Program PWSCF v.5.1.1 starts on 20Jul2015 at 6:53:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 19 5 1723 757 119 Max 34 20 6 1734 776 128 Sum 1585 921 277 83063 36667 5889 bravais-lattice index = 14 lattice parameter (alat) = 7.8034 a.u. unit-cell volume = 843.4934 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.803434 celldm(2)= 1.007531 celldm(3)= 1.797138 celldm(4)= 0.197230 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.007531 0.000000 ) a(3) = ( 0.000000 0.354449 1.761837 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.992525 -0.199677 ) b(3) = ( 0.000000 0.000000 0.567589 ) PseudoPot. # 1 for O read from file: /home/autes/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 PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0000000 0.0000000 0.0128998), wk = 0.0034483 k( 3) = ( 0.0000000 0.0000000 0.0257995), wk = 0.0034483 k( 4) = ( 0.0000000 0.0000000 0.0386993), wk = 0.0034483 k( 5) = ( 0.0000000 0.0000000 0.0515990), wk = 0.0034483 k( 6) = ( 0.0000000 0.0000000 0.0644988), wk = 0.0034483 k( 7) = ( 0.0000000 0.0000000 0.0773986), wk = 0.0034483 k( 8) = ( 0.0000000 0.0000000 0.0902983), wk = 0.0034483 k( 9) = ( 0.0000000 0.0000000 0.1031981), wk = 0.0034483 k( 10) = ( 0.0000000 0.0000000 0.1160978), wk = 0.0034483 k( 11) = ( 0.0000000 0.0000000 0.1289976), wk = 0.0034483 k( 12) = ( 0.0000000 0.0000000 0.1418973), wk = 0.0034483 k( 13) = ( 0.0000000 0.0000000 0.1547971), wk = 0.0034483 k( 14) = ( 0.0000000 0.0000000 0.1676969), wk = 0.0034483 k( 15) = ( 0.0000000 0.0000000 0.1805966), wk = 0.0034483 k( 16) = ( 0.0000000 0.0000000 0.1934964), wk = 0.0034483 k( 17) = ( 0.0000000 0.0000000 0.2063961), wk = 0.0034483 k( 18) = ( 0.0000000 0.0000000 0.2192959), wk = 0.0034483 k( 19) = ( 0.0000000 0.0000000 0.2321957), wk = 0.0034483 k( 20) = ( 0.0000000 0.0000000 0.2450954), wk = 0.0034483 k( 21) = ( 0.0000000 0.0000000 0.2579952), wk = 0.0034483 k( 22) = ( 0.0000000 0.0000000 0.2708949), wk = 0.0034483 k( 23) = ( 0.0000000 0.0000000 0.2837947), wk = 0.0034483 k( 24) = ( 0.0000000 0.0000000 0.2837947), wk = 0.0034483 k( 25) = ( 0.0000000 0.0131215 0.2837947), wk = 0.0034483 k( 26) = ( 0.0000000 0.0262431 0.2837947), wk = 0.0034483 k( 27) = ( 0.0000000 0.0393646 0.2837947), wk = 0.0034483 k( 28) = ( 0.0000000 0.0524862 0.2837947), wk = 0.0034483 k( 29) = ( 0.0000000 0.0656077 0.2837947), wk = 0.0034483 k( 30) = ( 0.0000000 0.0787293 0.2837947), wk = 0.0034483 k( 31) = ( 0.0000000 0.0918508 0.2837947), wk = 0.0034483 