7017 -13.7017 -13.6174 -13.6174 -6.6216 -6.6216 -6.0562 -6.0562 -5.7723 -5.7723 -5.2004 -5.2004 -5.1604 -5.1604 -4.8442 -4.8442 -0.2952 -0.2952 -0.1760 -0.1760 1.3792 1.3792 1.5715 1.5715 1.6979 1.6979 1.9083 1.9083 6.2231 6.2231 6.5152 6.5152 6.6605 6.6605 6.9436 6.9436 7.6376 7.6376 7.6958 7.6958 8.0324 8.0324 8.4512 8.4512 8.5102 8.5102 8.6048 8.6048 9.2451 9.2451 9.4701 9.4701 9.8841 9.8841 10.0712 10.0712 10.5438 10.5438 10.5899 10.5899 10.7649 10.7649 10.9220 10.9220 15.0568 15.0568 16.8603 16.8603 16.9774 16.9774 17.5720 17.5720 17.6408 17.6408 17.8523 17.8523 k = 0.4138 0.5790 0.1230 ( 4852 PWs) bands (ev): -13.6988 -13.6988 -13.6204 -13.6204 -6.6021 -6.6021 -6.0660 -6.0660 -5.7621 -5.7621 -5.2118 -5.2118 -5.1682 -5.1682 -4.8530 -4.8530 -0.2937 -0.2937 -0.1790 -0.1790 1.3877 1.3877 1.5678 1.5678 1.6945 1.6945 1.8996 1.8996 6.2603 6.2603 6.5647 6.5647 6.6553 6.6553 6.9840 6.9840 7.6560 7.6560 7.7264 7.7264 7.9427 7.9427 8.4268 8.4268 8.4915 8.4915 8.6092 8.6092 9.2987 9.2987 9.5216 9.5216 9.8468 9.8468 10.0489 10.0489 10.5064 10.5064 10.5940 10.5940 10.7053 10.7053 10.8850 10.8850 15.1337 15.1337 16.8351 16.8351 16.9617 16.9617 17.5499 17.5499 17.6210 17.6210 17.8086 17.8086 k = 0.4052 0.5878 0.1353 ( 4860 PWs) bands (ev): -13.6956 -13.6956 -13.6238 -13.6238 -6.5807 -6.5807 -6.0762 -6.0762 -5.7508 -5.7508 -5.2243 -5.2243 -5.1770 -5.1770 -4.8623 -4.8623 -0.2922 -0.2922 -0.1827 -0.1827 1.3965 1.3965 1.5627 1.5627 1.6912 1.6912 1.8905 1.8905 6.3010 6.3010 6.6190 6.6190 6.6497 6.6497 7.0282 7.0282 7.6761 7.6761 7.7596 7.7596 7.8547 7.8547 8.4015 8.4015 8.4742 8.4742 8.6134 8.6134 9.3525 9.3525 9.5702 9.5702 9.8065 9.8065 10.0252 10.0252 10.4627 10.4627 10.5993 10.5993 10.6410 10.6410 10.8506 10.8506 15.2159 15.2159 16.8085 16.8085 16.9433 16.9433 17.5270 17.5270 17.6012 17.6012 17.7584 17.7584 k = 0.3965 0.5966 0.1476 ( 4852 PWs) bands (ev): -13.6922 -13.6922 -13.6274 -13.6274 -6.5573 -6.5573 -6.0867 -6.0867 -5.7385 -5.7385 -5.2381 -5.2381 -5.1867 -5.1867 -4.8721 -4.8721 -0.2908 -0.2908 -0.1872 -0.1872 1.4053 1.4053 1.5562 1.5562 1.6882 1.6882 1.8811 1.8811 6.3452 6.3452 6.6438 6.6438 6.6778 6.6778 7.0761 7.0761 7.6972 7.6972 7.7665 7.7665 7.7983 7.7983 8.3761 8.3761 8.4578 8.4578 8.6168 8.6168 9.4063 9.4063 9.6159 9.6159 9.7641 9.7641 9.9996 9.9996 10.4141 10.4141 10.5726 10.5726 10.6060 10.6060 10.8190 10.8190 15.3027 15.3027 16.7804 16.7804 16.9215 16.9215 17.5040 17.5040 17.5820 17.5820 17.7024 17.7024 k = 0.3879 0.6053 0.1599 ( 4844 PWs) bands (ev): -13.6885 -13.6885 -13.6314 -13.6314 -6.5321 -6.5321 -6.0973 -6.0973 -5.7252 -5.7252 -5.2528 -5.2528 -5.1974 -5.1974 -4.8822 -4.8822 -0.2897 -0.2897 -0.1927 -0.1927 1.4138 1.4138 1.5482 1.5482 1.6858 1.6858 1.8715 1.8715 6.3927 6.3927 6.6378 6.6378 6.7410 6.7410 7.1274 7.1274 7.6788 7.6788 7.7261 7.7261 7.8354 7.8354 8.3510 8.3510 8.4422 8.4422 8.6188 8.6188 9.4597 9.4597 9.6589 9.6589 9.7205 9.7205 9.9713 9.9713 10.3619 10.3619 10.5022 10.5022 10.6128 10.6128 10.7898 10.7898 15.3936 15.3936 16.7502 16.7502 16.8960 16.8960 17.4813 17.4813 17.5637 17.5637 17.6417 17.6417 k = 0.3793 0.6141 0.1722 ( 4852 PWs) bands (ev): -13.6846 -13.6846 -13.6357 -13.6357 -6.5051 -6.5051 -6.1079 -6.1079 -5.7109 -5.7109 -5.2686 -5.2686 -5.2091 -5.2091 -4.8926 -4.8926 -0.2890 -0.2890 -0.1990 -0.1990 1.4214 1.4214 1.5387 1.5387 1.6839 1.6839 1.8617 1.8617 6.4434 6.4434 6.6317 6.6317 6.8084 6.8084 7.1820 7.1820 7.5999 7.5999 7.7498 7.7498 7.8761 7.8761 8.3265 8.3265 8.4273 8.4273 8.6188 8.6188 9.5120 9.5120 9.6760 9.6760 9.6999 9.6999 9.9394 9.9394 10.3076 10.3076 10.4307 10.4307 10.6203 10.6203 10.7628 10.7628 15.4880 15.4880 16.7176 16.7176 16.8661 16.8661 17.4596 17.4596 17.5430 17.5430 17.5809 17.5809 k = 0.3707 0.6229 0.1845 ( 4848 PWs) bands (ev): -13.6804 -13.6804 -13.6402 -13.6402 -6.4764 -6.4764 -6.1183 -6.1183 -5.6957 -5.6957 -5.2853 -5.2853 -5.2218 -5.2218 -4.9032 -4.9032 -0.2888 -0.2888 -0.2062 -0.2062 1.4274 1.4274 1.5282 1.5282 1.6828 1.6828 1.8515 1.8515 6.4974 6.4974 6.6256 6.6256 6.8798 6.8798 7.2396 7.2396 7.5228 7.5228 7.7770 7.7770 7.9192 7.9192 8.3025 8.3025 8.4133 8.4133 8.6162 8.6162 9.5590 9.5590 9.6364 9.6364 9.7375 9.7375 9.9029 9.9029 10.2533 10.2533 10.3598 10.3598 10.6286 10.6286 10.7376 10.7376 15.5853 15.5853 16.6819 16.6819 16.8315 16.8315 17.4387 17.4387 17.4951 17.4951 17.5470 17.5470 k = 0.3707 0.6229 0.1845 ( 4848 PWs) bands (ev): -13.6804 -13.6804 -13.6402 -13.6402 -6.4764 -6.4764 -6.1183 -6.1183 -5.6957 -5.6957 -5.2853 -5.2853 -5.2218 -5.2218 -4.9032 -4.9032 -0.2888 -0.2888 -0.2062 -0.2062 1.4274 1.4274 1.5282 1.5282 1.6828 1.6828 1.8515 1.8515 6.4974 6.4974 6.6256 6.6256 6.8798 6.8798 7.2396 7.2396 7.5228 7.5228 7.7770 7.7770 7.9192 7.9192 8.3025 8.3025 8.4133 8.4133 8.6162 8.6162 9.5590 9.5590 9.6364 9.6364 9.7375 9.7375 9.9029 9.9029 10.2533 10.2533 10.3598 10.3598 10.6286 10.6286 10.7376 10.7376 15.5853 15.5853 16.6819 16.6819 16.8315 16.8315 17.4387 17.4387 17.4951 17.4951 17.5470 17.5470 k = 0.3558 0.6180 0.1914 ( 4850 PWs) bands (ev): -13.6782 -13.6782 -13.6428 -13.6428 -6.4591 -6.4591 -6.1231 -6.1231 -5.6870 -5.6870 -5.2948 -5.2948 -5.2293 -5.2293 -4.9103 -4.9103 -0.2897 -0.2897 -0.2108 -0.2108 1.4283 1.4283 1.5214 1.5214 1.6829 1.6829 1.8457 1.8457 6.5297 6.5297 6.6253 6.6253 6.9214 6.9214 7.2731 7.2731 7.4824 7.4824 7.7938 7.7938 7.9452 7.9452 8.2897 8.2897 8.4056 8.4056 8.6147 8.6147 9.5728 9.5728 9.6269 9.6269 9.7580 9.7580 9.8806 9.8806 10.2234 10.2234 10.3210 10.3210 10.6289 10.6289 10.7240 10.7240 15.6403 15.6403 16.6597 16.6597 16.8099 16.8099 17.4235 17.4235 17.4596 17.4596 17.5373 17.5373 k = 0.3410 0.6131 0.1983 ( 4850 PWs) bands (ev): -13.6762 -13.6762 -13.6453 -13.6453 -6.4402 -6.4402 -6.1261 -6.1261 -5.6782 -5.6782 -5.3044 -5.3044 -5.2370 -5.2370 -4.9197 -4.9197 -0.2920 -0.2920 -0.2162 -0.2162 1.4253 1.4253 1.5130 1.5130 1.6842 1.6842 1.8400 1.8400 6.5640 6.5640 6.6311 6.6311 6.9638 6.9638 7.3076 7.3076 7.4456 7.4456 7.8124 7.8124 7.9738 7.9738 8.2776 8.2776 8.3977 8.3977 8.6148 8.6148 9.5636 9.5636 9.6416 9.6416 9.7778 9.7778 9.8576 9.8576 10.1943 10.1943 10.2836 10.2836 10.6203 10.6203 10.7106 10.7106 15.6948 15.6948 16.6352 16.6352 16.7868 16.7868 17.3989 17.3989 17.4286 17.4286 17.5253 17.5253 k = 0.3262 0.6082 0.2052 ( 4858 PWs) bands (ev): -13.6744 -13.6744 -13.6477 -13.6477 -6.4199 -6.4199 -6.1272 -6.1272 -5.6695 -5.6695 -5.3139 -5.3139 -5.2451 -5.2451 -4.9315 -4.9315 -0.2957 -0.2957 -0.2223 -0.2223 1.4188 1.4188 1.5029 1.5029 1.6868 1.6868 1.8346 1.8346 6.5999 6.5999 6.6430 6.6430 7.0070 7.0070 7.3429 7.3429 7.4124 7.4124 7.8327 7.8327 8.0047 8.0047 8.2663 8.2663 8.3896 8.3896 8.6159 8.6159 9.5441 9.5441 9.6676 9.6676 9.7948 9.7948 9.8359 9.8359 10.1665 10.1665 10.2481 10.2481 10.6031 10.6031 10.6973 10.6973 15.7487 15.7487 16.6090 16.6090 16.7626 16.7626 17.3652 17.3652 17.4025 17.4025 17.5101 17.5101 k = 0.3114 0.6032 0.2121 ( 4858 PWs) bands (ev): -13.6729 -13.6729 -13.6500 -13.6500 -6.3982 -6.3982 -6.1264 -6.1264 -5.6607 -5.6607 -5.3235 -5.3235 -5.2535 -5.2535 -4.9455 -4.9455 -0.3004 -0.3004 -0.2292 -0.2292 1.4091 1.4091 1.4909 1.4909 1.6909 1.6909 1.8296 1.8296 6.6366 6.6366 6.6609 6.6609 7.0508 7.0508 7.3783 7.3783 7.3837 7.3837 7.8543 7.8543 8.0374 8.0374 8.2558 8.2558 8.3814 8.3814 8.6176 8.6176 9.5228 9.5228 9.6962 9.6962 9.7946 9.7946 9.8293 9.8293 10.1408 10.1408 10.2147 10.2147 10.5775 10.5775 10.6840 10.6840 15.8019 15.8019 16.5818 16.5818 16.7376 16.7376 17.3283 17.3283 17.3757 17.3757 17.4915 17.4915 k = 0.2965 0.5983 0.2190 ( 4857 PWs) bands (ev): -13.6716 -13.6716 -13.6521 -13.6521 -6.3752 -6.3752 -6.1238 -6.1238 -5.6520 -5.6520 -5.3331 -5.3331 -5.2624 -5.2624 -4.9616 -4.9616 -0.3061 -0.3061 -0.2368 -0.2368 1.3968 1.3968 1.4771 1.4771 1.6963 1.6963 1.8251 1.8251 6.6738 6.6738 6.6847 6.6847 7.0952 7.0952 7.3570 7.3570 7.4162 7.4162 7.8770 7.8770 8.0715 8.0715 8.2462 8.2462 8.3730 8.3730 8.6197 8.6197 9.5017 9.5017 9.7240 9.7240 9.7728 9.7728 9.8428 9.8428 10.1178 10.1178 10.1841 10.1841 10.5441 10.5441 10.6707 10.6707 15.8543 15.8543 16.5539 16.5539 16.7121 16.7121 17.2908 17.2908 17.3460 17.3460 17.4696 17.4696 k = 0.2817 0.5934 0.2259 ( 4858 PWs) bands (ev): -13.6705 -13.6705 -13.6541 -13.6541 -6.3510 -6.3510 -6.1194 -6.1194 -5.6432 -5.6432 -5.3426 -5.3426 -5.2718 -5.2718 -4.9797 -4.9797 -0.3126 -0.3126 -0.2451 -0.2451 1.3823 1.3823 1.4618 1.4618 1.7026 1.7026 1.8213 1.8213 6.7105 6.7105 6.7144 6.7144 7.1401 7.1401 7.3351 7.3351 7.4538 7.4538 7.9005 7.9005 8.1061 8.1061 8.2377 8.2377 8.3646 8.3646 8.6215 8.6215 9.4816 9.4816 9.7312 9.7312 9.7656 9.7656 9.8588 9.8588 10.0981 10.0981 10.1567 10.1567 10.5032 10.5032 10.6573 10.6573 15.9055 15.9055 16.5258 16.5258 16.6864 16.6864 17.2530 17.2530 17.3133 17.3133 17.4446 17.4446 k = 0.2669 0.5885 0.2328 ( 4854 PWs) bands (ev): -13.6696 -13.6696 -13.6560 -13.6560 -6.3256 -6.3256 -6.1132 -6.1132 -5.6345 -5.6345 -5.3523 -5.3523 -5.2817 -5.2817 -4.9997 -4.9997 -0.3197 -0.3197 -0.2541 -0.2541 1.3662 1.3662 1.4452 1.4452 1.7096 1.7096 1.8182 1.8182 6.7462 6.7462 6.7498 6.7498 7.1850 7.1850 7.3173 7.3173 7.4922 7.4922 7.9246 7.9246 8.1399 8.1399 8.2309 8.2309 8.3562 8.3562 8.6229 8.6229 9.4627 9.4627 9.7026 9.7026 9.7906 9.7906 9.8736 9.8736 10.0822 10.0822 10.1330 10.1330 10.4558 10.4558 10.6438 10.6438 15.9555 15.9555 16.4980 16.4980 16.6607 16.6607 17.2145 17.2145 17.2785 17.2785 17.4167 17.4167 k = 0.2521 0.5836 0.2396 ( 4860 PWs) bands (ev): -13.6689 -13.6689 -13.6578 -13.6578 -6.2993 -6.2993 -6.1053 -6.1053 -5.6257 -5.6257 -5.3620 -5.3620 -5.2921 -5.2921 -5.0214 -5.0214 -0.3273 -0.3273 -0.2636 -0.2636 1.3489 1.3489 1.4274 1.4274 1.7170 1.7170 1.8157 1.8157 6.7831 6.7831 6.7879 6.7879 7.2293 7.2293 7.3047 7.3047 7.5311 7.5311 7.9489 7.9489 8.1700 8.1700 8.2278 8.2278 8.3478 8.3478 8.6235 8.6235 9.4454 9.4454 9.6674 9.6674 9.8186 9.8186 9.8866 9.8866 10.0702 10.0702 10.1134 10.1134 10.4025 10.4025 10.6303 10.6303 16.0040 16.0040 16.4710 16.4710 16.6352 16.6352 17.1744 17.1744 17.2430 17.2430 17.3861 17.3861 k = 0.2372 0.5787 0.2465 ( 4854 PWs) bands (ev): -13.6684 -13.6684 -13.6595 -13.6595 -6.2721 -6.2721 -6.0957 -6.0957 -5.6170 -5.6170 -5.3718 -5.3718 -5.3032 -5.3032 -5.0447 -5.0447 -0.3353 -0.3353 -0.2736 -0.2736 1.3310 1.3310 1.4089 1.4089 1.7246 1.7246 1.8137 1.8137 6.8189 6.8189 6.8301 6.8301 7.2674 7.2674 7.3029 7.3029 7.5704 7.5704 7.9731 7.9731 8.1887 8.1887 8.2352 8.2352 8.3395 8.3395 8.6229 8.6229 9.4298 9.4298 9.6291 9.6291 9.8457 9.8457 9.8978 9.8978 10.0617 10.0617 10.0984 10.0984 10.3447 10.3447 10.6166 10.6166 16.0508 16.0508 16.4452 16.4452 16.6103 16.6103 17.1315 17.1315 17.2088 17.2088 17.3533 17.3533 k = 0.2224 0.5738 0.2534 ( 4845 PWs) bands (ev): -13.6680 -13.6680 -13.6610 -13.6610 -6.2441 -6.2441 -6.0845 -6.0845 -5.6083 -5.6083 -5.3818 -5.3818 -5.3148 -5.3148 -5.0694 -5.0694 -0.3434 -0.3434 -0.2839 -0.2839 1.3128 1.3128 1.3897 1.3897 1.7323 1.7323 1.8124 1.8124 6.8529 6.8529 6.8758 6.8758 7.2793 7.2793 7.3325 7.3325 7.6101 7.6101 7.9970 7.9970 8.1920 8.1920 8.2559 8.2559 8.3315 8.3315 8.6210 8.6210 9.4158 9.4158 9.5883 9.5883 9.8709 9.8709 9.9077 9.9077 10.0556 10.0556 10.0883 10.0883 10.2841 10.2841 10.6028 10.6028 16.0955 16.0955 16.4210 16.4210 16.5863 16.5863 17.0851 17.0851 17.1770 17.1770 17.3185 17.3185 k = 0.2076 0.5689 0.2603 ( 4842 PWs) bands (ev): -13.6678 -13.6678 -13.6624 -13.6624 -6.2154 -6.2154 -6.0718 -6.0718 -5.5995 -5.5995 -5.3919 -5.3919 -5.3270 -5.3270 -5.0952 -5.0952 -0.3515 -0.3515 -0.2945 -0.2945 1.2948 1.2948 1.3702 1.3702 1.7398 1.7398 1.8115 1.8115 6.8854 6.8854 6.9231 6.9231 7.2829 7.2829 7.3765 7.3765 7.6499 7.6499 8.0202 8.0202 8.1890 8.1890 8.2790 8.2790 8.3251 8.3251 8.6174 8.6174 9.4034 9.4034 9.5456 9.5456 9.8925 9.8925 9.9176 9.9176 10.0507 10.0507 10.0819 10.0819 10.2237 10.2237 10.5890 10.5890 16.1378 16.1378 16.3990 16.3990 16.5634 16.5634 17.0356 17.0356 17.1481 17.1481 17.2820 17.2820 k = 0.1927 0.5639 0.2672 ( 4851 PWs) bands (ev): -13.6677 -13.6677 -13.6637 -13.6637 -6.1863 -6.1863 -6.0577 -6.0577 -5.5909 -5.5909 -5.4023 -5.4023 -5.3397 -5.3397 -5.1221 -5.1221 -0.3596 -0.3596 -0.3052 -0.3052 1.2772 1.2772 1.3505 1.3505 1.7471 1.7471 1.8110 1.8110 6.9162 6.9162 6.9699 6.9699 7.2920 7.2920 7.4226 7.4226 7.6897 7.6897 8.0426 8.0426 8.1847 8.1847 8.2933 8.2933 8.3256 8.3256 8.6118 8.6118 9.3917 9.3917 9.5014 9.5014 9.9083 9.9083 9.9295 9.9295 10.0460 10.0460 10.0752 10.0752 10.1703 10.1703 10.5750 10.5750 16.1770 16.1770 16.3796 16.3796 16.5422 16.5422 16.9838 16.9838 17.1219 17.1219 17.2443 17.2443 k = 0.1779 0.5590 0.2741 ( 4845 PWs) bands (ev): -13.6677 -13.6677 -13.6649 -13.6649 -6.1569 -6.1569 -6.0423 -6.0423 -5.5823 -5.5823 -5.4129 -5.4129 -5.3528 -5.3528 -5.1496 -5.1496 -0.3674 -0.3674 -0.3159 -0.3159 1.2602 1.2602 1.3310 1.3310 1.7542 1.7542 1.8108 1.8108 6.9452 6.9452 7.0134 7.0134 7.3103 7.3103 7.4693 7.4693 7.7292 7.7292 8.0638 8.0638 8.1803 8.1803 8.2917 8.2917 8.3387 8.3387 8.6042 8.6042 9.3795 9.3795 9.4566 9.4566 9.9182 9.9182 9.9409 9.9409 10.0364 10.0364 10.0617 10.0617 10.1386 10.1386 10.5609 10.5609 16.2124 16.2124 16.3632 16.3632 16.5231 16.5231 16.9307 16.9307 17.0981 17.0981 17.2058 17.2058 k = 0.1631 0.5541 0.2810 ( 4849 PWs) bands (ev): -13.6678 -13.6678 -13.6660 -13.6660 -6.1273 -6.1273 -6.0258 -6.0258 -5.5738 -5.5738 -5.4239 -5.4239 -5.3663 -5.3663 -5.1777 -5.1777 -0.3749 -0.3749 -0.3265 -0.3265 1.2443 1.2443 1.3118 1.3118 1.7609 1.7609 1.8108 1.8108 6.9724 6.9724 7.0504 7.0504 7.3406 7.3406 7.5162 7.5162 7.7680 7.7680 8.0835 8.0835 8.1763 8.1763 8.2830 8.2830 8.3550 8.3550 8.5941 8.5941 9.3638 9.3638 9.4125 9.4125 9.9228 9.9228 9.9421 9.9421 10.0171 10.0171 10.0537 10.0537 10.1327 10.1327 10.5466 10.5466 16.2429 16.2429 16.3508 16.3508 16.5066 16.5066 16.8772 16.8772 17.0764 17.0764 17.1671 17.1671 k = 0.1483 0.5492 0.2878 ( 4848 PWs) bands (ev): -13.6679 -13.6679 -13.6669 -13.6669 -6.0978 -6.0978 -6.0084 -6.0084 -5.5655 -5.5655 -5.4353 -5.4353 -5.3798 -5.3798 -5.2059 -5.2059 -0.3819 -0.3819 -0.3368 -0.3368 1.2294 1.2294 1.2931 1.2931 1.7672 1.7672 1.8110 1.8110 6.9976 6.9976 7.0792 7.0792 7.3840 7.3840 7.5632 7.5632 7.8058 7.8058 8.1012 8.1012 8.1733 8.1733 8.2719 8.2719 8.3697 8.3697 8.5817 8.5817 9.3389 9.3389 9.3727 9.3727 9.9049 9.9049 9.9400 9.9400 10.0133 10.0133 10.0519 10.0519 10.1391 10.1391 10.5321 10.5321 16.2670 16.2670 16.3432 16.3432 16.4935 16.4935 16.8243 16.8243 17.0565 17.0565 17.1289 17.1289 k = 0.1334 0.5443 0.2947 ( 4850 PWs) bands (ev): -13.6681 -13.6681 -13.6677 -13.6677 -6.0685 -6.0685 -5.9903 -5.9903 -5.5576 -5.5576 -5.4470 -5.4470 -5.3933 -5.3933 -5.2340 -5.2340 -0.3883 -0.3883 -0.3468 -0.3468 1.2160 1.2160 1.2752 1.2752 1.7731 1.7731 1.8112 1.8112 7.0209 7.0209 7.1001 7.1001 7.4393 7.4393 7.6101 7.6101 7.8421 7.8421 8.1158 8.1158 8.1722 8.1722 8.2592 8.2592 8.3819 8.3819 8.5669 8.5669 9.3013 9.3013 9.3385 9.3385 9.8706 9.8706 9.9455 9.9455 10.0223 10.0223 10.0515 10.0515 10.1507 10.1507 10.5172 10.5172 16.2829 16.2829 16.3417 16.3417 16.4842 16.4842 16.7727 16.7727 17.0381 17.0381 17.0919 17.0919 k = 0.1186 0.5394 0.3016 ( 4850 PWs) bands (ev): -13.6684 -13.6684 -13.6684 -13.6684 -6.0398 -6.0398 -5.9718 -5.9718 -5.5501 -5.5501 -5.4591 -5.4591 -5.4064 -5.4064 -5.2615 -5.2615 -0.3940 -0.3940 -0.3564 -0.3564 1.2040 1.2040 1.2582 1.2582 1.7786 1.7786 1.8114 1.8114 7.0422 7.0422 7.1147 7.1147 7.5039 7.5039 7.6569 7.6569 7.8765 7.8765 8.1253 8.1253 8.1748 8.1748 8.2453 8.2453 8.3917 8.3917 8.5502 8.5502 9.2575 9.2575 9.3015 9.3015 9.8418 9.8418 9.9515 9.9515 10.0345 10.0345 10.0514 10.0514 10.1655 10.1655 10.5017 10.5017 16.2911 16.2911 16.3454 16.3454 16.4789 16.4789 16.7232 16.7232 17.0211 17.0211 17.0570 17.0570 k = 0.1038 0.5345 0.3085 ( 4843 PWs) bands (ev): -13.6690 -13.6690 -13.6687 -13.6687 -6.0119 -6.0119 -5.9534 -5.9534 -5.5434 -5.5434 -5.4712 -5.4712 -5.4188 -5.4188 -5.2882 -5.2882 -0.3989 -0.3989 -0.3654 -0.3654 1.1937 1.1937 1.2423 1.2423 1.7836 1.7836 1.8116 1.8116 7.0613 7.0613 7.1250 7.1250 7.5745 7.5745 7.7035 7.7035 7.9084 7.9084 8.1282 8.1282 8.1823 8.1823 8.2305 8.2305 8.3990 8.3990 8.5319 8.5319 9.2126 9.2126 9.2572 9.2572 9.8241 9.8241 9.9561 9.9561 10.0459 10.0459 10.0524 10.0524 10.1827 10.1827 10.4855 10.4855 16.2954 16.2954 16.3509 16.3509 16.4767 16.4767 16.6765 16.6765 17.0052 17.0052 17.0254 17.0254 k = 0.0890 0.5296 0.3154 ( 4840 PWs) bands (ev): -13.6695 -13.6695 -13.6690 -13.6690 -5.9853 -5.9853 -5.9355 -5.9355 -5.5380 -5.5380 -5.4832 -5.4832 -5.4297 -5.4297 -5.3136 -5.3136 -0.4030 -0.4030 -0.3738 -0.3738 1.1850 1.1850 1.2276 1.2276 1.7882 1.7882 1.8116 1.8116 7.0785 7.0785 7.1324 7.1324 7.6482 7.6482 7.7501 7.7501 7.9373 7.9373 8.1255 8.1255 8.1929 8.1929 8.2154 8.2154 8.4036 8.4036 8.5126 8.5126 9.1685 9.1685 9.2066 9.2066 9.8178 9.8178 9.9581 9.9581 10.0508 10.0508 10.0596 10.0596 10.2019 10.2019 10.4685 10.4685 16.2993 16.2993 16.3558 16.3558 16.4761 16.4761 16.6334 16.6334 16.9891 16.9891 16.9992 16.9992 k = 0.0741 0.5246 0.3223 ( 4846 PWs) bands (ev): -13.6699 -13.6699 -13.6693 -13.6693 -5.9603 -5.9603 -5.9188 -5.9188 -5.5345 -5.5345 -5.4946 -5.4946 -5.4384 -5.4384 -5.3373 -5.3373 -0.4061 -0.4061 -0.3814 -0.3814 1.1782 1.1782 1.2144 1.2144 1.7924 1.7924 1.8114 1.8114 7.0935 7.0935 7.1375 7.1375 7.7215 7.7215 7.7972 7.7972 7.9626 7.9626 8.1185 8.1185 8.1977 8.1977 8.2077 8.2077 8.4051 8.4051 8.4928 8.4928 9.1261 9.1261 9.1540 9.1540 9.8206 9.8206 9.9564 9.9564 10.0535 10.0535 10.0685 10.0685 10.2229 10.2229 10.4504 10.4504 16.3044 16.3044 16.3598 16.3598 16.4751 16.4751 16.5946 16.5946 16.9706 16.9706 16.9813 16.9813 k = 0.0593 0.5197 0.3292 ( 4850 PWs) bands (ev): -13.6701 -13.6701 -13.6696 -13.6696 -5.9376 -5.9376 -5.9040 -5.9040 -5.5336 -5.5336 -5.5050 -5.5050 -5.4435 -5.4435 -5.3590 -5.3590 -0.4082 -0.4082 -0.3883 -0.3883 1.1733 1.1733 1.2027 1.2027 1.7961 1.7961 1.8111 1.8111 7.1064 7.1064 7.1408 7.1408 7.7898 7.7898 7.8463 7.8463 7.9836 7.9836 8.1076 8.1076 8.1868 8.1868 8.2169 8.2169 8.4035 8.4035 8.4729 8.4729 9.0862 9.0862 9.1047 9.1047 9.8302 9.8302 9.9506 9.9506 10.0576 10.0576 10.0754 10.0754 10.2454 10.2454 10.4311 10.4311 16.3113 16.3113 16.3632 16.3632 16.4725 16.4725 16.5606 16.5606 16.9539 16.9539 16.9683 16.9683 k = 0.0445 0.5148 0.3361 ( 4856 PWs) bands (ev): -13.6703 -13.6703 -13.6698 -13.6698 -5.9177 -5.9177 -5.8921 -5.8921 -5.5349 -5.5349 -5.5145 -5.5145 -5.4443 -5.4443 -5.3785 -5.3785 -0.4094 -0.4094 -0.3943 -0.3943 1.1703 1.1703 1.1926 1.1926 1.7993 1.7993 1.8104 1.8104 7.1172 7.1172 7.1425 7.1425 7.8475 7.8475 7.8984 7.8984 7.9995 7.9995 8.0929 8.0929 8.1791 8.1791 8.2242 8.2242 8.3995 8.3995 8.4528 8.4528 9.0498 9.0498 9.0638 9.0638 9.8441 9.8441 9.9410 9.9410 10.0630 10.0630 10.0798 10.0798 10.2691 10.2691 10.4107 10.4107 16.3199 16.3199 16.3654 16.3654 16.4689 16.4689 16.5320 16.5320 16.9421 16.9421 16.9573 16.9573 k = 0.0297 0.5099 0.3429 ( 4852 PWs) bands (ev): -13.6704 -13.6704 -13.6701 -13.6701 -5.9013 -5.9013 -5.8839 -5.8839 -5.5366 -5.5366 -5.5230 -5.5230 -5.4407 -5.4407 -5.3957 -5.3957 -0.4095 -0.4095 -0.3993 -0.3993 1.1692 1.1692 1.1842 1.1842 1.8022 1.8022 1.8095 1.8095 7.1261 7.1261 7.1427 7.1427 7.8938 7.8938 7.9464 7.9464 8.0103 8.0103 8.0760 8.0760 8.1786 8.1786 8.2255 8.2255 8.3956 8.3956 8.4329 8.4329 9.0211 9.0211 9.0330 9.0330 9.8606 9.8606 9.9281 9.9281 10.0687 10.0687 10.0817 10.0817 10.2935 10.2935 10.3890 10.3890 16.3300 16.3300 16.3648 16.3648 16.4665 16.4665 16.5087 16.5087 16.9355 16.9355 16.9480 16.9480 k = 0.0148 0.5050 0.3498 ( 4853 PWs) bands (ev): -13.6704 -13.6704 -13.6702 -13.6702 -5.8892 -5.8892 -5.8804 -5.8804 -5.5370 -5.5370 -5.5300 -5.5300 -5.4334 -5.4334 -5.4107 -5.4107 -0.4085 -0.4085 -0.4034 -0.4034 1.1701 1.1701 1.1776 1.1776 1.8046 1.8046 1.8082 1.8082 7.1330 7.1330 7.1412 7.1412 7.9314 7.9314 7.9703 7.9703 8.0228 8.0228 8.0594 8.0594 8.1872 8.1872 8.2180 8.2180 8.3953 8.3953 8.4149 8.4149 9.0047 9.0047 9.0121 9.0121 9.8782 9.8782 9.9128 9.9128 10.0741 10.0741 10.0811 10.0811 10.3181 10.3181 10.3662 10.3662 16.3409 16.3409 16.3602 16.3602 16.4686 16.4686 16.4902 16.4902 16.9335 16.9335 16.9405 16.9405 k = 0.0000 0.5001 0.3567 ( 4844 PWs) bands (ev): -13.6704 -13.6704 -13.6704 -13.6704 -5.8822 -5.8822 -5.8822 -5.8822 -5.5349 -5.5349 -5.5348 -5.5348 -5.4233 -5.4233 -5.4233 -5.4233 -0.4065 -0.4065 -0.4065 -0.4065 1.1729 1.1729 1.1729 1.1729 1.8066 1.8066 1.8066 1.8066 7.1380 7.1380 7.1380 7.1380 7.9597 7.9597 7.9597 7.9597 8.0422 8.0422 8.0422 8.0422 8.2028 8.2028 8.2029 8.2029 8.4017 8.4017 8.4017 8.4017 9.0020 9.0020 9.0020 9.0020 9.8959 9.8959 9.8959 9.8959 10.0784 10.0784 10.0784 10.0784 10.3424 10.3424 10.3424 10.3424 16.3516 16.3516 16.3516 16.3516 16.4767 16.4767 16.4767 16.4767 16.9355 16.9355 16.9355 16.9355 k = 0.0000 0.5001 0.3567 ( 4844 PWs) bands (ev): -13.6704 -13.6704 -13.6704 -13.6704 -5.8822 -5.8822 -5.8822 -5.8822 -5.5349 -5.5349 -5.5348 -5.5348 -5.4233 -5.4233 -5.4233 -5.4233 -0.4065 -0.4065 -0.4065 -0.4065 1.1729 1.1729 1.1729 1.1729 1.8066 1.8066 1.8066 1.8066 7.1380 7.1380 7.1380 7.1380 7.9597 7.9597 7.9597 7.9597 8.0422 8.0422 8.0422 8.0422 8.2028 8.2028 8.2029 8.2029 8.4017 8.4017 8.4017 8.4017 9.0020 9.0020 9.0020 9.0020 9.8959 9.8959 9.8959 9.8959 10.0784 10.0784 10.0784 10.0784 10.3424 10.3424 10.3424 10.3424 16.3516 16.3516 16.3516 16.3516 16.4767 16.4767 16.4767 16.4767 16.9355 16.9355 16.9355 16.9355 k = 0.0086 0.4913 0.3690 ( 4850 PWs) bands (ev): -13.6703 -13.6703 -13.6703 -13.6703 -5.8858 -5.8858 -5.8841 -5.8841 -5.5334 -5.5334 -5.5333 -5.5333 -5.4233 -5.4233 -5.4212 -5.4212 -0.4062 -0.4062 -0.4054 -0.4054 1.1727 1.1727 1.1751 1.1751 1.8050 