k( 32) = ( 0.0000000 0.1049723 0.2837947), wk = 0.0034483 k( 33) = ( 0.0000000 0.1180939 0.2837947), wk = 0.0034483 k( 34) = ( 0.0000000 0.1312154 0.2837947), wk = 0.0034483 k( 35) = ( 0.0000000 0.1443370 0.2837947), wk = 0.0034483 k( 36) = ( 0.0000000 0.1574585 0.2837947), wk = 0.0034483 k( 37) = ( 0.0000000 0.1705800 0.2837947), wk = 0.0034483 k( 38) = ( 0.0000000 0.1837016 0.2837947), wk = 0.0034483 k( 39) = ( 0.0000000 0.1968231 0.2837947), wk = 0.0034483 k( 40) = ( 0.0000000 0.2099447 0.2837947), wk = 0.0034483 k( 41) = ( 0.0000000 0.2230662 0.2837947), wk = 0.0034483 k( 42) = ( 0.0000000 0.2361878 0.2837947), wk = 0.0034483 k( 43) = ( 0.0000000 0.2493093 0.2837947), wk = 0.0034483 k( 44) = ( 0.0000000 0.2624308 0.2837947), wk = 0.0034483 k( 45) = ( 0.0000000 0.2755524 0.2837947), wk = 0.0034483 k( 46) = ( 0.0000000 0.2886739 0.2837947), wk = 0.0034483 k( 47) = ( 0.0000000 0.3017955 0.2837947), wk = 0.0034483 k( 48) = ( 0.0000000 0.3149170 0.2837947), wk = 0.0034483 k( 49) = ( 0.0000000 0.3280385 0.2837947), wk = 0.0034483 k( 50) = ( 0.0000000 0.3411601 0.2837947), wk = 0.0034483 k( 51) = ( 0.0000000 0.3542816 0.2837947), wk = 0.0034483 k( 52) = ( 0.0000000 0.3674032 0.2837947), wk = 0.0034483 k( 53) = ( 0.0000000 0.3805247 0.2837947), wk = 0.0034483 k( 54) = ( 0.0000000 0.3936463 0.2837947), wk = 0.0034483 k( 55) = ( 0.0000000 0.4067678 0.2837947), wk = 0.0034483 k( 56) = ( 0.0000000 0.4198893 0.2837947), wk = 0.0034483 k( 57) = ( 0.0000000 0.4330109 0.2837947), wk = 0.0034483 k( 58) = ( 0.0000000 0.4461324 0.2837947), wk = 0.0034483 k( 59) = ( 0.0000000 0.4592540 0.2837947), wk = 0.0034483 k( 60) = ( 0.0000000 0.4592540 0.2837947), wk = 0.0034483 k( 61) = ( 0.0000000 0.4633660 0.2727015), wk = 0.0034483 k( 62) = ( 0.0000000 0.4674781 0.2616083), wk = 0.0034483 k( 63) = ( 0.0000000 0.4715901 0.2505151), wk = 0.0034483 k( 64) = ( 0.0000000 0.4757022 0.2394219), wk = 0.0034483 k( 65) = ( 0.0000000 0.4798142 0.2283287), wk = 0.0034483 k( 66) = ( 0.0000000 0.4839263 0.2172355), wk = 0.0034483 k( 67) = ( 0.0000000 0.4880384 0.2061423), wk = 0.0034483 k( 68) = ( 0.0000000 0.4921504 0.1950491), wk = 0.0034483 k( 69) = ( 0.0000000 0.4962625 0.1839559), wk = 0.0034483 k( 70) = ( 0.0000000 0.4962625 0.1839559), wk = 0.0034483 k( 71) = ( 0.0128205 0.4962625 0.1839559), wk = 0.0034483 k( 72) = ( 0.0256410 0.4962625 0.1839559), wk = 0.0034483 k( 73) = ( 0.0384615 0.4962625 0.1839559), wk = 0.0034483 k( 74) = ( 0.0512821 0.4962625 0.1839559), wk = 0.0034483 