1.8050 1.8081 1.8081 7.1370 7.1370 7.1377 7.1377 7.9429 7.9429 7.9438 7.9438 8.0438 8.0438 8.0489 8.0489 8.2015 8.2015 8.2061 8.2061 8.4052 8.4052 8.4069 8.4069 9.0075 9.0075 9.0090 9.0090 9.8936 9.8936 9.8954 9.8954 10.0765 10.0765 10.0774 10.0774 10.3428 10.3428 10.3429 10.3429 16.3496 16.3496 16.3505 16.3505 16.4792 16.4792 16.4804 16.4804 16.9358 16.9358 16.9379 16.9379 k = 0.0172 0.4825 0.3813 ( 4852 PWs) bands (ev): -13.6702 -13.6702 -13.6702 -13.6702 -5.8945 -5.8945 -5.8914 -5.8914 -5.5294 -5.5294 -5.5289 -5.5289 -5.4211 -5.4211 -5.4168 -5.4168 -0.4045 -0.4045 -0.4029 -0.4029 1.1747 1.1747 1.1795 1.1795 1.8032 1.8032 1.8094 1.8094 7.1347 7.1347 7.1360 7.1360 7.9019 7.9019 7.9043 7.9043 8.0484 8.0484 8.0569 8.0569 8.2016 8.2016 8.2101 8.2101 8.4164 8.4164 8.4192 8.4192 9.0253 9.0253 9.0279 9.0279 9.8886 9.8886 9.8920 9.8920 10.0717 10.0717 10.0734 10.0734 10.3439 10.3439 10.3440 10.3440 16.3446 16.3446 16.3463 16.3463 16.4878 16.4878 16.4903 16.4903 16.9388 16.9388 16.9430 16.9430 k = 0.0259 0.4738 0.3936 ( 4848 PWs) bands (ev): -13.6700 -13.6700 -13.6700 -13.6700 -5.9078 -5.9078 -5.9034 -5.9034 -5.5239 -5.5239 -5.5228 -5.5228 -5.4163 -5.4163 -5.4097 -5.4097 -0.4015 -0.4015 -0.3992 -0.3992 1.1787 1.1787 1.1859 1.1859 1.8013 1.8013 1.8106 1.8106 7.1310 7.1310 7.1330 7.1330 7.8476 7.8476 7.8512 7.8512 8.0508 8.0508 8.0614 8.0614 8.2015 8.2015 8.2128 8.2128 8.4325 8.4325 8.4354 8.4354 9.0544 9.0544 9.0576 9.0576 9.8816 9.8816 9.8863 9.8863 10.0641 10.0641 10.0665 10.0665 10.3456 10.3456 10.3458 10.3458 16.3371 16.3371 16.3396 16.3396 16.5019 16.5019 16.5056 16.5056 16.9446 16.9446 16.9508 16.9508 k = 0.0345 0.4650 0.4059 ( 4850 PWs) bands (ev): -13.6697 -13.6697 -13.6697 -13.6697 -5.9246 -5.9246 -5.9193 -5.9193 -5.5183 -5.5183 -5.5163 -5.5163 -5.4085 -5.4085 -5.3997 -5.3997 -0.3972 -0.3972 -0.3941 -0.3941 1.1847 1.1847 1.1943 1.1943 1.7993 1.7993 1.8116 1.8116 7.1259 7.1259 7.1284 7.1284 7.7856 7.7856 7.7898 7.7898 8.0507 8.0507 8.0627 8.0627 8.2002 8.2002 8.2137 8.2137 8.4501 8.4501 8.4522 8.4522 9.0930 9.0930 9.0962 9.0962 9.8733 9.8733 9.8790 9.8790 10.0543 10.0543 10.0571 10.0571 10.3478 10.3478 10.3480 10.3480 16.3274 16.3274 16.3307 16.3307 16.5209 16.5209 16.5258 16.5258 16.9532 16.9532 16.9614 16.9614 k = 0.0431 0.4562 0.4182 ( 4846 PWs) bands (ev): -13.6694 -13.6694 -13.6694 -13.6694 -5.9441 -5.9441 -5.9381 -5.9381 -5.5136 -5.5136 -5.5108 -5.5108 -5.3970 -5.3970 -5.3864 -5.3864 -0.3916 -0.3916 -0.3878 -0.3878 1.1928 1.1928 1.2047 1.2047 1.7971 1.7971 1.8125 1.8125 7.1192 7.1192 7.1221 7.1221 7.7192 7.7192 7.7238 7.7238 8.0490 8.0490 8.0618 8.0618 8.1974 8.1974 8.2125 8.2125 8.4665 8.4665 8.4672 8.4672 9.1387 9.1387 9.1414 9.1414 9.8648 9.8648 9.8710 9.8710 10.0425 10.0425 10.0457 10.0457 10.3503 10.3503 10.3503 10.3503 16.3159 16.3159 16.3199 16.3199 16.5444 16.5444 16.5505 16.5505 16.9645 16.9645 16.9746 16.9746 k = 0.0517 0.4474 0.4305 ( 4842 PWs) bands (ev): -13.6690 -13.6690 -13.6690 -13.6690 -5.9655 -5.9655 -5.9590 -5.9590 -5.5104 -5.5104 -5.5069 -5.5069 -5.3821 -5.3821 -5.3701 -5.3701 -0.3849 -0.3849 -0.3803 -0.3803 1.2027 1.2027 1.2169 1.2169 1.7949 1.7949 1.8132 1.8132 7.1106 7.1106 7.1140 7.1140 7.6508 7.6508 7.6554 7.6554 8.0464 8.0464 8.0596 8.0596 8.1935 8.1935 8.2096 8.2096 8.4792 8.4792 8.4800 8.4800 9.1885 9.1885 9.1903 9.1903 9.8571 9.8571 9.8633 9.8633 10.0298 10.0298 10.0331 10.0331 10.3528 10.3528 10.3529 10.3529 16.3028 16.3028 16.3074 16.3074 16.5719 16.5719 16.5792 16.5792 16.9785 16.9785 16.9905 16.9905 k = 0.0603 0.4387 0.4428 ( 4842 PWs) bands (ev): -13.6685 -13.6685 -13.6685 -13.6685 -5.9882 -5.9882 -5.9814 -5.9814 -5.5087 -5.5087 -5.5049 -5.5049 -5.3642 -5.3642 -5.3512 -5.3512 -0.3771 -0.3771 -0.3718 -0.3718 1.2145 1.2145 1.2310 1.2310 1.7926 1.7926 1.8138 1.8138 7.1000 7.1000 7.1036 7.1036 7.5821 7.5821 7.5867 7.5867 8.0434 8.0434 8.0566 8.0566 8.1885 8.1885 8.2052 8.2052 8.4873 8.4873 8.4897 8.4897 9.2393 9.2393 9.2401 9.2401 9.8509 9.8509 9.8569 9.8569 10.0173 10.0173 10.0208 10.0208 10.3550 10.3550 10.3554 10.3554 16.2881 16.2881 16.2933 16.2933 16.6031 16.6031 16.6115 16.6115 16.9951 16.9951 17.0089 17.0089 k = 0.0690 0.4299 0.4551 ( 4844 PWs) bands (ev): -13.6680 -13.6680 -13.6679 -13.6679 -6.0116 -6.0116 -6.0047 -6.0047 -5.5083 -5.5083 -5.5044 -5.5044 -5.3439 -5.3439 -5.3305 -5.3305 -0.3683 -0.3683 -0.3623 -0.3623 1.2279 1.2279 1.2467 1.2467 1.7902 1.7902 1.8142 1.8142 7.0868 7.0868 7.0906 7.0906 7.5146 7.5146 7.5191 7.5191 8.0404 8.0404 8.0533 8.0533 8.1828 8.1828 8.1997 8.1997 8.4914 8.4914 8.4950 8.4950 9.2879 9.2879 9.2880 9.2880 9.8464 9.8464 9.8520 9.8520 10.0075 10.0075 10.0112 10.0112 10.3571 10.3571 10.3578 10.3578 16.2721 16.2721 16.2776 16.2776 16.6374 16.6374 16.6470 16.6470 17.0142 17.0142 17.0297 17.0297 k = 0.0776 0.4211 0.4674 ( 4838 PWs) bands (ev): -13.6674 -13.6674 -13.6673 -13.6673 -6.0354 -6.0354 -6.0284 -6.0284 -5.5091 -5.5091 -5.5053 -5.5053 -5.3222 -5.3222 -5.3086 -5.3086 -0.3586 -0.3586 -0.3521 -0.3521 1.2430 1.2430 1.2639 1.2639 1.7878 1.7878 1.8145 1.8145 7.0705 7.0705 7.0744 7.0744 7.4498 7.4498 7.4542 7.4542 8.0379 8.0379 8.0500 8.0500 8.1766 8.1766 8.1931 8.1931 8.4911 8.4911 8.4957 8.4957 9.3310 9.3310 9.3318 9.3318 9.8418 9.8418 9.8471 9.8471 10.0040 10.0040 10.0081 10.0081 10.3588 10.3588 10.3600 10.3600 16.2549 16.2549 16.2607 16.2607 16.6746 16.6746 16.6854 16.6854 17.0355 17.0355 17.0526 17.0526 k = 0.0862 0.4123 0.4797 ( 4842 PWs) bands (ev): -13.6667 -13.6667 -13.6667 -13.6667 -6.0593 -6.0593 -6.0524 -6.0524 -5.5108 -5.5108 -5.5071 -5.5071 -5.2995 -5.2995 -5.2859 -5.2859 -0.3482 -0.3482 -0.3411 -0.3411 1.2595 1.2595 1.2825 1.2825 1.7854 1.7854 1.8147 1.8147 7.0503 7.0503 7.0543 7.0543 7.3890 7.3890 7.3933 7.3933 8.0360 8.0360 8.0470 8.0470 8.1700 8.1700 8.1858 8.1858 8.4865 8.4865 8.4916 8.4916 9.3676 9.3676 9.3685 9.3685 9.8342 9.8342 9.8398 9.8398 10.0115 10.0115 10.0161 10.0161 10.3602 10.3602 10.3618 10.3618 16.2366 16.2366 16.2426 16.2426 16.7141 16.7141 16.7262 16.7262 17.0587 17.0587 17.0775 17.0775 k = 0.0948 0.4036 0.4920 ( 4842 PWs) bands (ev): -13.6661 -13.6661 -13.6660 -13.6660 -6.0829 -6.0829 -6.0761 -6.0761 -5.5132 -5.5132 -5.5096 -5.5096 -5.2764 -5.2764 -5.2630 -5.2630 -0.3371 -0.3371 -0.3296 -0.3296 1.2773 1.2773 1.3023 1.3023 1.7830 1.7830 1.8148 1.8148 7.0256 7.0256 7.0295 7.0295 7.3334 7.3334 7.3378 7.3378 8.0348 8.0348 8.0444 8.0444 8.1631 8.1631 8.1779 8.1779 8.4777 8.4777 8.4828 8.4828 9.3969 9.3969 9.3970 9.3970 9.8214 9.8214 9.8277 9.8277 10.0330 10.0330 10.0380 10.0380 10.3612 10.3612 10.3634 10.3634 16.2175 16.2175 16.2237 16.2237 16.7556 16.7556 16.7689 16.7689 17.0837 17.0837 17.1040 17.1040 k = 0.1034 0.3948 0.5043 ( 4842 PWs) bands (ev): -13.6654 -13.6654 -13.6653 -13.6653 -6.1061 -6.1061 -6.0995 -6.0995 -5.5160 -5.5160 -5.5127 -5.5127 -5.2533 -5.2533 -5.2401 -5.2401 -0.3256 -0.3256 -0.3176 -0.3176 1.2962 1.2962 1.3231 1.3231 1.7807 1.7807 1.8148 1.8148 6.9957 6.9957 6.9996 6.9996 7.2843 7.2843 7.2887 7.2887 8.0346 8.0346 8.0423 8.0423 8.1562 8.1562 8.1695 8.1695 8.4647 8.4647 8.4695 8.4695 9.4174 9.4174 9.4193 9.4193 9.8035 9.8035 9.8110 9.8110 10.0678 10.0678 10.0732 10.0732 10.3620 10.3620 10.3647 10.3647 16.1979 16.1979 16.2040 16.2040 16.7985 16.7985 16.8131 16.8131 17.1100 17.1100 17.1318 17.1318 k = 0.1121 0.3860 0.5166 ( 4850 PWs) bands (ev): -13.6646 -13.6646 -13.6646 -13.6646 -6.1287 -6.1287 -6.1223 -6.1223 -5.5192 -5.5192 -5.5162 -5.5162 -5.2303 -5.2303 -5.2175 -5.2175 -0.3137 -0.3137 -0.3054 -0.3054 1.3160 1.3160 1.3446 1.3446 1.7785 1.7785 1.8147 1.8147 6.9607 6.9607 6.9645 6.9645 7.2418 7.2418 7.2464 7.2464 8.0352 8.0352 8.0408 8.0408 8.1493 8.1493 8.1608 8.1608 8.4481 8.4481 8.4521 8.4521 9.4307 9.4307 9.4355 9.4355 9.7824 9.7824 9.7916 9.7916 10.1131 10.1131 10.1185 10.1185 10.3628 10.3628 10.3659 10.3659 16.1779 16.1779 16.1840 16.1840 16.8424 16.8424 16.8582 16.8582 17.1373 17.1373 17.1605 17.1605 k = 0.1207 0.3772 0.5289 ( 4848 PWs) bands (ev): -13.6639 -13.6639 -13.6639 -13.6639 -6.1505 -6.1505 -6.1444 -6.1444 -5.5227 -5.5227 -5.5199 -5.5199 -5.2079 -5.2079 -5.1955 -5.1955 -0.3017 -0.3017 -0.2931 -0.2931 1.3365 1.3365 1.3667 1.3667 1.7764 1.7764 1.8146 1.8146 6.9212 6.9212 6.9249 6.9249 7.2058 7.2058 7.2106 7.2106 8.0366 8.0366 8.0398 8.0398 8.1427 8.1427 8.1521 8.1521 8.4282 8.4282 8.4313 8.4313 9.4380 9.4380 9.4462 9.4462 9.7603 9.7603 9.7714 9.7714 10.1649 10.1649 10.1701 10.1701 10.3641 10.3641 10.3675 10.3675 16.1578 16.1578 16.1637 16.1637 16.8868 16.8868 16.9038 16.9038 17.1653 17.1653 17.1898 17.1898 k = 0.1293 0.3685 0.5412 ( 4850 PWs) bands (ev): -13.6632 -13.6632 -13.6631 -13.6631 -6.1714 -6.1714 -6.1656 -6.1656 -5.5264 -5.5264 -5.5237 -5.5237 -5.1862 -5.1862 -5.1743 -5.1743 -0.2895 -0.2895 -0.2807 -0.2807 1.3574 1.3574 1.3891 1.3891 1.7746 1.7746 1.8144 1.8144 6.8787 6.8787 6.8823 6.8823 7.1752 7.1752 7.1801 7.1801 8.0387 8.0387 8.0392 8.0392 8.1365 8.1365 8.1433 8.1433 8.4059 8.4059 8.4079 8.4079 9.4400 9.4400 9.4521 9.4521 9.7390 9.7390 9.7523 9.7523 10.2195 10.2195 10.2240 10.2240 10.3669 10.3669 10.3704 10.3704 16.1379 16.1379 16.1436 16.1436 16.9311 16.9311 16.9493 16.9493 17.1937 17.1937 17.2194 17.2194 k = 0.1379 0.3597 0.5535 ( 4852 PWs) bands (ev): -13.6624 -13.6624 -13.6624 -13.6624 -6.1912 -6.1912 -6.1858 -6.1858 -5.5301 -5.5301 -5.5276 -5.5276 -5.1653 -5.1653 -5.1540 -5.1540 -0.2774 -0.2774 -0.2686 -0.2686 1.3785 1.3785 1.4114 1.4114 1.7730 1.7730 1.8141 1.8141 6.8347 6.8347 6.8382 6.8382 7.1488 7.1488 7.1539 7.1539 8.0388 8.0388 8.0412 8.0412 8.1309 8.1309 8.1349 8.1349 8.3818 8.3818 8.3825 8.3825 9.4371 9.4371 9.4529 9.4529 9.7205 9.7205 9.7358 9.7358 10.2714 10.2714 10.2745 10.2745 10.3748 10.3748 10.3776 10.3776 16.1183 16.1183 16.1238 16.1238 16.9749 16.9749 16.9941 16.9941 17.2223 17.2223 17.2490 17.2490 k = 0.1466 0.3509 0.5658 ( 4848 PWs) bands (ev): -13.6617 -13.6617 -13.6617 -13.6617 -6.2100 -6.2100 -6.2049 -6.2049 -5.5338 -5.5338 -5.5316 -5.5316 -5.1454 -5.1454 -5.1347 -5.1347 -0.2656 -0.2656 -0.2568 -0.2568 1.3995 1.3995 1.4333 1.4333 1.7718 1.7718 1.8138 1.8138 6.7908 6.7908 6.7942 6.7942 7.1254 7.1254 7.1308 7.1308 8.0384 8.0384 8.0439 8.0439 8.1260 8.1260 8.1268 8.1268 8.3563 8.3563 8.3568 8.3568 9.4296 9.4296 9.4484 9.4484 9.7063 9.7063 9.7229 9.7229 10.3107 10.3107 10.3107 10.3107 10.3968 10.3968 10.3972 10.3972 16.0993 16.0993 16.1045 16.1045 17.0175 17.0175 17.0376 17.0376 17.2510 17.2510 17.2784 17.2784 k = 0.1552 0.3421 0.5781 ( 4848 PWs) bands (ev): -13.6610 -13.6610 -13.6609 -13.6609 -6.2276 -6.2276 -6.2228 -6.2228 -5.5375 -5.5375 -5.5354 -5.5354 -5.1266 -5.1266 -5.1166 -5.1166 -0.2540 -0.2540 -0.2454 -0.2454 1.4202 1.4202 1.4545 1.4545 1.7710 1.7710 1.8135 1.8135 6.7480 6.7480 6.7513 6.7513 7.1043 7.1043 7.1099 7.1099 8.0378 8.0378 8.0461 8.0461 