k( 75) = ( 0.0641026 0.4962625 0.1839559), wk = 0.0034483 k( 76) = ( 0.0769231 0.4962625 0.1839559), wk = 0.0034483 k( 77) = ( 0.0897436 0.4962625 0.1839559), wk = 0.0034483 k( 78) = ( 0.1025641 0.4962625 0.1839559), wk = 0.0034483 k( 79) = ( 0.1153846 0.4962625 0.1839559), wk = 0.0034483 k( 80) = ( 0.1282051 0.4962625 0.1839559), wk = 0.0034483 k( 81) = ( 0.1410256 0.4962625 0.1839559), wk = 0.0034483 k( 82) = ( 0.1538461 0.4962625 0.1839559), wk = 0.0034483 k( 83) = ( 0.1666667 0.4962625 0.1839559), wk = 0.0034483 k( 84) = ( 0.1794872 0.4962625 0.1839559), wk = 0.0034483 k( 85) = ( 0.1923077 0.4962625 0.1839559), wk = 0.0034483 k( 86) = ( 0.2051282 0.4962625 0.1839559), wk = 0.0034483 k( 87) = ( 0.2179487 0.4962625 0.1839559), wk = 0.0034483 k( 88) = ( 0.2307692 0.4962625 0.1839559), wk = 0.0034483 k( 89) = ( 0.2435897 0.4962625 0.1839559), wk = 0.0034483 k( 90) = ( 0.2564103 0.4962625 0.1839559), wk = 0.0034483 k( 91) = ( 0.2692308 0.4962625 0.1839559), wk = 0.0034483 k( 92) = ( 0.2820513 0.4962625 0.1839559), wk = 0.0034483 k( 93) = ( 0.2948718 0.4962625 0.1839559), wk = 0.0034483 k( 94) = ( 0.3076923 0.4962625 0.1839559), wk = 0.0034483 k( 95) = ( 0.3205128 0.4962625 0.1839559), wk = 0.0034483 k( 96) = ( 0.3333333 0.4962625 0.1839559), wk = 0.0034483 k( 97) = ( 0.3461538 0.4962625 0.1839559), wk = 0.0034483 k( 98) = ( 0.3589744 0.4962625 0.1839559), wk = 0.0034483 k( 99) = ( 0.3717949 0.4962625 0.1839559), wk = 0.0034483 k( 100) = ( 0.3846154 0.4962625 0.1839559), wk = 0.0034483 k( 101) = ( 0.3974359 0.4962625 0.1839559), wk = 0.0034483 k( 102) = ( 0.4102564 0.4962625 0.1839559), wk = 0.0034483 k( 103) = ( 0.4230769 0.4962625 0.1839559), wk = 0.0034483 k( 104) = ( 0.4358974 0.4962625 0.1839559), wk = 0.0034483 k( 105) = ( 0.4487179 0.4962625 0.1839559), wk = 0.0034483 k( 106) = ( 0.4615385 0.4962625 0.1839559), wk = 0.0034483 k( 107) = ( 0.4743590 0.4962625 0.1839559), wk = 0.0034483 k( 108) = ( 0.4871795 0.4962625 0.1839559), wk = 0.0034483 k( 109) = ( 0.5000000 0.4962625 0.1839559), wk = 0.0034483 k( 110) = ( 0.5000000 0.4962625 0.1839559), wk = 0.0034483 k( 111) = ( 0.5000000 0.5003745 0.1728628), wk = 0.0034483 k( 112) = ( 0.5000000 0.5044866 0.1617696), wk = 0.0034483 k( 113) = ( 0.5000000 0.5085986 0.1506764), wk = 0.0034483 k( 114) = ( 0.5000000 0.5127107 0.1395832), wk = 0.0034483 k( 115) = ( 0.5000000 0.5168228 0.1284900), wk = 0.0034483 k( 116) = ( 0.5000000 0.5209348 0.1173968), wk = 0.0034483 k( 117) = ( 0.5000000 0.5250469 0.1063036), wk = 0.0034483 k( 118) = ( 0.5000000 0.5291589 0.0952104), wk = 0.0034483 k( 119) = ( 0.5000000 0.5332710 0.0841172), wk = 0.0034483 k( 120) = ( 0.5000000 0.5332710 0.0841172), wk = 0.0034483 k( 121) = ( 0.5000000 0.5308037 0.0718535), wk = 0.0034483 k( 122) = ( 0.5000000 0.5283365 0.0595897), wk = 0.0034483 k( 123) = ( 0.5000000 0.5258693 0.0473260), wk = 0.0034483 k( 124) = ( 0.5000000 0.5234020 0.0350623), wk = 0.0034483 k( 125) = ( 0.5000000 0.5209348 0.0227986), wk = 0.0034483 k( 126) = ( 0.5000000 0.5184676 0.0105348), wk = 0.0034483 k( 127) = ( 0.5000000 0.5160003 -0.0017289), wk = 0.0034483 k( 128) = ( 0.5000000 0.5135331 -0.0139926), wk = 0.0034483 k( 129) = ( 0.5000000 0.5110659 -0.0262564), wk = 0.0034483 k( 130) = ( 0.5000000 0.5085986 -0.0385201), wk = 0.0034483 k( 131) = ( 0.5000000 0.5061314 -0.0507838), wk = 0.0034483 k( 132) = ( 0.5000000 0.5036642 -0.0630476), wk = 0.0034483 k( 133) = ( 0.5000000 0.5011969 -0.0753113), wk = 0.0034483 k( 134) = ( 0.5000000 0.4987297 -0.0875750), wk = 0.0034483 k( 135) = ( 0.5000000 0.4962625 -0.0998387), wk = 0.0034483 k( 136) = ( 0.5000000 0.4962625 -0.0998387), wk = 0.0034483 k( 137) = ( 0.4871795 0.4962625 -0.0998387), wk = 0.0034483 k( 138) = ( 0.4743590 0.4962625 -0.0998387), wk = 0.0034483 k( 139) = ( 0.4615385 0.4962625 -0.0998387), wk = 0.0034483 k( 140) = ( 0.4487179 0.4962625 -0.0998387), wk = 0.0034483 k( 141) = ( 0.4358974 0.4962625 -0.0998387), wk = 0.0034483 k( 142) = ( 0.4230769 0.4962625 -0.0998387), wk = 0.0034483 k( 143) = ( 0.4102564 0.4962625 -0.0998387), wk = 0.0034483 k( 144) = ( 0.3974359 0.4962625 -0.0998387), wk = 0.0034483 k( 145) = ( 0.3846154 0.4962625 -0.0998387), wk = 0.0034483 k( 146) = ( 0.3717949 0.4962625 -0.0998387), wk = 0.0034483 k( 147) = ( 0.3589744 0.4962625 -0.0998387), wk = 0.0034483 k( 148) = ( 0.3461538 0.4962625 -0.0998387), wk = 0.0034483 k( 149) = ( 0.3333333 0.4962625 -0.0998387), wk = 0.0034483 k( 150) = ( 0.3205128 0.4962625 -0.0998387), wk = 0.0034483 k( 151) = ( 0.3076923 0.4962625 -0.0998387), wk = 0.0034483 k( 152) = ( 0.2948718 0.4962625 -0.0998387), wk = 0.0034483 k( 153) = ( 0.2820513 0.4962625 -0.0998387), wk = 0.0034483 k( 154) = ( 0.2692308 0.4962625 -0.0998387), wk = 0.0034483 k( 155) = ( 0.2564103 0.4962625 -0.0998387), wk = 0.0034483 k( 156) = ( 0.2435897 0.4962625 -0.0998387), wk = 0.0034483 k( 157) = ( 0.2307692 0.4962625 -0.0998387), wk = 0.0034483 k( 158) = ( 0.2179487 0.4962625 -0.0998387), wk = 0.0034483 k( 159) = ( 