8.1196 8.1196 8.1217 8.1217 8.3303 8.3303 8.3319 8.3319 9.4178 9.4178 9.4385 9.4385 9.6972 9.6972 9.7143 9.7143 10.3262 10.3262 10.3291 10.3291 10.4363 10.4363 10.4382 10.4382 16.0811 16.0811 16.0860 16.0860 17.0584 17.0584 17.0790 17.0790 17.2795 17.2795 17.3074 17.3074 k = 0.1638 0.3334 0.5904 ( 4858 PWs) bands (ev): -13.6603 -13.6603 -13.6603 -13.6603 -6.2438 -6.2438 -6.2395 -6.2395 -5.5410 -5.5410 -5.5391 -5.5391 -5.1091 -5.1091 -5.0998 -5.0998 -0.2429 -0.2429 -0.2346 -0.2346 1.4402 1.4402 1.4748 1.4748 1.7707 1.7707 1.8131 1.8131 6.7073 6.7073 6.7105 6.7105 7.0851 7.0851 7.0907 7.0907 8.0368 8.0368 8.0476 8.0476 8.1132 8.1132 8.1181 8.1181 8.3053 8.3053 8.3081 8.3081 9.4024 9.4024 9.4236 9.4236 9.6934 9.6934 9.7099 9.7099 10.3307 10.3307 10.3348 10.3348 10.4855 10.4855 10.4881 10.4881 16.0639 16.0639 16.0684 16.0684 17.0970 17.0970 17.1178 17.1178 17.3079 17.3079 17.3357 17.3357 k = 0.1724 0.3246 0.6027 ( 4856 PWs) bands (ev): -13.6597 -13.6597 -13.6596 -13.6596 -6.2587 -6.2587 -6.2548 -6.2548 -5.5443 -5.5443 -5.5426 -5.5426 -5.0929 -5.0929 -5.0844 -5.0844 -0.2324 -0.2324 -0.2245 -0.2245 1.4595 1.4595 1.4936 1.4936 1.7710 1.7710 1.8126 1.8126 6.6692 6.6692 6.6723 6.6723 7.0673 7.0673 7.0729 7.0729 8.0353 8.0353 8.0476 8.0476 8.1080 8.1080 8.1147 8.1147 8.2826 8.2826 8.2861 8.2861 9.3843 9.3843 9.4051 9.4051 9.6940 9.6940 9.7090 9.7090 10.3312 10.3312 10.3358 10.3358 10.5360 10.5360 10.5387 10.5387 16.0478 16.0478 16.0520 16.0520 17.1327 17.1327 17.1532 17.1532 17.3360 17.3360 17.3631 17.3631 k = 0.1810 0.3158 0.6150 ( 4844 PWs) bands (ev): -13.6591 -13.6591 -13.6590 -13.6590 -6.2722 -6.2722 -6.2687 -6.2687 -5.5474 -5.5474 -5.5459 -5.5459 -5.0781 -5.0781 -5.0705 -5.0705 -0.2227 -0.2227 -0.2152 -0.2152 1.4777 1.4777 1.5108 1.5108 1.7719 1.7719 1.8121 1.8121 6.6343 6.6343 6.6372 6.6372 7.0510 7.0510 7.0565 7.0565 8.0333 8.0333 8.0461 8.0461 8.1037 8.1037 8.1111 8.1111 8.2629 8.2629 8.2669 8.2669 9.3648 9.3648 9.3843 9.3843 9.6978 9.6978 9.7110 9.7110 10.3302 10.3302 10.3349 10.3349 10.5844 10.5844 10.5869 10.5869 16.0331 16.0331 16.0368 16.0368 17.1653 17.1653 17.1848 17.1848 17.3636 17.3636 17.3894 17.3894 k = 0.1897 0.3070 0.6273 ( 4850 PWs) bands (ev): -13.6585 -13.6585 -13.6585 -13.6585 -6.2842 -6.2842 -6.2811 -6.2811 -5.5503 -5.5503 -5.5490 -5.5490 -5.0649 -5.0649 -5.0581 -5.0581 -0.2137 -0.2137 -0.2069 -0.2069 1.4945 1.4945 1.5259 1.5259 1.7735 1.7735 1.8114 1.8114 6.6030 6.6030 6.6057 6.6057 7.0362 7.0362 7.0414 7.0414 8.0310 8.0310 8.0432 8.0432 8.0998 8.0998 8.1069 8.1069 8.2471 8.2471 8.2512 8.2512 9.3449 9.3449 9.3626 9.3626 9.7037 9.7037 9.7148 9.7148 10.3285 10.3285 10.3330 10.3330 10.6291 10.6291 10.6313 10.6313 16.0198 16.0198 16.0231 16.0231 17.1943 17.1943 17.2122 17.2122 17.3904 17.3904 17.4141 17.4141 k = 0.1983 0.2983 0.6396 ( 4848 PWs) bands (ev): -13.6580 -13.6580 -13.6580 -13.6580 -6.2946 -6.2946 -6.2920 -6.2920 -5.5528 -5.5528 -5.5517 -5.5517 -5.0532 -5.0532 -5.0473 -5.0473 -0.2056 -0.2056 -0.1995 -0.1995 1.5099 1.5099 1.5388 1.5388 1.7758 1.7758 1.8105 1.8105 6.5755 6.5755 6.5779 6.5779 7.0229 7.0229 7.0277 7.0277 8.0285 8.0285 8.0392 8.0392 8.0959 8.0959 8.1017 8.1017 8.2355 8.2355 8.2392 8.2392 9.3258 9.3258 9.3414 9.3414 9.7106 9.7106 9.7197 9.7197 10.3266 10.3266 10.3308 10.3308 10.6691 10.6691 10.6710 10.6710 16.0080 16.0080 16.0109 16.0109 17.2194 17.2194 17.2353 17.2353 17.4159 17.4159 17.4370 17.4370 k = 0.2069 0.2895 0.6519 ( 4848 PWs) bands (ev): -13.6576 -13.6576 -13.6576 -13.6576 -6.3035 -6.3035 -6.3013 -6.3013 -5.5550 -5.5550 -5.5540 -5.5540 -5.0431 -5.0431 -5.0381 -5.0381 -0.1985 -0.1985 -0.1933 -0.1933 1.5237 1.5237 1.5493 1.5493 1.7788 1.7788 1.8093 1.8093 6.5520 6.5520 6.5540 6.5540 7.0113 7.0113 7.0155 7.0155 8.0259 8.0259 8.0348 8.0348 8.0916 8.0916 8.0957 8.0957 8.2279 8.2279 8.2310 8.2310 9.3083 9.3083 9.3216 9.3216 9.7177 9.7177 9.7250 9.7250 10.3247 10.3247 10.3285 10.3285 10.7038 10.7038 10.7054 10.7054 15.9980 15.9980 16.0004 16.0004 17.2408 17.2408 17.2542 17.2542 17.4394 17.4394 17.4573 17.4573 k = 0.2155 0.2807 0.6642 ( 4850 PWs) bands (ev): -13.6573 -13.6573 -13.6573 -13.6573 -6.3108 -6.3108 -6.3090 -6.3090 -5.5568 -5.5568 -5.5560 -5.5560 -5.0347 -5.0347 -5.0307 -5.0307 -0.1925 -0.1925 -0.1882 -0.1882 1.5357 1.5357 1.5572 1.5572 1.7822 1.7822 1.8078 1.8078 6.5326 6.5326 6.5343 6.5343 7.0016 7.0016 7.0052 7.0052 8.0235 8.0235 8.0304 8.0304 8.0871 8.0871 8.0896 8.0896 8.2235 8.2235 8.2259 8.2259 9.2932 9.2932 9.3040 9.3040 9.7244 9.7244 9.7299 9.7299 10.3230 10.3230 10.3262 10.3262 10.7329 10.7329 10.7341 10.7341 15.9896 15.9896 15.9916 15.9916 17.2582 17.2582 17.2691 17.2691 17.4601 17.4601 17.4747 17.4747 k = 0.2241 0.2719 0.6765 ( 4846 PWs) bands (ev): -13.6570 -13.6570 -13.6570 -13.6570 -6.3164 -6.3164 -6.3151 -6.3151 -5.5582 -5.5582 -5.5576 -5.5576 -5.0280 -5.0280 -5.0250 -5.0250 -0.1876 -0.1876 -0.1843 -0.1843 1.5459 1.5459 1.5626 1.5626 1.7860 1.7860 1.8059 1.8059 6.5175 6.5175 6.5188 6.5188 6.9940 6.9940 6.9968 6.9968 8.0215 8.0215 8.0263 8.0263 8.0829 8.0829 8.0842 8.0842 8.2214 8.2214 8.2231 8.2231 9.2811 9.2811 9.2893 9.2893 9.7302 9.7302 9.7342 9.7342 10.3217 10.3217 10.3242 10.3242 10.7558 10.7558 10.7568 10.7568 15.9832 15.9832 15.9846 15.9846 17.2719 17.2719 17.2801 17.2801 17.4775 17.4775 17.4885 17.4885 k = 0.2328 0.2632 0.6888 ( 4846 PWs) bands (ev): -13.6568 -13.6568 -13.6568 -13.6568 -6.3204 -6.3204 -6.3195 -6.3195 -5.5591 -5.5591 -5.5588 -5.5588 -5.0230 -5.0230 -5.0210 -5.0210 -0.1839 -0.1839 -0.1817 -0.1817 1.5540 1.5540 1.5655 1.5655 1.7899 1.7899 1.8036 1.8036 6.5067 6.5067 6.5076 6.5076 6.9886 6.9886 6.9905 6.9905 8.0200 8.0200 8.0231 8.0231 8.0794 8.0794 8.0799 8.0799 8.2206 8.2206 8.2217 8.2217 9.2726 9.2726 9.2781 9.2781 9.7347 9.7347 9.7373 9.7373 10.3208 10.3208 10.3225 10.3225 10.7725 10.7725 10.7731 10.7731 15.9786 15.9786 15.9796 15.9796 17.2820 17.2820 17.2874 17.2874 17.4909 17.4909 17.4983 17.4983 k = 0.2414 0.2544 0.7011 ( 4838 PWs) bands (ev): -13.6567 -13.6567 -13.6567 -13.6567 -6.3227 -6.3227 -6.3222 -6.3222 -5.5597 -5.5597 -5.5595 -5.5595 -5.0198 -5.0198 -5.0188 -5.0188 -0.1814 -0.1814 -0.1803 -0.1803 1.5602 1.5602 1.5660 1.5660 1.7938 1.7938 1.8007 1.8007 6.5003 6.5003 6.5008 6.5008 6.9855 6.9855 6.9865 6.9865 8.0193 8.0193 8.0207 8.0207 8.0771 8.0771 8.0772 8.0772 8.2205 8.2205 8.2210 8.2210 9.2678 9.2678 9.2706 9.2706 9.7378 9.7378 9.7390 9.7390 10.3204 10.3204 10.3213 10.3213 10.7826 10.7826 10.7829 10.7829 15.9759 15.9759 15.9764 15.9764 17.2885 17.2885 17.2912 17.2912 17.4998 17.4998 17.5035 17.5035 k = 0.2500 0.2456 0.7134 ( 4836 PWs) bands (ev): -13.6566 -13.6566 -13.6566 -13.6566 -6.3233 -6.3233 -6.3233 -6.3233 -5.5598 -5.5598 -5.5598 -5.5598 -5.0184 -5.0184 -5.0184 -5.0184 -0.1802 -0.1802 -0.1802 -0.1802 1.5642 1.5642 1.5642 1.5642 1.7975 1.7975 1.7975 1.7975 6.4983 6.4983 6.4983 6.4983 6.9848 6.9848 6.9848 6.9848 8.0195 8.0195 8.0195 8.0195 8.0763 8.0763 8.0763 8.0763 8.2207 8.2207 8.2207 8.2207 9.2672 9.2672 9.2672 9.2672 9.7392 9.7392 9.7392 9.7392 10.3205 10.3205 10.3205 10.3205 10.7861 10.7861 10.7861 10.7861 15.9752 15.9752 15.9752 15.9752 17.2916 17.2916 17.2916 17.2916 17.5041 17.5041 17.5041 17.5041 k = 0.2500 0.2456 0.7134 ( 4836 PWs) bands (ev): -13.6566 -13.6566 -13.6566 -13.6566 -6.3233 -6.3233 -6.3233 -6.3233 -5.5598 -5.5598 -5.5598 -5.5598 -5.0184 -5.0184 -5.0184 -5.0184 -0.1802 -0.1802 -0.1802 -0.1802 1.5642 1.5642 1.5642 1.5642 1.7975 1.7975 1.7975 1.7975 6.4983 6.4983 6.4983 6.4983 6.9848 6.9848 6.9848 6.9848 8.0195 8.0195 8.0195 8.0195 8.0763 8.0763 8.0763 8.0763 8.2207 8.2207 8.2207 8.2207 9.2672 9.2672 9.2672 9.2672 9.7392 9.7392 9.7392 9.7392 10.3205 10.3205 10.3205 10.3205 10.7861 10.7861 10.7861 10.7861 15.9752 15.9752 15.9752 15.9752 17.2916 17.2916 17.2916 17.2916 17.5041 17.5041 17.5041 17.5041 k = 0.2589 0.2544 0.7011 ( 4836 PWs) bands (ev): -13.6596 -13.6596 -13.6537 -13.6537 -6.3376 -6.3376 -6.3084 -6.3084 -5.5763 -5.5763 -5.5427 -5.5427 -5.0328 -5.0328 -5.0050 -5.0050 -0.1814 -0.1814 -0.1797 -0.1797 1.5573 1.5573 1.5701 1.5701 1.7909 1.7909 1.8040 1.8040 6.4990 6.4990 6.4999 6.4999 6.9349 6.9349 7.0372 7.0372 7.9864 7.9864 8.0266 8.0266 8.0454 8.0454 8.1173 8.1173 8.2134 8.2134 8.2414 8.2414 9.2275 9.2275 9.3090 9.3090 9.7326 9.7326 9.7502 9.7502 10.2895 10.2895 10.3500 10.3500 10.7764 10.7764 10.7929 10.7929 15.8990 15.8990 16.0522 16.0522 17.2892 17.2892 17.2919 17.2919 17.4750 17.4750 17.5321 17.5321 k = 0.2679 0.2632 0.6888 ( 4846 PWs) bands (ev): -13.6623 -13.6623 -13.6510 -13.6510 -6.3509 -6.3509 -6.2935 -6.2935 -5.5918 -5.5918 -5.5251 -5.5251 -5.0485 -5.0485 -4.9918 -4.9918 -0.1832 -0.1832 -0.1797 -0.1797 1.5501 1.5501 1.5747 1.5747 1.7843 1.7843 1.8104 1.8104 6.5001 6.5001 6.5055 6.5055 6.8885 6.8885 7.0907 7.0907 7.9318 7.9318 7.9924 7.9924 8.0701 8.0701 8.1276 8.1276 8.2328 8.2328 8.2677 8.2677 9.1929 9.1929 9.3505 9.3505 9.7304 9.7304 9.7656 9.7656 10.2563 10.2563 10.3783 10.3783 10.7668 10.7668 10.7939 10.7939 15.8257 15.8257 16.1282 16.1282 17.2842 17.2842 17.2901 17.2901 17.4469 17.4469 17.5576 17.5576 k = 0.2768 0.2719 0.6765 ( 4852 PWs) bands (ev): -13.6649 -13.6649 -13.6486 -13.6486 -6.3630 -6.3630 -6.2789 -6.2789 -5.6063 -5.6063 -5.5070 -5.5070 -5.0656 -5.0656 -4.9791 -4.9791 -0.1857 -0.1857 -0.1800 -0.1800 1.5429 1.5429 1.5779 1.5779 1.7780 1.7780 1.8167 1.8167 6.5009 6.5009 6.5157 6.5157 6.8458 6.8458 7.1446 7.1446 7.8632 7.8632 7.9696 7.9696 8.0939 8.0939 8.1181 8.1181 8.2606 8.2606 8.3021 8.3021 9.1647 9.1647 9.3905 9.3905 9.7324 9.7324 9.7859 9.7859 10.2210 10.2210 10.4053 10.4053 10.7569 10.7569 10.7896 10.7896 15.7556 15.7556 16.2032 16.2032 17.2757 17.2757 17.2864 17.2864 17.4205 17.4205 17.5810 17.5810 k = 0.2857 0.2807 0.6642 ( 4846 PWs) bands (ev): -13.6674 -13.6674 -13.6463 -13.6463 -6.3741 -6.3741 -6.2648 -6.2648 -5.6199 -5.6199 -5.4883 -5.4883 -5.0839 -5.0839 -4.9669 -4.9669 -0.1888 -0.1888 -0.1805 -0.1805 1.5357 1.5357 1.5799 1.5799 1.7719 1.7719 1.8225 1.8225 6.5016 6.5016 6.5304 6.5304 6.8068 6.8068 7.1983 7.1983 7.7900 7.7900 7.9508 7.9508 8.0988 8.0988 8.1223 8.1223 8.2800 8.2800 8.3425 8.3425 9.1444 9.1444 9.4281 9.4281 9.7386 9.7386 9.8112 9.8112 10.1837 10.1837 10.4306 10.4306 10.7456 10.7456 10.7812 10.7812 15.6894 15.6894 16.2769 16.2769 17.2632 17.2632 17.2798 17.2798 17.3974 17.3974 17.6026 17.6026 k = 0.2946 0.2895 0.6519 ( 4850 PWs) bands (ev): -13.6696 -13.6696 -13.6443 -13.6443 -6.3839 -6.3839 -6.2513 -6.2513 -5.6323 -5.6323 -5.4691 -5.4691 -5.1033 -5.1033 -4.9552 -4.9552 -0.1925 -0.1925 -0.1811 -0.1811 1.5286 1.5286 1.5810 1.5810 1.7664 1.7664 1.8279 1.8279 6.5023 6.5023 6.5491 6.5491 6.7719 6.7719 7.2511 7.2511 7.7149 7.7149 7.9344 7.9344 8.0837 8.0837 8.1455 8.1455 8.2916 8.2916 8.3821 8.3821 9.1331 9.1331 9.4623 9.4623 9.7491 9.7491 9.8416 9.8416 10.1447 10.1447 10.4540 10.4540 10.7310 10.7310 10.7710 10.7710 15.6275 15.6275 16.3493 16.3493 17.2462 17.2462 17.2693 17.2693 17.3791 17.3791 17.6228 17.6228 k = 0.3036 0.2983 0.6396 ( 4859 PWs) bands (ev): -13.6716 -13.6716 -13.6425 -13.6425 -6.3927 -6.3927 -6.2387 -6.2387 -5.6436 -5.6436 -5.4494 -5.4494 -5.1236 -5.1236 -4.9443 -4.9443 -0.1966 -0.1966 -0.1818 -0.1818 1.5219 1.5219 1.5814 1.5814 1.7612 1.7612 1.8326 1.8326 6.5029 6.5029 6.5713 6.5713 6.7416 6.7416 7.3023 7.3023 7.6393 7.6393 7.9200 7.9200 8.0685 8.0685 8.1684 8.1684 8.2965 8.2965 8.4176 8.4176 9.1314 9.1314 9.4922 9.4922 9.7636 9.7636 9.8768 9.8768 10.1046 10.1046 10.4754 10.4754 10.7108 10.7108 10.7614 10.7614 15.5703 15.5703 16.4202 16.4202 17.2249 17.2249 17.2544 17.2544 17.3663 17.3663 17.6421 17.6421 k = 0.3125 0.3070 0.6273 ( 4858 PWs) bands (ev): -13.6735 -13.6735 -13.6409 -13.6409 -6.4003 -6.4003 -6.2271 -6.2271 -5.6537 -5.6537 -5.4292 -5.4292 -5.1447 -5.1447 -4.9341 -4.9341 -0.2011 -0.2011 -0.1824 -0.1824 1.5156 1.5156 1.5812 1.5812 1.7566 1.7566 1.8367 1.8367 6.5035 6.5035 6.5955 6.5955 6.7173 6.7173 7.3511 7.3511 7.5641 7.5641 7.9078 7.9078 8.0543 8.0543 8.1891 8.1891 8.2961 8.2961 8.4479 8.4479 9.1390 9.1390 9.5173 9.5173 9.7820 9.7820 9.9164 9.9164 10.0640 10.0640 10.4945 10.4945 10.6840 10.6840 10.7537 10.7537 15.5184 15.5184 16.4895 16.4895 17.1997 17.1997 17.2357 17.2357 17.3582 17.3582 17.6609 17.6609 k = 0.3214 0.3158 0.6150 ( 4852 PWs) bands (ev): -13.6751 -13.6751 -13.6396 -13.6396 -6.4067 -6.4067 -6.2168 -6.2168 -5.6626 -5.6626 -5.4086 -5.4086 -5.1664 -5.1664 -4.9248 -4.9248 -0.2057 -0.2057 -0.1830 -0.1830 1.5098 1.5098 1.5808 1.5808 1.7523 1.7523 1.8399 1.8399 6.5042 6.5042 6.6174 6.6174 6.7030 6.7030 7.3963 7.3963 7.4905 7.4905 7.8976 7.8976 8.0414 8.0414 8.2055 8.2055 8.2927 8.2927 8.4732 8.4732 9.1547 9.1547 9.5377 9.5377 9.8033 9.8033 9.9575 9.9575 10.0260 10.0260 10.5112 10.5112 10.6512 10.6512 10.7477 10.7477 15.4721 15.4721 16.5570 16.5570 17.1720 17.1720 17.2139 17.2139 17.3532 17.3532 17.6794 17.6794 k = 0.3304 0.3246 0.6027 ( 4851 PWs) bands (ev): -13.6765 -13.6765 -13.6384 -13.6384 -6.4120 -6.4120 -6.2078 -6.2078 -5.6702 -5.6702 -5.3877 -5.3877 -5.1884 -5.1884 -4.9164 -4.9164 -0.2104 -0.2104 -0.1835 -0.1835 1.5045 1.5045 1.5802 1.5802 1.7484 1.7484 1.8423 1.8423 6.5048 6.5048 6.6270 6.6270 6.7084 6.7084 7.4139 7.4139 7.4421 7.4421 7.8895 7.8895 8.0300 8.0300 8.2147 8.2147 8.2904 8.2904 8.4938 8.4938 9.1762 9.1762 9.5539 9.5539 9.8265 9.8265 9.9692 9.9692 10.0218 10.0218 10.5253 10.5253 10.6133 10.6133 10.7431 10.7431 15.4319 15.4319 16.6227 16.6227 17.1432 17.1432 17.1896 17.1896 17.3502 17.3502 17.6980 17.6980 k = 0.3393 0.3334 0.5904 ( 4847 PWs) bands (ev): -13.6777 -13.6777 -13.6374 -13.6374 -6.4161 -6.4161 -6.2005 -6.2005 -5.6766 -5.6766 -5.3665 -5.3665 -5.2105 -5.2105 -4.9091 -4.9091 -0.2150 -0.2150 -0.1838 -0.1838 1.4998 1.4998 1.5798 1.5798 1.7447 1.7447 1.8439 1.8439 6.5054 6.5054 6.6225 6.6225 6.7349 6.7349 7.3474 7.3474 7.4751 7.4751 7.8836 7.8836 8.0201 8.0201 8.2147 8.2147 8.2926 8.2926 8.5105 8.5105 9.2008 9.2008 9.5669 9.5669 9.8500 9.8500 9.9368 9.9368 10.0670 10.0670 10.5367 10.5367 10.5710 10.5710 10.7394 10.7394 15.3981 15.3981 16.6863 16.6863 17.1143 17.1143 17.1628 17.1628 17.3481 17.3481 17.7167 17.7167 k = 0.3482 0.3421 0.5782 ( 4845 PWs) bands (ev): -13.6787 -13.6787 -13.6367 -13.6367 -6.4191 -6.4191 -6.1948 -6.1948 -5.6816 -5.6816 -5.3457 -5.3457 -5.2321 -5.2321 -4.9028 -4.9028 -0.2194 -0.2194 -0.1840 -0.1840 1.4959 1.4959 1.5796 1.5796 1.7411 1.7411 1.8445 1.8445 6.5062 6.5062 6.6138 6.6138 6.7714 6.7714 7.2826 7.2826 7.5036 7.5036 7.8798 7.8798 8.0118 8.0118 8.2084 8.2084 8.2980 8.2980 8.5241 8.5241 9.2247 9.2247 9.5781 9.5781 9.8689 9.8689 9.9073 9.9073 10.1189 10.1189 10.5251 10.5251 10.5454 10.5454 10.7366 10.7366 15.3709 15.3709 16.7476 16.7476 17.0860 17.0860 17.1342 17.1342 17.3465 17.3465 17.7358 17.7358 k = 0.3571 0.3509 0.5659 ( 4852 PWs) bands (ev): -13.6794 -13.6794 -13.6361 -13.6361 -6.4209 -6.4209 -6.1909 -6.1909 -5.6853 -5.6853 -5.3266 -5.3266 -5.2518 -5.2518 -4.8976 -4.8976 -0.2235 -0.2235 -0.1840 -0.1840 1.4926 1.4926 1.5797 1.5797 1.7377 1.7377 1.8443 1.8443 6.5069 6.5069 6.6061 6.6061 6.8113 6.8113 7.2237 7.2237 7.5237 7.5237 7.8783 7.8783 8.0050 8.0050 8.2009 8.2009 8.3032 8.3032 8.5354 8.5354 9.2440 9.2440 9.5895 9.5895 9.8594 9.8594 9.9089 9.9089 10.1721 10.1721 10.4770 10.4770 10.5511 10.5511 10.7345 10.7345 15.3507 15.3507 16.8065 16.8065 17.0584 17.0584 17.1043 17.1043 17.3452 17.3452 17.7551 17.7551 k = 0.3661 0.3597 0.5536 ( 4848 PWs) bands (ev): -13.6799 -13.6799 -13.6358 -13.6358 -6.4215 -6.4215 -6.1890 -6.1890 -5.6876 -5.6876 -5.3145 -5.3145 -5.2641 -5.2641 -4.8936 -4.8936 -0.2273 -0.2273 -0.1837 -0.1837 1.4902 1.4902 1.5803 1.5803 1.7342 1.7342 1.8431 1.8431 6.5078 6.5078 6.6009 6.6009 6.8492 6.8492 7.1746 7.1746 7.5341 7.5341 7.8789 7.8789 7.9999 7.9999 8.1961 8.1961 8.3059 8.3059 8.5451 8.5451 9.2545 9.2545 9.6028 9.6028 9.8359 9.8359 9.9290 9.9290 10.2237 10.2237 10.4285 10.4285 10.5538 10.5538 10.7330 10.7330 15.3377 15.3377 16.8625 16.8625 17.0308 17.0308 17.0748 17.0748 17.3440 17.3440 17.7746 17.7746 k = 0.3750 0.3684 0.5413 ( 4851 PWs) bands (ev): -13.6802 -13.6802 -13.6356 -13.6356 -6.4209 -6.4209 -6.1890 -6.1890 -5.6886 -5.6886 -5.3199 -5.3199 -5.2585 -5.2585 -4.8907 -4.8907 -0.2307 -0.2307 -0.1833 -0.1833 1.4885 1.4885 1.5814 1.5814 1.7308 1.7308 1.8411 1.8411 6.5086 6.5086 6.5990 6.5990 6.8772 6.8772 7.1428 7.1428 7.5338 7.5338 7.8818 7.8818 7.9964 7.9964 8.1956 8.1956 8.3052 8.3052 8.5535 8.5535 9.2537 9.2537 9.6190 9.6190 9.8167 9.8167 9.9502 9.9502 10.2665 10.2665 10.3869 10.3869 10.5537 10.5537 10.7321 10.7321 15.3319 15.3319 16.9142 16.9142 17.0017 17.0017 17.0489 17.0489 17.3430 17.3430 17.7939 17.7939 k = 0.3839 0.3772 0.5290 ( 4851 PWs) bands (ev): -13.6803 -13.6803 -13.6357 -13.6357 -6.4192 -6.4192 -6.1909 -6.1909 -5.6883 -5.6883 -5.3370 -5.3370 -5.2408 -5.2408 -4.8891 -4.8891 -0.2336 -0.2336 -0.1827 -0.1827 1.4877 1.4877 1.5829 1.5829 1.7272 1.7272 1.8382 1.8382 6.5095 6.5095 6.6004 6.6004 6.8845 6.8845 7.1389 7.1389 7.5230 7.5230 7.8869 7.8869 7.9945 7.9945 8.1995 8.1995 8.3013 8.3013 8.5604 8.5604 9.2410 9.2410 9.6370 9.6370 9.8047 9.8047 9.9710 9.9710 10.2720 10.2720 10.3802 10.3802 10.5506 10.5506 10.7318 10.7318 15.3334 15.3334 16.9468 16.9468 16.9812 16.9812 17.0312 17.0312 17.3421 17.3421 17.8129 17.8129 k = 0.3929 0.3860 0.5167 ( 4845 PWs) bands (ev): -13.6801 -13.6801 -13.6360 -13.6360 -6.4163 -6.4163 -6.1948 -6.1948 -5.6865 -5.6865 -5.3571 -5.3571 -5.2198 -5.2198 -4.8887 -4.8887 -0.2361 -0.2361 -0.1818 -0.1818 1.4877 1.4877 1.5850 1.5850 1.7236 1.7236 1.8347 1.8347 6.5105 6.5105 6.6053 6.6053 6.8684 6.8684 7.1658 7.1658 7.5026 7.5026 7.8942 7.8942 7.9943 7.9943 8.2057 8.2057 8.2958 8.2958 8.5654 8.5654 9.2184 9.2184 9.6530 9.6530 9.8013 9.8013 9.9917 9.9917 10.2333 10.2333 10.4156 10.4156 10.5447 10.5447 10.7321 10.7321 15.3422 15.3422 16.9183 16.9183 16.9950 16.9950 17.0381 17.0381 17.3415 17.3415 17.8309 17.8309 k = 0.4018 0.3948 0.5044 ( 4841 PWs) bands (ev): -13.6797 -13.6797 -13.6364 -13.6364 -6.4122 -6.4122 -6.2006 -6.2006 -5.6834 -5.6834 -5.3778 -5.3778 -5.1979 -5.1979 -4.8894 -4.8894 -0.2382 -0.2382 -0.1808 -0.1808 1.4885 1.4885 1.5874 1.5874 1.7198 1.7198 1.8304 1.8304 6.5114 6.5114 6.6135 6.6135 6.8383 6.8383 7.2137 7.2137 7.4739 7.4739 7.9037 7.9037 7.9957 7.9957 8.2101 8.2101 8.2914 8.2914 8.5679 8.5679 9.1893 9.1893 9.6631 9.6631 9.8069 9.8069 10.0131 10.0131 10.1827 10.1827 10.4607 10.4607 10.5362 10.5362 10.7329 10.7329 15.3581 15.3581 16.8751 16.8751 16.9905 16.9905 17.0754 17.0754 17.3414 17.3414 17.8476 17.8476 k = 0.4107 0.4035 0.4921 ( 4842 PWs) bands (ev): -13.6790 -13.6790 -13.6371 -13.6371 -6.4070 -6.4070 -6.2082 -6.2082 -5.6790 -5.6790 -5.3983 -5.3983 -5.1759 -5.1759 -4.8913 -4.8913 -0.2398 -0.2398 -0.1796 -0.1796 1.4902 1.4902 1.5901 1.5901 1.7158 1.7158 1.8257 1.8257 6.5123 6.5123 6.6249 6.6249 6.8038 6.8038 7.2731 7.2731 7.4389 7.4389 7.9151 7.9151 7.9988 7.9988 8.2077 8.2077 8.2916 8.2916 8.5671 8.5671 9.1572 9.1572 9.6653 9.6653 9.8197 9.8197 10.0359 10.0359 10.1309 10.1309 10.5042 10.5042 10.5265 10.5265 10.7344 10.7344 15.3811 15.3811 16.8277 16.8277 16.9841 16.9841 17.1164 17.1164 17.3418 17.3418 17.8624 17.8624 k = 0.4196 0.4123 0.4798 ( 4852 PWs) bands (ev): -13.6782 -13.6782 -13.6380 -13.6380 -6.4006 -6.4006 -6.2176 -6.2176 -5.6732 -5.6732 -5.4185 -5.4185 -5.1542 -5.1542 -4.8944 -4.8944 -0.2411 -0.2411 -0.1783 -0.1783 1.4927 1.4927 1.5929 1.5929 1.7117 1.7117 1.8206 1.8206 6.5131 6.5131 6.6387 6.6387 6.7702 6.7702 7.3360 7.3360 7.4021 7.4021 7.9284 7.9284 8.0037 8.0037 8.1969 8.1969 8.2965 8.2965 8.5622 8.5622 9.1255 9.1255 9.6607 9.6607 9.8355 9.8355 10.0565 10.0565 10.0850 10.0850 10.5089 10.5089 10.5506 10.5506 10.7365 10.7365 15.4108 15.4108 16.7770 16.7770 16.9794 16.9794 17.1554 17.1554 17.3431 17.3431 17.8749 17.8749 k = 0.4286 0.4211 0.4675 ( 4857 PWs) bands (ev): -13.6771 -13.6771 -13.6391 -13.6391 -6.3931 -6.3931 -6.2285 -6.2285 -5.6662 -5.6662 -5.4381 -5.4381 -5.1330 -5.1330 -4.8985 -4.8985 -0.2421 -0.2421 -0.1769 -0.1769 1.4959 1.4959 1.5958 1.5958 1.7073 1.7073 1.8154 1.8154 6.5139 6.5139 6.6528 6.6528 6.7420 6.7420 7.3435 7.3435 7.4210 7.4210 7.9434 7.9434 8.0105 8.0105 8.1797 8.1797 8.3022 8.3022 8.5525 8.5525 9.0974 9.0974 9.6509 9.6509 9.8507 9.8507 10.0263 10.0263 10.0960 10.0960 10.4932 10.4932 10.5889 10.5889 10.7392 10.7392 15.4470 15.4470 16.7236 16.7236 16.9767 16.9767 17.1916 17.1916 17.3456 17.3456 17.8845 17.8845 k = 0.4375 0.4298 0.4552 ( 4855 PWs) bands (ev): -13.6757 -13.6757 -13.6404 -13.6404 -6.3844 -6.3844 -6.2408 -6.2408 -5.6578 -5.6578 -5.4572 -5.4572 -5.1125 -5.1125 -4.9036 -4.9036 -0.2429 -0.2429 -0.1754 -0.1754 1.4998 1.4998 1.5985 1.5985 1.7026 1.7026 1.8103 1.8103 6.5145 6.5145 6.6600 6.6600 6.7276 6.7276 7.2984 7.2984 7.4926 7.4926 7.9596 7.9596 8.0194 8.0194 8.1587 8.1587 8.3047 8.3047 8.5371 8.5371 9.0754 9.0754 9.6369 9.6369 9.8633 9.8633 9.9826 9.9826 10.1276 10.1276 10.4749 10.4749 10.6233 10.6233 10.7425 10.7425 15.4894 15.4894 16.6677 16.6677 16.9755 16.9755 17.2244 17.2244 17.3495 17.3495 17.8910 17.8910 k = 0.4464 0.4386 0.4429 ( 4853 PWs) bands (ev): -13.6742 -13.6742 -13.6420 -13.6420 -6.3746 -6.3746 -6.2543 -6.2543 -5.6482 -5.6482 -5.4757 -5.4757 -5.0929 -5.0929 -4.9096 -4.9096 -0.2436 -0.2436 -0.1740 -0.1740 1.5041 1.5041 1.6007 1.6007 1.6976 1.6976 1.8057 1.8057 6.5149 6.5149 6.6513 6.6513 6.7366 6.7366 7.2480 7.2480 7.5692 7.5692 7.9764 7.9764 8.0304 8.0304 8.1360 8.1360 8.3014 8.3014 8.5157 8.5157 9.0618 9.0618 9.6193 9.6193 9.8721 9.8721 9.9437 9.9437 10.1624 10.1624 10.4547 10.4547 10.6528 10.6528 10.7465 10.7465 15.5375 15.5375 