0.2051282 0.4962625 -0.0998387), wk = 0.0034483 k( 160) = ( 0.1923077 0.4962625 -0.0998387), wk = 0.0034483 k( 161) = ( 0.1794872 0.4962625 -0.0998387), wk = 0.0034483 k( 162) = ( 0.1666667 0.4962625 -0.0998387), wk = 0.0034483 k( 163) = ( 0.1538461 0.4962625 -0.0998387), wk = 0.0034483 k( 164) = ( 0.1410256 0.4962625 -0.0998387), wk = 0.0034483 k( 165) = ( 0.1282051 0.4962625 -0.0998387), wk = 0.0034483 k( 166) = ( 0.1153846 0.4962625 -0.0998387), wk = 0.0034483 k( 167) = ( 0.1025641 0.4962625 -0.0998387), wk = 0.0034483 k( 168) = ( 0.0897436 0.4962625 -0.0998387), wk = 0.0034483 k( 169) = ( 0.0769231 0.4962625 -0.0998387), wk = 0.0034483 k( 170) = ( 0.0641026 0.4962625 -0.0998387), wk = 0.0034483 k( 171) = ( 0.0512821 0.4962625 -0.0998387), wk = 0.0034483 k( 172) = ( 0.0384615 0.4962625 -0.0998387), wk = 0.0034483 k( 173) = ( 0.0256410 0.4962625 -0.0998387), wk = 0.0034483 k( 174) = ( 0.0128205 0.4962625 -0.0998387), wk = 0.0034483 k( 175) = ( 0.0000000 0.4962625 -0.0998387), wk = 0.0034483 k( 176) = ( 0.0000000 0.4962625 -0.0998387), wk = 0.0034483 k( 177) = ( 0.0000000 0.4987297 -0.0875750), wk = 0.0034483 k( 178) = ( 0.0000000 0.5011969 -0.0753113), wk = 0.0034483 k( 179) = ( 0.0000000 0.5036642 -0.0630476), wk = 0.0034483 k( 180) = ( 0.0000000 0.5061314 -0.0507838), wk = 0.0034483 k( 181) = ( 0.0000000 0.5085986 -0.0385201), wk = 0.0034483 k( 182) = ( 0.0000000 0.5110659 -0.0262564), wk = 0.0034483 k( 183) = ( 0.0000000 0.5135331 -0.0139926), wk = 0.0034483 k( 184) = ( 0.0000000 0.5160003 -0.0017289), wk = 0.0034483 k( 185) = ( 0.0000000 0.5184676 0.0105348), wk = 0.0034483 k( 186) = ( 0.0000000 0.5209348 0.0227986), wk = 0.0034483 k( 187) = ( 0.0000000 0.5234020 0.0350623), wk = 0.0034483 k( 188) = ( 0.0000000 0.5258693 0.0473260), wk = 0.0034483 k( 189) = ( 0.0000000 0.5283365 0.0595897), wk = 0.0034483 k( 190) = ( 0.0000000 0.5308037 0.0718535), wk = 0.0034483 k( 191) = ( 0.0000000 0.5332710 0.0841172), wk = 0.0034483 k( 192) = ( 0.5000000 0.4592540 0.2837947), wk = 0.0034483 k( 193) = ( 0.5000000 0.4461324 0.2837947), wk = 0.0034483 k( 194) = ( 0.5000000 0.4330109 0.2837947), wk = 0.0034483 k( 195) = ( 0.5000000 0.4198893 0.2837947), wk = 0.0034483 k( 196) = ( 0.5000000 0.4067678 0.2837947), wk = 0.0034483 k( 197) = ( 0.5000000 0.3936463 0.2837947), wk = 0.0034483 k( 198) = ( 0.5000000 0.3805247 0.2837947), wk = 0.0034483 k( 199) = ( 0.5000000 0.3674032 0.2837947), wk = 0.0034483 k( 200) = ( 0.5000000 0.3542816 0.2837947), wk = 0.0034483 k( 