16.6094 16.6094 16.9750 16.9750 17.2537 17.2537 17.3553 17.3553 17.8941 17.8941 k = 0.4554 0.4474 0.4306 ( 4851 PWs) bands (ev): -13.6724 -13.6724 -13.6438 -13.6438 -6.3636 -6.3636 -6.2689 -6.2689 -5.6373 -5.6373 -5.4936 -5.4936 -5.0743 -5.0743 -4.9165 -4.9165 -0.2443 -0.2443 -0.1728 -0.1728 1.5087 1.5087 1.6023 1.6023 1.6923 1.6923 1.8019 1.8019 6.5152 6.5152 6.6350 6.6350 6.7610 6.7610 7.1953 7.1953 7.6479 7.6479 7.9931 7.9931 8.0436 8.0436 8.1133 8.1133 8.2912 8.2912 8.4879 8.4879 9.0574 9.0574 9.5985 9.5985 9.8735 9.8735 9.9152 9.9152 10.1986 10.1986 10.4328 10.4328 10.6768 10.6768 10.7513 10.7513 15.5910 15.5910 16.5489 16.5489 16.9747 16.9747 17.2792 17.2792 17.3632 17.3632 17.8937 17.8937 k = 0.4643 0.4562 0.4183 ( 4846 PWs) bands (ev): -13.6705 -13.6705 -13.6457 -13.6457 -6.3515 -6.3515 -6.2842 -6.2842 -5.6253 -5.6253 -5.5110 -5.5110 -5.0570 -5.0570 -4.9241 -4.9241 -0.2450 -0.2450 -0.1716 -0.1716 1.5133 1.5133 1.6030 1.6030 1.6867 1.6867 1.7992 1.7992 6.5152 6.5152 6.6193 6.6193 6.7930 6.7930 7.1412 7.1412 7.7274 7.7274 8.0086 8.0086 8.0550 8.0550 8.0956 8.0956 8.2740 8.2740 8.4539 8.4539 9.0626 9.0626 9.5748 9.5748 9.8590 9.8590 9.9068 9.9068 10.2347 10.2347 10.4098 10.4098 10.6952 10.6952 10.7566 10.7566 15.6492 15.6492 16.4864 16.4864 16.9738 16.9738 17.3009 17.3009 17.3736 17.3736 17.8899 17.8899 k = 0.4732 0.4649 0.4060 ( 4846 PWs) bands (ev): -13.6683 -13.6683 -13.6480 -13.6480 -6.3385 -6.3385 -6.3001 -6.3001 -5.6121 -5.6121 -5.5279 -5.5279 -5.0410 -5.0410 -4.9324 -4.9324 -0.2460 -0.2460 -0.1708 -0.1708 1.5174 1.5174 1.6026 1.6026 1.6811 1.6811 1.7978 1.7978 6.5149 6.5149 6.6070 6.6070 6.8299 6.8299 7.0863 7.0863 7.8069 7.8069 8.0214 8.0214 8.0498 8.0498 8.0993 8.0993 8.2508 8.2508 8.4143 8.4143 9.0765 9.0765 9.5486 9.5486 9.8376 9.8376 9.9105 9.9105 10.2693 10.2693 10.3867 10.3867 10.7078 10.7078 10.7623 10.7623 15.7118 15.7118 16.4218 16.4218 16.9719 16.9719 17.3185 17.3185 17.3867 17.3867 17.8826 17.8826 k = 0.4821 0.4737 0.3937 ( 4842 PWs) bands (ev): -13.6659 -13.6659 -13.6504 -13.6504 -6.3256 -6.3256 -6.3150 -6.3150 -5.5979 -5.5979 -5.5443 -5.5443 -5.0265 -5.0265 -4.9412 -4.9412 -0.2474 -0.2474 -0.1701 -0.1701 1.5206 1.5206 1.6009 1.6009 1.6758 1.6758 1.7979 1.7979 6.5143 6.5143 6.5988 6.5988 6.8710 6.8710 7.0311 7.0311 7.8853 7.8853 8.0204 8.0204 8.0427 8.0427 8.1206 8.1206 8.2232 8.2232 8.3705 8.3705 9.0978 9.0978 9.5205 9.5205 9.8186 9.8186 9.9176 9.9176 10.2980 10.2980 10.3674 10.3674 10.7142 10.7142 10.7686 10.7686 15.7781 15.7781 16.3555 16.3555 16.9683 16.9683 17.3319 17.3319 17.4026 17.4026 17.8722 17.8722 k = 0.4911 0.4825 0.3814 ( 4848 PWs) bands (ev): -13.6633 -13.6633 -13.6531 -13.6531 -6.3342 -6.3342 -6.3075 -6.3075 -5.5826 -5.5826 -5.5602 -5.5602 -5.0136 -5.0136 -4.9503 -4.9503 -0.2492 -0.2492 -0.1699 -0.1699 1.5221 1.5221 1.5981 1.5981 1.6713 1.6713 1.7993 1.7993 6.5134 6.5134 6.5953 6.5953 6.9157 6.9157 6.9762 6.9762 7.9608 7.9608 8.0003 8.0003 8.0502 8.0502 8.1465 8.1465 8.1939 8.1939 8.3249 8.3249 9.1251 9.1251 9.4911 9.4911 9.8040 9.8040 9.9262 9.9262 10.3052 10.3052 10.3675 10.3675 10.7143 10.7143 10.7755 10.7755 15.8477 15.8477 16.2875 16.2875 16.9628 16.9628 17.3411 17.3411 17.4213 17.4213 17.8591 17.8591 k = 0.5000 0.4913 0.3691 ( 4850 PWs) bands (ev): -13.6606 -13.6606 -13.6560 -13.6560 -6.3505 -6.3505 -6.2912 -6.2912 -5.5761 -5.5761 -5.5660 -5.5660 -5.0025 -5.0025 -4.9597 -4.9597 -0.2516 -0.2516 -0.1699 -0.1699 1.5209 1.5209 1.5944 1.5944 1.6680 1.6680 1.8020 1.8020 6.5122 6.5122 6.5966 6.5966 6.9212 6.9212 6.9650 6.9650 7.9771 7.9771 8.0244 8.0244 8.0628 8.0628 8.1543 8.1543 8.1850 8.1850 8.2819 8.2819 9.1572 9.1572 9.4613 9.4613 9.7939 9.7939 9.9363 9.9363 10.2868 10.2868 10.3909 10.3909 10.7076 10.7076 10.7832 10.7832 15.9198 15.9198 16.2179 16.2179 16.9549 16.9549 17.3460 17.3460 17.4427 17.4427 17.8437 17.8437 k = 0.5000 0.4913 0.3691 ( 4850 PWs) bands (ev): -13.6606 -13.6606 -13.6560 -13.6560 -6.3505 -6.3505 -6.2912 -6.2912 -5.5761 -5.5761 -5.5660 -5.5660 -5.0025 -5.0025 -4.9597 -4.9597 -0.2516 -0.2516 -0.1699 -0.1699 1.5209 1.5209 1.5944 1.5944 1.6680 1.6680 1.8020 1.8020 6.5122 6.5122 6.5966 6.5966 6.9212 6.9212 6.9650 6.9650 7.9771 7.9771 8.0244 8.0244 8.0628 8.0628 8.1543 8.1543 8.1850 8.1850 8.2819 8.2819 9.1572 9.1572 9.4613 9.4613 9.7939 9.7939 9.9363 9.9363 10.2868 10.2868 10.3909 10.3909 10.7076 10.7076 10.7832 10.7832 15.9198 15.9198 16.2179 16.2179 16.9549 16.9549 17.3460 17.3460 17.4427 17.4427 17.8437 17.8437 k = 0.5000 0.4913 0.3515 ( 4842 PWs) bands (ev): -13.6604 -13.6604 -13.6565 -13.6565 -6.3743 -6.3743 -6.2671 -6.2671 -5.5977 -5.5977 -5.5417 -5.5417 -4.9881 -4.9881 -4.9729 -4.9729 -0.2556 -0.2556 -0.1702 -0.1702 1.5154 1.5154 1.5893 1.5893 1.6652 1.6652 1.8072 1.8072 6.5102 6.5102 6.6018 6.6018 6.8463 6.8463 7.0375 7.0375 7.9441 7.9441 8.0219 8.0219 8.1138 8.1138 8.1406 8.1406 8.2246 8.2246 8.2438 8.2438 9.2069 9.2069 9.4189 9.4189 9.7877 9.7877 9.9539 9.9539 10.2500 10.2500 10.4308 10.4308 10.6934 10.6934 10.7957 10.7957 16.0233 16.0233 16.1173 16.1173 16.9426 16.9426 17.3504 17.3504 17.4761 17.4761 17.8215 17.8215 k = 0.5000 0.4913 0.3339 ( 4854 PWs) bands (ev): -13.6647 -13.6647 -13.6525 -13.6525 -6.3985 -6.3985 -6.2434 -6.2434 -5.6186 -5.6186 -5.5164 -5.5164 -4.9875 -4.9875 -4.9723 -4.9723 -0.2595 -0.2595 -0.1705 -0.1705 1.5068 1.5068 1.5858 1.5858 1.6642 1.6642 1.8136 1.8136 6.5078 6.5078 6.6071 6.6071 6.7740 6.7740 7.1129 7.1129 7.9096 7.9096 7.9627 7.9627 8.0706 8.0706 8.2077 8.2077 8.2416 8.2416 8.2857 8.2857 9.2580 9.2580 9.3780 9.3780 9.7905 9.7905 9.9763 9.9763 10.2093 10.2093 10.4697 10.4697 10.6799 10.6799 10.8095 10.8095 16.0130 16.0130 16.1274 16.1274 16.9315 16.9315 17.3561 17.3561 17.5117 17.5117 17.8018 17.8018 k = 0.5000 0.4913 0.3164 ( 4852 PWs) bands (ev): -13.6690 -13.6690 -13.6485 -13.6485 -6.4230 -6.4230 -6.2205 -6.2205 -5.6387 -5.6387 -5.4902 -5.4902 -5.0003 -5.0003 -4.9582 -4.9582 -0.2635 -0.2635 -0.1707 -0.1707 1.4957 1.4957 1.5837 1.5837 1.6644 1.6644 1.8210 1.8210 6.5051 6.5051 6.6124 6.6124 6.7047 6.7047 7.1907 7.1907 7.8587 7.8587 7.8933 7.8933 8.0263 8.0263 8.2296 8.2296 8.2950 8.2950 8.3506 8.3506 9.2964 9.2964 9.3540 9.3540 9.8005 9.8005 10.0036 10.0036 10.1656 10.1656 10.5066 10.5066 10.6673 10.6673 10.8245 10.8245 15.9104 15.9104 16.2266 16.2266 16.9219 16.9219 17.3634 17.3634 17.5489 17.5489 17.7846 17.7846 k = 0.5000 0.4913 0.2988 ( 4850 PWs) bands (ev): -13.6732 -13.6732 -13.6445 -13.6445 -6.4476 -6.4476 -6.1984 -6.1984 -5.6578 -5.6578 -5.4633 -5.4633 -5.0131 -5.0131 -4.9439 -4.9439 -0.2673 -0.2673 -0.1709 -0.1709 1.4830 1.4830 1.5827 1.5827 1.6658 1.6658 1.8292 1.8292 6.5018 6.5018 6.6173 6.6173 6.6390 6.6390 7.2708 7.2708 7.7657 7.7657 7.8548 7.8548 7.9824 7.9824 8.2520 8.2520 8.3440 8.3440 8.4168 8.4168 9.2747 9.2747 9.3951 9.3951 9.8162 9.8162 10.0350 10.0350 10.1202 10.1202 10.5413 10.5413 10.6556 10.6556 10.8407 10.8407 15.8075 15.8075 16.3228 16.3228 16.9143 16.9143 17.3724 17.3724 17.5871 17.5871 17.7698 17.7698 k = 0.5000 0.4913 0.2812 ( 4846 PWs) bands (ev): -13.6773 -13.6773 -13.6406 -13.6406 -6.4720 -6.4720 -6.1773 -6.1773 -5.6759 -5.6759 -5.4360 -5.4360 -5.0257 -5.0257 -4.9299 -4.9299 -0.2711 -0.2711 -0.1709 -0.1709 1.4694 1.4694 1.5822 1.5822 1.6679 1.6679 1.8382 1.8382 6.4978 6.4978 6.5749 6.5749 6.6238 6.6238 7.3529 7.3529 7.6620 7.6620 7.8233 7.8233 7.9396 7.9396 8.2772 8.2772 8.3893 8.3893 8.4745 8.4745 9.2344 9.2344 9.4597 9.4597 9.8363 9.8363 10.0506 10.0506 10.0933 10.0933 10.5736 10.5736 10.6449 10.6449 10.8580 10.8580 15.7053 15.7053 16.4147 16.4147 16.9087 16.9087 17.3836 17.3836 17.6254 17.6254 17.7578 17.7578 k = 0.5000 0.4913 0.2636 ( 4854 PWs) bands (ev): -13.6813 -13.6813 -13.6367 -13.6367 -6.4961 -6.4961 -6.1572 -6.1572 -5.6930 -5.6930 -5.4084 -5.4084 -5.0379 -5.0379 -4.9163 -4.9163 -0.2748 -0.2748 -0.1710 -0.1710 1.4555 1.4555 1.5819 1.5819 1.6708 1.6708 1.8478 1.8478 6.4917 6.4917 6.5165 6.5165 6.6292 6.6292 7.4370 7.4370 7.5568 7.5568 7.7938 7.7938 7.8982 7.8982 8.3037 8.3037 8.4322 8.4322 8.5211 8.5211 9.1925 9.1925 9.5295 9.5295 9.8595 9.8595 10.0068 10.0068 10.1287 10.1287 10.6029 10.6029 10.6362 10.6362 10.8764 10.8764 15.6044 15.6044 16.5013 16.5013 16.9054 16.9054 17.3972 17.3972 17.6622 17.6622 17.7494 17.7494 k = 0.5000 0.4913 0.2461 ( 4858 PWs) bands (ev): -13.6852 -13.6852 -13.6330 -13.6330 -6.5196 -6.5196 -6.1383 -6.1383 -5.7090 -5.7090 -5.3809 -5.3809 -5.0496 -5.0496 -4.9031 -4.9031 -0.2784 -0.2784 -0.1709 -0.1709 1.4418 1.4418 1.5817 1.5817 1.6743 1.6743 1.8577 1.8577 6.4562 6.4562 6.4898 6.4898 6.6347 6.6347 7.4528 7.4528 7.5231 7.5231 7.7658 7.7658 7.8586 7.8586 8.3304 8.3304 8.4729 8.4729 8.5571 8.5571 9.1511 9.1511 9.6006 9.6006 9.8840 9.8840 9.9523 9.9523 10.1787 10.1787 10.6192 10.6192 10.6395 10.6395 10.8957 10.8957 15.5056 15.5056 16.5817 16.5817 16.9047 16.9047 17.4136 17.4136 17.6923 17.6923 17.7490 17.7490 k = 0.5000 0.4913 0.2285 ( 4858 PWs) bands (ev): -13.6889 -13.6889 -13.6295 -13.6295 -6.5424 -6.5424 -6.1205 -6.1205 -5.7238 -5.7238 -5.3537 -5.3537 -5.0609 -5.0609 -4.8905 -4.8905 -0.2818 -0.2818 -0.1709 -0.1709 1.4284 1.4284 1.5814 1.5814 1.6783 1.6783 1.8678 1.8678 6.4039 6.4039 6.4821 6.4821 6.6402 6.6402 7.3529 7.3529 7.6096 7.6096 7.7397 7.7397 7.8210 7.8210 8.3567 8.3567 8.5107 8.5107 8.5844 8.5844 9.1107 9.1107 9.6697 9.6697 9.8828 9.8828 9.9216 9.9216 10.2354 10.2354 10.6141 10.6141 10.6638 10.6638 10.9158 10.9158 15.4094 15.4094 16.6550 16.6550 16.9066 16.9066 17.4330 17.4330 17.7054 17.7054 17.7662 17.7662 k = 0.5000 0.4913 0.2109 ( 4860 PWs) bands (ev): -13.6924 -13.6924 -13.6261 -13.6261 -6.5644 -6.5644 -6.1040 -6.1040 -5.7375 -5.7375 -5.3270 -5.3270 -5.0715 -5.0715 -4.8784 -4.8784 -0.2850 -0.2850 -0.1708 -0.1708 1.4158 1.4158 1.5810 1.5810 1.6825 1.6825 1.8779 1.8779 6.3544 6.3544 6.4736 6.4736 6.6456 6.6456 7.2583 7.2583 7.6905 7.6905 7.7210 7.7210 7.7869 7.7869 8.3822 8.3822 8.5441 8.5441 8.6060 8.6060 9.0719 9.0719 9.7331 9.7331 9.8245 9.8245 9.9469 9.9469 10.2970 10.2970 10.6070 10.6070 10.6901 10.6901 10.9366 10.9366 15.3166 15.3166 16.7204 16.7204 16.9113 16.9113 17.4555 17.4555 17.7054 17.7054 17.7963 17.7963 k = 0.5000 0.4913 0.1933 ( 4864 PWs) bands (ev): -13.6957 -13.6957 -13.6229 -13.6229 -6.5852 -6.5852 -6.0888 -6.0888 -5.7501 -5.7501 -5.3012 -5.3012 -5.0815 -5.0815 -4.8671 -4.8671 -0.2880 -0.2880 -0.1707 -0.1707 1.4038 1.4038 1.5806 1.5806 1.6870 1.6870 1.8879 1.8879 6.3085 6.3085 6.4633 6.4633 6.6509 6.6509 7.1703 7.1703 7.6874 7.6874 7.7447 7.7447 7.7993 7.7993 8.4066 8.4066 8.5700 8.5700 8.6265 8.6265 9.0349 9.0349 9.7514 9.7514 9.7975 9.7975 9.9771 9.9771 10.3615 10.3615 10.6003 10.6003 10.7171 10.7171 10.9579 10.9579 15.2279 15.2279 16.7771 16.7771 16.9190 16.9190 17.4810 17.4810 17.7023 17.7023 17.8287 17.8287 k = 0.5000 0.4913 0.1758 ( 4864 PWs) bands (ev): -13.6988 -13.6988 -13.6199 -13.6199 -6.6049 -6.6049 -6.0749 -6.0749 -5.7616 -5.7616 -5.2765 -5.2765 -5.0908 -5.0908 -4.8565 -4.8565 -0.2907 -0.2907 -0.1705 -0.1705 1.3928 1.3928 1.5801 1.5801 1.6915 1.6915 1.8976 1.8976 6.2662 6.2662 6.4509 6.4509 6.6561 6.6561 7.0903 7.0903 7.6664 7.6664 7.7169 7.7169 7.8864 7.8864 8.4294 8.4294 8.5857 8.5857 8.6502 8.6502 9.0000 9.0000 9.6848 9.6848 9.8442 9.8442 10.0082 10.0082 10.4261 10.4261 10.5943 10.5943 10.7456 10.7456 10.9796 10.9796 15.1438 15.1438 16.8247 16.8247 16.9299 16.9299 17.5091 17.5091 17.6990 17.6990 17.8596 17.8596 k = 0.5000 0.4913 0.1582 ( 4864 PWs) bands (ev): -13.7016 -13.7016 -13.6171 -13.6171 -6.6231 -6.6231 -6.0623 -6.0623 -5.7719 -5.7719 -5.2532 -5.2532 -5.0993 -5.0993 -4.8467 -4.8467 -0.2932 -0.2932 -0.1704 -0.1704 1.3827 1.3827 1.5797 1.5797 1.6959 1.6959 1.9068 1.9068 6.2277 6.2277 6.4361 6.4361 6.6611 6.6611 7.0192 7.0192 7.6465 7.6465 7.6886 7.6886 7.9781 7.9781 8.4505 8.4505 8.5927 8.5927 8.6767 8.6767 8.9677 8.9677 9.6123 9.6123 9.8860 9.8860 10.0393 10.0393 10.4867 10.4867 10.5891 10.5891 10.7772 10.7772 11.0014 11.0014 15.0650 15.0650 16.8630 16.8630 16.9442 16.9442 17.5389 17.5389 17.6964 17.6964 17.8879 17.8879 k = 0.5000 0.4913 0.1406 ( 4860 PWs) bands (ev): -13.7042 -13.7042 -13.6146 -13.6146 -6.6398 -6.6398 -6.0509 -6.0509 -5.7812 -5.7812 -5.2317 -5.2317 -5.1069 -5.1069 -4.8378 -4.8378 -0.2955 -0.2955 -0.1702 -0.1702 1.3736 1.3736 1.5792 1.5792 1.7001 1.7001 1.9154 1.9154 6.1930 6.1930 6.4189 6.4189 6.6657 6.6657 6.9578 6.9578 7.6283 7.6283 7.6626 7.6626 8.0709 8.0709 8.4695 8.4695 8.5947 8.5947 8.7032 8.7032 8.9379 8.9379 9.5368 9.5368 9.9212 9.9212 10.0692 10.0692 10.5390 10.5390 10.5853 10.5853 10.8130 10.8130 11.0234 11.0234 14.9923 14.9923 16.8926 16.8926 16.9615 16.9615 17.5692 17.5692 17.6949 17.6949 17.9127 17.9127 k = 0.5000 0.4913 0.1230 ( 4862 PWs) bands (ev): -13.7066 -13.7066 -13.6123 -13.6123 -6.6548 -6.6548 -6.0410 -6.0410 -5.7893 -5.7893 -5.2122 -5.2122 -5.1136 -5.1136 -4.8298 -4.8298 -0.2975 -0.2975 -0.1701 -0.1701 1.3655 1.3655 1.5788 1.5788 1.7041 1.7041 1.9234 1.9234 6.1623 6.1623 6.3997 6.3997 6.6700 6.6700 6.9063 6.9063 7.6119 7.6119 7.6394 7.6394 8.1641 8.1641 8.4861 8.4861 8.5943 8.5943 8.7283 8.7283 8.9111 8.9111 9.4586 9.4586 9.9504 9.9504 10.0972 10.0972 10.5722 10.5722 10.5911 10.5911 10.8530 10.8530 11.0453 11.0453 14.9263 14.9263 16.9155 16.9155 16.9802 16.9802 17.5988 17.5988 17.6947 17.6947 17.9303 17.9309 k = 0.5000 0.4913 0.1055 ( 4866 PWs) bands (ev): -13.7086 -13.7086 -13.6103 -13.6103 -6.6681 -6.6681 -6.0323 -6.0323 -5.7963 -5.7963 -5.1951 -5.1951 -5.1192 -5.1192 -4.8228 -4.8228 -0.2993 -0.2993 -0.1699 -0.1699 1.3584 1.3584 1.5784 1.5784 1.7077 1.7077 1.9305 1.9305 6.1356 6.1356 6.3792 6.3792 6.6739 6.6739 6.8644 6.8644 7.5974 7.5974 7.6191 7.6191 8.2573 8.2573 8.5002 8.5002 8.5930 8.5930 8.7512 8.7512 8.8874 8.8874 9.3782 9.3782 9.9746 9.9746 10.1224 10.1224 10.5736 10.5736 10.6188 10.6188 10.8951 10.8951 11.0672 11.0672 14.8675 14.8675 16.9338 16.9338 16.9984 16.9984 17.6256 17.6256 17.6965 17.6965 17.8875 17.8876 k = 0.5000 0.4913 0.0879 ( 4862 PWs) bands (ev): -13.7103 -13.7103 -13.6086 -13.6086 -6.6795 -6.6795 -6.0250 -6.0250 -5.8022 -5.8022 -5.1807 -5.1807 -5.1235 -5.1235 -4.8168 -4.8168 -0.3007 -0.3007 -0.1698 -0.1698 1.3525 1.3525 1.5781 1.5781 1.7109 1.7109 1.9367 1.9367 6.1128 6.1128 6.3585 6.3585 6.6774 6.6774 6.8316 6.8316 7.5848 7.5848 7.6020 7.6020 8.3495 8.3495 8.5118 8.5118 8.5919 8.5919 8.7714 8.7714 8.8668 8.8668 9.2959 9.2959 9.9943 9.9943 10.1444 10.1444 10.5713 10.5713 10.6419 10.6419 10.9354 10.9354 11.0889 11.0889 14.8167 14.8167 16.9490 16.9490 17.0146 17.0146 17.6478 17.6478 17.7010 17.7010 17.8471 17.8471 k = 0.5000 0.4913 0.0703 ( 4854 PWs) bands (ev): -13.7118 -13.7118 -13.6071 -13.6071 -6.6889 -6.6889 -6.0190 -6.0190 -5.8070 -5.8070 -5.1694 -5.1694 -5.1263 -5.1263 -4.8118 -4.8118 -0.3019 -0.3019 -0.1697 -0.1697 1.3476 1.3476 1.5778 1.5778 1.7136 1.7136 1.9419 1.9419 6.0942 6.0942 6.3391 6.3391 6.6802 6.6802 6.8066 6.8066 7.5741 7.5741 7.5882 7.5882 8.4385 8.4385 8.5226 8.5226 8.5916 8.5916 8.7891 8.7891 8.8495 8.8495 9.2121 9.2121 10.0101 10.0101 10.1627 10.1627 10.5690 10.5690 10.6585 10.6585 10.9703 10.9703 11.1103 11.1103 14.7742 14.7742 16.9618 16.9618 17.0283 17.0283 17.6636 17.6636 17.7086 17.7086 17.8125 17.8125 k = 0.5000 0.4913 0.0527 ( 4854 PWs) bands (ev): -13.7129 -13.7129 -13.6060 -13.6060 -6.6963 -6.6963 -6.0143 -6.0143 -5.8107 -5.8107 -5.1616 -5.1616 -5.1274 -5.1274 -4.8079 -4.8079 -0.3029 -0.3029 -0.1696 -0.1696 1.3438 1.3438 1.5776 1.5776 1.7158 1.7158 1.9460 1.9460 6.0796 6.0796 6.3223 6.3223 6.6826 6.6826 6.7886 6.7886 7.5654 7.5654 7.5777 7.5777 8.5046 8.5046 8.5502 8.5502 8.5932 8.5932 8.8041 8.8041 8.8360 8.8360 9.1275 9.1275 10.0221 10.0221 10.1772 10.1772 10.5673 10.5673 10.6701 10.6701 10.9975 10.9975 11.1301 11.1301 14.7407 14.7407 16.9721 16.9721 17.0393 17.0393 17.6743 17.6743 17.7165 17.7165 17.7852 17.7852 k = 0.5000 0.4913 0.0352 ( 4854 PWs) bands (ev): -13.7137 -13.7137 -13.6052 -13.6052 -6.7017 -6.7017 -6.0110 -6.0110 -5.8134 -5.8134 -5.1571 -5.1571 -5.1269 -5.1269 -4.8051 -4.8051 -0.3035 -0.3035 -0.1695 -0.1695 1.3411 1.3411 1.5774 1.5774 1.7173 1.7173 1.9490 1.9490 6.0692 6.0692 6.3094 6.3094 6.6842 6.6842 6.7765 6.7765 7.5589 7.5589 7.5704 7.5704 8.5187 8.5187 8.5893 8.5893 8.6284 8.6284 8.8129 8.8129 8.8312 8.8312 9.0435 9.0435 10.0306 10.0306 10.1876 10.1876 10.5660 10.5660 10.6776 10.6776 11.0164 11.0164 11.1465 11.1465 14.7164 14.7164 16.9796 16.9796 17.0474 17.0474 17.6826 17.6826 17.7189 17.7189 17.7682 17.7682 k = 0.5000 0.4913 0.0176 ( 4856 PWs) bands (ev): -13.7142 -13.7142 -13.6047 -13.6047 -6.7049 -6.7049 -6.0090 -6.0090 -5.8150 -5.8150 -5.1551 -5.1551 -5.1260 -5.1260 -4.8034 -4.8034 -0.3039 -0.3039 -0.1695 -0.1695 1.3395 1.3395 1.5773 1.5773 1.7183 1.7183 1.9508 1.9508 6.0630 6.0630 6.3013 6.3013 6.6852 6.6852 6.7695 6.7695 7.5548 7.5548 7.5662 7.5662 8.5219 8.5219 8.5917 8.5917 8.6960 8.6960 8.8074 8.8074 8.8487 8.8487 8.9636 8.9636 10.0357 10.0357 10.1939 10.1939 10.5652 10.5652 10.6819 10.6819 11.0273 11.0273 11.1573 11.1573 14.7017 14.7017 16.9843 16.9843 17.0523 17.0523 17.6909 17.6909 17.7125 17.7125 17.7624 17.7624 k = 0.5000 0.4913 0.0000 ( 4856 PWs) bands (ev): -13.7144 -13.7144 -13.6046 -13.6046 -6.7060 -6.7060 -6.0083 -6.0083 -5.8155 -5.8155 -5.1545 -5.1545 -5.1256 -5.1256 -4.8029 -4.8029 -0.3040 -0.3040 -0.1695 -0.1695 1.3389 1.3389 1.5773 1.5773 1.7186 1.7186 1.9514 1.9514 6.0609 6.0609 6.2986 6.2986 6.6856 6.6856 6.7672 6.7672 7.5534 7.5534 7.5648 7.5648 8.5226 8.5226 8.5921 8.5921 8.7273 8.7273 8.8020 8.8020 8.8806 8.8806 8.9062 8.9062 10.0374 10.0374 10.1960 10.1960 10.5649 10.5649 10.6833 10.6833 11.0309 11.0309 11.1612 11.1612 14.6968 14.6968 16.9858 16.9858 17.0540 17.0540 17.6978 17.6978 17.7050 17.7050 17.7617 17.7617 k = 0.0000 0.0000 0.7134 ( 4856 PWs) bands (ev): -13.7095 -13.7095 -13.6021 -13.6021 -6.6213 -6.6213 -6.0964 -6.0964 -5.7980 -5.7980 -5.2577 -5.2577 -5.1825 -5.1825 -4.7714 -4.7714 -0.1880 -0.1880 -0.1759 -0.1759 1.4895 1.4895 1.6018 1.6018 1.8163 1.8163 1.8859 1.8859 6.2172 6.2172 6.3747 6.3747 6.5352 6.5352 6.7063 6.7063 7.6468 7.6468 7.7810 7.7810 8.3867 8.3867 8.4555 8.4555 8.4775 8.4775 8.6469 8.6469 8.8274 8.8274 8.9173 8.9173 9.9264 9.9264 10.1661 10.1661 10.5850 10.5850 10.6601 10.6601 10.9549 10.9549 11.1104 11.1104 14.5213 14.5213 17.1262 17.1262 17.2606 17.2606 17.2862 17.2862 17.3518 17.3518 18.2276 18.2277 k = 0.0125 0.0123 0.7134 ( 4848 PWs) bands (ev): -13.7094 -13.7094 -13.6023 -13.6023 -6.6203 -6.6203 -6.0970 -6.0970 -5.7974 -5.7974 -5.2570 -5.2570 -5.1839 -5.1839 -4.7722 -4.7722 -0.1881 -0.1881 -0.1758 -0.1758 1.4896 1.4896 1.6022 1.6022 1.8154 1.8154 1.8859 1.8859 6.2193 6.2193 6.3769 6.3769 6.5350 6.5350 6.7090 6.7090 7.6479 7.6479 7.7821 7.7821 8.3872 8.3872 8.4520 8.4520 8.4758 8.4758 8.6405 8.6405 8.7913 8.7913 8.9640 8.9640 9.9251 9.9251 10.1628 10.1628 10.5853 10.5853 10.6604 10.6604 10.9496 10.9496 11.1073 11.1073 14.5262 14.5262 17.1267 17.1267 17.2608 17.2608 17.2856 17.2856 17.3484 17.3484 18.2248 18.2248 k = 0.0250 0.0246 0.7134 ( 4848 PWs) bands (ev): -13.7089 -13.7089 -13.6028 -13.6028 -6.6173 -6.6173 -6.0987 -6.0987 -5.7957 -5.7957 -5.2549 -5.2549 -5.1880 -5.1880 -4.7745 -4.7745 -0.1882 -0.1882 -0.1756 -0.1756 1.4897 1.4897 1.6033 1.6033 1.8128 1.8128 1.8860 1.8860 6.2253 6.2253 6.3833 6.3833 6.5344 6.5344 6.7175 6.7175 7.6512 7.6512 7.7856 7.7856 8.3879 8.3879 8.4379 8.4379 8.4711 8.4711 8.6236 8.6236 8.7460 8.7460 9.0424 9.0424 9.9212 9.9212 10.1532 10.1532 10.5863 10.5863 10.6613 10.6613 10.9334 10.9334 11.0984 11.0984 14.5409 14.5409 17.1282 17.1282 17.2615 17.2615 17.2833 17.2833 17.3385 17.3385 18.2162 18.2162 k = 0.0375 0.0368 0.7134 ( 4854 PWs) bands (ev): -13.7081 -13.7081 -13.6037 -13.6037 -6.6124 -6.6124 -6.1017 -6.1017 -5.7928 -5.7928 -5.2514 -5.2514 -5.1947 -5.1947 -4.7783 -4.7783 -0.1884 -0.1884 -0.1753 -0.1753 1.4899 1.4899 1.6051 1.6051 1.8086 1.8086 1.8860 1.8860 6.2354 6.2354 6.3932 6.3932 6.5334 6.5334 6.7322 6.7322 7.6567 7.6567 7.7915 7.7915 8.3821 8.3821 8.4098 8.4098 8.4654 8.4654 8.6070 8.6070 8.7149 8.7149 9.1266 9.1266 9.9148 9.9148 10.1377 10.1377 10.5875 10.5875 10.6627 10.6627 10.9054 10.9054 11.0854 11.0854 14.5652 14.5652 17.1307 17.1307 17.2622 17.2622 17.2772 17.2772 17.3249 17.3249 18.2020 18.2020 k = 0.0500 0.0491 0.7134 ( 4850 PWs) bands (ev): -13.7070 -13.7070 -13.6048 -13.6048 -6.6055 -6.6055 -6.1058 -6.1058 -5.7888 -5.7888 -5.2468 -5.2468 -5.2040 -5.2040 -4.7837 -4.7837 -0.1887 -0.1887 -0.1750 -0.1750 1.4903 1.4903 1.6074 1.6074 1.8032 1.8032 1.8858 1.8858 6.2496 6.2496 6.4054 6.4054 6.5321 6.5321 6.7543 6.7543 7.6644 7.6644 7.7996 7.7996 8.3344 8.3344 8.3993 8.3993 8.4605 8.4605 8.6025 8.6025 8.6923 8.6923 9.2121 9.2121 9.9059 9.9059 10.1167 10.1167 10.5887 10.5887 10.6647 10.6647 10.8647 10.8647 11.0697 11.0697 14.5987 14.5987 17.1343 17.1343 17.2573 17.2573 17.2673 17.2673 17.3131 17.3131 18.1822 18.1822 k = 0.0625 0.0614 0.7134 ( 4846 PWs) bands (ev): -13.7055 -13.7055 -13.6063 -13.6063 -6.5968 -6.5968 -6.1111 -6.1111 -5.7836 -5.7836 -5.2413 -5.2413 -5.2150 -5.2150 -4.7905 -4.7905 -0.1889 -0.1889 -0.1746 -0.1746 1.4909 1.4909 1.6102 1.6102 1.7969 1.7969 1.8851 1.8851 6.2677 6.2677 6.4187 6.4187 6.5304 6.5304 6.7845 6.7845 7.6742 7.6742 7.8099 7.8099 8.2602 8.2602 8.3966 8.3966 8.4576 8.4576 8.6102 8.6102 8.6724 8.6724 9.2973 9.2973 9.8944 9.8944 10.0910 10.0910 10.5892 10.5892 10.6672 10.6672 10.8115 10.8115 11.0526 11.0526 14.6412 14.6412 17.1392 17.1392 17.2290 17.2290 17.2676 17.2676 17.3070 17.3070 18.1573 18.1573 k = 0.0750 0.0737 0.7134 ( 4854 PWs) bands (ev): -13.7038 -13.7038 -13.6081 -13.6081 -6.5863 -6.5863 -6.1175 -6.1175 -5.7772 -5.7772 -5.2390 -5.2390 -5.2241 -5.2241 -4.7988 -4.7988 -0.1891 -0.1891 -0.1742 -0.1742 1.4919 1.4919 1.6133 1.6133 1.7900 1.7900 1.8838 1.8838 6.2898 6.2898 6.4319 6.4319 6.5285 6.5285 6.8241 6.8241 7.6862 7.6862 7.8225 7.8225 8.1766 8.1766 8.3902 8.3902 8.4583 8.4583 8.6264 8.6264 8.6526 8.6526 9.3813 9.3813 9.8805 9.8805 10.0613 10.0613 10.5887 10.5887 10.6702 10.6702 10.7466 10.7466 11.0348 11.0348 14.6922 14.6922 17.1453 17.1453 17.1881 17.1881 17.2698 17.2698 17.3047 17.3047 18.1275 18.1275 k = 0.0875 0.0860 0.7134 ( 4852 PWs) bands (ev): -13.7018 -13.7018 -13.6103 -13.6103 -6.5741 -6.5741 -6.1252 -6.1252 -5.7697 -5.7697 -5.2504 -5.2504 -5.2203 -5.2203 -4.8084 -4.8084 -0.1893 -0.1893 -0.1739 -0.1739 1.4932 1.4932 1.6164 1.6164 1.7828 1.7828 1.8818 1.8818 6.3158 6.3158 6.4440 6.4440 6.5264 6.5264 6.8733 6.8733 7.7002 7.7002 7.8373 7.8373 8.0886 8.0886 8.3786 8.3786 8.4622 8.4622 8.6285 8.6285 8.6523 8.6523 9.4631 9.4631 9.8641 9.8641 10.0286 10.0286 10.5867 10.5867 10.6674 10.6674 10.6780 10.6780 11.0165 11.0165 14.7513 14.7513 17.1353 17.1353 17.1557 17.1557 17.2724 17.2724 17.3041 17.3041 18.0934 18.0934 k = 0.1000 0.0983 0.7134 ( 4848 PWs) bands (ev): -13.6995 -13.6995 -13.6127 -13.6127 -6.5603 -6.5603 -6.1340 -6.1340 -5.7609 -5.7609 -5.2681 -5.2681 -5.2110 -5.2110 -4.8193 -4.8193 -0.1893 -0.1893 -0.1737 -0.1737 1.4950 1.4950 1.6192 1.6192 1.7758 1.7758 1.8791 1.8791 6.3457 6.3457 6.4546 6.4546 6.5241 6.5241 6.9325 6.9325 7.7162 7.7162 7.8541 7.8541 7.9987 7.9987 8.3626 8.3626 8.4676 8.4676 8.6060 8.6060 8.6802 8.6802 9.5417 9.5417 9.8456 9.8456 9.9938 9.9938 10.5791 10.5791 10.5909 10.5909 10.6789 10.6789 10.9977 10.9977 14.8177 14.8177 17.0783 17.0783 17.1643 17.1643 17.2754 17.2754 17.3043 17.3043 18.0555 18.0555 k = 0.1125 0.1105 0.7134 ( 4844 PWs) bands (ev): -13.6970 -13.6970 -13.6153 -13.6153 -6.5451 -6.5451 -6.1440 -6.1440 -5.7509 -5.7509 -5.2881 -5.2881 -5.1999 -5.1999 -4.8315 -4.8315 -0.1892 -0.1892 -0.1735 -0.1735 1.4973 1.4973 1.6216 1.6216 1.7693 1.7693 1.8756 1.8756 6.3794 6.3794 6.4635 6.4635 6.5217 6.5217 7.0011 7.0011 7.7341 7.7341 7.8719 7.8719 7.9092 7.9092 8.3433 8.3433 8.4725 8.4725 8.5815 8.5815 8.7133 8.7133 9.6149 9.6149 9.8260 9.8260 9.9583 9.9583 10.4961 10.4961 10.5780 10.5780 10.6837 10.6837 10.9786 10.9786 14.8910 14.8910 17.0129 17.0129 17.1758 17.1758 17.2785 17.2785 17.3050 17.3050 18.0144 18.0144 k = 0.1250 0.1228 0.7134 ( 4840 PWs) bands (ev): -13.6942 -13.6942 -13.6183 -13.6183 -6.5284 -6.5284 -6.1551 -6.1551 -5.7397 -5.7397 -5.3099 -5.3099 -5.1874 -5.1874 -4.8448 -4.8448 -0.1890 -0.1890 -0.1735 -0.1735 1.5002 1.5002 1.6229 1.6229 1.7638 1.7638 1.8713 1.8713 6.4167 6.4167 6.4708 6.4708 6.5192 6.5192 7.0785 7.0785 7.7539 7.7539 7.8158 7.8158 7.8955 7.8955 8.3212 8.3212 8.4745 8.4745 8.5564 8.5564 8.7506 8.7506 9.6758 9.6758 9.8103 9.8103 9.9245 9.9245 10.4019 10.4019 10.5696 10.5696 10.6893 10.6893 10.9594 10.9594 14.9706 14.9706 16.9408 16.9408 17.1893 17.1893 17.2817 17.2817 17.3062 17.3062 17.9707 17.9707 k = 0.1375 0.1351 0.7134 ( 4848 PWs) bands (ev): -13.6912 -13.6912 -13.6214 -13.6214 -6.5106 -6.5106 -6.1673 -6.1673 -5.7273 -5.7273 -5.3331 -5.3331 -5.1739 -5.1739 -4.8591 -4.8591 -0.1886 -0.1886 -0.1736 -0.1736 1.5037 1.5037 1.6230 1.6230 1.7597 1.7597 1.8662 1.8662 6.4565 6.4565 6.4779 6.4779 6.5169 6.5169 7.1638 7.1638 7.7260 7.7260 7.7754 7.7754 7.9180 7.9180 8.2969 8.2969 8.4706 8.4706 8.5322 8.5322 8.7915 8.7915 9.7024 9.7024 9.8158 9.8158 9.8974 9.8974 10.3057 10.3057 10.5588 10.5588 10.6955 10.6955 10.9401 10.9401 15.0558 15.0558 16.8626 16.8626 17.2046 17.2046 17.2850 17.2850 17.3081 17.3081 17.9249 17.9249 k = 0.1500 0.1474 0.7134 ( 4854 PWs) bands (ev): -13.6879 -13.6879 -13.6248 -13.6248 -6.4917 -6.4917 -6.1807 -6.1807 -5.7136 -5.7136 -5.3574 -5.3574 -5.1593 -5.1593 -4.8744 -4.8744 -0.1880 -0.1880 -0.1738 -0.1738 1.5079 1.5079 1.6215 1.6215 1.7575 1.7575 1.8605 1.8605 6.4787 6.4787 6.5041 6.5041 6.5156 6.5156 7.2559 7.2559 7.6367 7.6367 7.7987 7.7987 7.9427 7.9427 8.2707 8.2707 8.4573 8.4573 8.5110 8.5110 8.8357 8.8357 9.6850 9.6850 9.8286 9.8286 9.9012 9.9012 10.2103 10.2103 10.5452 10.5452 10.7024 10.7024 10.9208 10.9208 15.1460 15.1460 16.7788 16.7788 17.2212 17.2212 17.2882 17.2882 17.3112 17.3112 17.8776 17.8776 k = 0.1625 0.1597 0.7134 ( 4858 PWs) bands (ev): -13.6845 -13.6845 -13.6284 -13.6284 -6.4719 -6.4719 -6.1952 -6.1952 -5.6986 -5.6986 -5.3825 -5.3825 -5.1438 -5.1438 -4.8906 -4.8906 -0.1874 -0.1874 -0.1742 -0.1742 1.5128 1.5128 1.6182 1.6182 1.7573 1.7573 1.8540 1.8540 6.4834 6.4834 6.5115 6.5115 6.5534 6.5534 7.3537 7.3537 7.5486 7.5486 7.8235 7.8235 7.9692 7.9692 8.2430 8.2430 8.4342 8.4342 8.4916 8.4916 8.8829 8.8829 9.6477 9.6477 9.8126 9.8126 9.9480 9.9480 10.1190 10.1190 10.5286 10.5286 10.7101 10.7101 10.9019 10.9019 15.2406 15.2406 16.6900 16.6900 17.2383 17.2383 17.2910 17.2910 17.3167 17.3167 17.8293 17.8293 k = 0.1750 0.1719 0.7134 ( 4854 PWs) bands (ev): -13.6808 -13.6808 -13.6321 -13.6321 -6.4514 -6.4514 -6.2108 -6.2108 -5.6824 -5.6824 -5.4081 -5.4081 -5.1275 -5.1275 -4.9075 -4.9075 -0.1866 -0.1866 -0.1747 -0.1747 1.5184 1.5184 1.6133 1.6133 1.7590 1.7590 1.8470 1.8470 6.4867 6.4867 6.5094 6.5094 6.6050 6.6050 7.4560 7.4560 7.4620 7.4620 7.8498 7.8498 7.9971 7.9971 8.2139 8.2139 8.4048 8.4048 8.4689 8.4689 8.9326 8.9326 9.6018 9.6018 9.7907 9.7907 9.9951 9.9951 10.0437 10.0437 10.5090 10.5090 10.7185 10.7185 10.8834 10.8834 15.3391 15.3391 16.5968 16.5968 17.2542 17.2542 17.2931 17.2931 17.3266 17.3266 17.7806 17.7806 k = 0.1875 0.1842 0.7134 ( 4850 PWs) bands (ev): -13.6770 -13.6770 -13.6360 -13.6360 -6.4303 -6.4303 -6.2274 -6.2274 -5.6649 -5.6649 -5.4340 -5.4340 -5.1105 -5.1105 -4.9250 -4.9250 -0.1857 -0.1857 -0.1754 -0.1754 1.5246 1.5246 1.6069 1.6069 1.7626 1.7626 1.8394 1.8394 6.4893 6.4893 6.5073 6.5073 6.6603 6.6603 7.3771 7.3771 7.5613 7.5613 7.8774 7.8774 8.0263 8.0263 8.1838 8.1838 8.3720 8.3720 8.4387 8.4387 8.9847 8.9847 9.5510 9.5510 9.7703 9.7703 9.9474 9.9474 10.0720 10.0720 10.4861 10.4861 10.7277 10.7277 10.8654 10.8654 15.4406 15.4406 16.4996 16.4996 17.2669 17.2669 17.2944 17.2944 17.3428 17.3428 17.7319 17.7319 k = 0.2000 0.1965 0.7134 ( 4856 PWs) bands (ev): -13.6731 -13.6731 -13.6400 -13.6400 -6.4089 -6.4089 -6.2449 -6.2449 -5.6462 -5.6462 -5.4599 -5.4599 -5.0929 -5.0929 -4.9431 -4.9431 -0.1847 -0.1847 -0.1762 -0.1762 1.5315 1.5315 1.5993 1.5993 1.7677 1.7677 1.8314 1.8314 6.4914 6.4914 6.5053 6.5053 6.7189 6.7189 7.2941 7.2941 7.6682 7.6682 7.9064 7.9064 8.0564 8.0564 8.1529 8.1529 8.3370 8.3370 8.3988 8.3988 9.0387 9.0387 9.4971 9.4971 9.7530 9.7530 9.8821 9.8821 10.1265 10.1265 10.4599 10.4599 10.7377 10.7377 10.8480 10.8480 15.5448 15.5448 16.3991 16.3991 17.2760 17.2760 17.2949 17.2949 17.3657 17.3657 17.6837 17.6837 k = 0.2125 0.2088 0.7134 ( 4858 PWs) bands (ev): -13.6691 -13.6691 -13.6440 -13.6440 -6.3874 -6.3874 -6.2634 -6.2634 -5.6262 -5.6262 -5.4857 -5.4857 -5.0748 -5.0748 -4.9616 -4.9616 -0.1836 -0.1836 -0.1771 -0.1771 1.5389 1.5389 1.5910 1.5910 1.7741 1.7741 1.8231 1.8231 6.4933 6.4933 6.5034 6.5034 6.7809 6.7809 7.2132 7.2132 7.7744 7.7744 7.9369 7.9369 8.0860 8.0860 8.1218 8.1218 8.2996 8.2996 8.3496 8.3496 9.0943 9.0943 9.4410 9.4410 9.7400 9.7400 9.8278 9.8278 10.1797 10.1797 10.4303 10.4303 10.7485 10.7485 10.8313 10.8313 15.6509 15.6509 16.2958 16.2958 17.2821 17.2821 17.2948 17.2948 17.3945 17.3945 17.6364 17.6364 k = 0.2250 0.2211 0.7134 ( 4836 PWs) bands (ev): -13.6650 -13.6650 -13.6482 -13.6482 -6.3658 -6.3658 -6.2827 -6.2827 -5.6052 -5.6052 -5.5110 -5.5110 -5.0562 -5.0562 -4.9804 -4.9804 -0.1825 -0.1825 -0.1781 -0.1781 1.5470 1.5470 1.5822 1.5822 1.7813 1.7813 1.8146 1.8146 6.4951 6.4951 6.5017 6.5017 6.8459 6.8459 7.1346 7.1346 7.8771 7.8771 7.9694 7.9694 8.0870 8.0870 8.1160 8.1160 8.2577 8.2577 8.2968 8.2968 9.1511 9.1511 9.3837 9.3837 9.7324 9.7324 9.7860 9.7860 10.2299 10.2299 10.3972 10.3972 10.7602 10.7602 10.8154 10.8154 15.7584 15.7584 16.1903 16.1903 17.2863 17.2863 17.2943 17.2943 17.4277 17.4277 17.5905 17.5905 k = 0.2375 0.2333 0.7134 ( 4840 PWs) bands (ev): -13.6608 -13.6608 -13.6524 -13.6524 -6.3444 -6.3444 -6.3027 -6.3027 -5.5830 -5.5830 -5.5358 -5.5358 -5.0374 -5.0374 -4.9994 -4.9994 -0.1814 -0.1814 -0.1791 -0.1791 1.5554 1.5554 1.5732 1.5732 1.7892 1.7892 1.8060 1.8060 6.4967 6.4967 6.5000 6.5000 6.9139 6.9139 7.0584 7.0584 7.9669 7.9669 8.0099 8.0099 8.0548 8.0548 8.1243 8.1243 8.2173 8.2173 8.2524 8.2524 9.2089 9.2089 9.3256 9.3256 9.7316 9.7316 9.7568 9.7568 10.2770 10.2770 10.3606 10.3606 10.7727 10.7727 10.8003 10.8003 15.8667 15.8667 16.0832 16.0832 17.2893 17.2893 17.2932 17.2932 17.4644 17.4644 17.5462 17.5462 k = 0.2500 0.2456 0.7134 ( 4836 PWs) bands (ev): -13.6566 -13.6566 -13.6566 -13.6566 -6.3233 -6.3233 -6.3233 -6.3233 -5.5598 -5.5598 -5.5598 -5.5598 -5.0184 -5.0184 -5.0184 -5.0184 -0.1802 -0.1802 -0.1802 -0.1802 1.5642 1.5642 1.5642 1.5642 1.7975 1.7975 1.7975 1.7975 6.4983 6.4983 6.4983 6.4983 6.9848 6.9848 6.9848 6.9848 8.0195 8.0195 8.0195 8.0195 8.0763 8.0763 8.0763 8.0763 8.2207 8.2207 8.2207 8.2207 9.2672 9.2672 9.2672 9.2672 9.7392 9.7392 9.7392 9.7392 10.3205 10.3205 10.3205 10.3205 10.7861 10.7861 10.7861 10.7861 15.9752 15.9752 15.9752 15.9752 17.2916 17.2916 17.2916 17.2916 17.5041 17.5041 17.5041 17.5041 Writing output data file BaZrO3.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 554.12s CPU 560.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 554.11s CPU 560.68s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 308 calls) cegterg : 527.60s CPU 533.57s WALL ( 1075 calls) Called by sum_band: Called by *egterg: h_psi : 247.60s CPU 250.81s WALL ( 20464 calls) s_psi : 13.41s CPU 13.55s WALL ( 20464 calls) g_psi : 0.56s CPU 0.61s WALL ( 19081 calls) cdiaghg : 225.76s CPU 228.89s WALL ( 19389 calls) cegterg:over : 21.84s CPU 21.68s WALL ( 19081 calls) cegterg:upda : 21.37s CPU 21.45s WALL ( 19081 calls) cegterg:last : 8.07s CPU 7.94s WALL ( 1999 calls) cdiaghg:chol : 12.99s CPU 13.23s WALL ( 19389 calls) cdiaghg:inve : 9.33s CPU 9.52s WALL ( 19389 calls) cdiaghg:para : 15.84s CPU 15.89s WALL ( 38778 calls) Called by h_psi: h_psi:vloc : 210.65s CPU 214.05s WALL ( 20464 calls) h_psi:vnl : 36.10s CPU 35.95s WALL ( 20464 calls) add_vuspsi : 17.68s CPU 17.44s WALL ( 20464 calls) General routines calbec : 18.34s CPU 18.45s WALL ( 20464 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 196.26s CPU 199.27s WALL ( 1833780 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.28s WALL ( 616 calls) Parallel routines fft_scatter : 69.47s CPU 70.12s WALL ( 1833803 calls) PWSCF : 9m36.88s CPU 10m 2.84s WALL This run was terminated on: 14:18: 5 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=