201) = ( 0.5000000 0.3411601 0.2837947), wk = 0.0034483 k( 202) = ( 0.5000000 0.3280385 0.2837947), wk = 0.0034483 k( 203) = ( 0.5000000 0.3149170 0.2837947), wk = 0.0034483 k( 204) = ( 0.5000000 0.3017955 0.2837947), wk = 0.0034483 k( 205) = ( 0.5000000 0.2886739 0.2837947), wk = 0.0034483 k( 206) = ( 0.5000000 0.2755524 0.2837947), wk = 0.0034483 k( 207) = ( 0.5000000 0.2624308 0.2837947), wk = 0.0034483 k( 208) = ( 0.5000000 0.2493093 0.2837947), wk = 0.0034483 k( 209) = ( 0.5000000 0.2361878 0.2837947), wk = 0.0034483 k( 210) = ( 0.5000000 0.2230662 0.2837947), wk = 0.0034483 k( 211) = ( 0.5000000 0.2099447 0.2837947), wk = 0.0034483 k( 212) = ( 0.5000000 0.1968231 0.2837947), wk = 0.0034483 k( 213) = ( 0.5000000 0.1837016 0.2837947), wk = 0.0034483 k( 214) = ( 0.5000000 0.1705800 0.2837947), wk = 0.0034483 k( 215) = ( 0.5000000 0.1574585 0.2837947), wk = 0.0034483 k( 216) = ( 0.5000000 0.1443370 0.2837947), wk = 0.0034483 k( 217) = ( 0.5000000 0.1312154 0.2837947), wk = 0.0034483 k( 218) = ( 0.5000000 0.1180939 0.2837947), wk = 0.0034483 k( 219) = ( 0.5000000 0.1049723 0.2837947), wk = 0.0034483 k( 220) = ( 0.5000000 0.0918508 0.2837947), wk = 0.0034483 k( 221) = ( 0.5000000 0.0787293 0.2837947), wk = 0.0034483 k( 222) = ( 0.5000000 0.0656077 0.2837947), wk = 0.0034483 k( 223) = ( 0.5000000 0.0524862 0.2837947), wk = 0.0034483 k( 224) = ( 0.5000000 0.0393646 0.2837947), wk = 0.0034483 k( 225) = ( 0.5000000 0.0262431 0.2837947), wk = 0.0034483 k( 226) = ( 0.5000000 0.0131215 0.2837947), wk = 0.0034483 k( 227) = ( 0.5000000 -0.0000000 0.2837947), wk = 0.0034483 k( 228) = ( 0.5000000 -0.0000000 0.2837947), wk = 0.0034483 k( 229) = ( 0.5000000 -0.0000000 0.2708949), wk = 0.0034483 k( 230) = ( 0.5000000 -0.0000000 0.2579952), wk = 0.0034483 k( 231) = ( 0.5000000 -0.0000000 0.2450954), wk = 0.0034483 k( 232) = ( 0.5000000 -0.0000000 0.2321957), wk = 0.0034483 k( 233) = ( 0.5000000 -0.0000000 0.2192959), wk = 0.0034483 k( 234) = ( 0.5000000 -0.0000000 0.2063961), wk = 0.0034483 k( 235) = ( 0.5000000 -0.0000000 0.1934964), wk = 0.0034483 k( 236) = ( 0.5000000 -0.0000000 0.1805966), wk = 0.0034483 k( 237) = ( 0.5000000 -0.0000000 0.1676969), wk = 0.0034483 k( 238) = ( 0.5000000 -0.0000000 0.1547971), wk = 0.0034483 k( 239) = ( 0.5000000 -0.0000000 0.1418973), wk = 0.0034483 k( 240) = ( 0.5000000 -0.0000000 0.1289976), wk = 0.0034483 k( 241) = ( 0.5000000 -0.0000000 0.1160978), wk = 0.0034483 k( 242) = ( 0.5000000 -0.0000000 0.1031981), wk = 0.0034483 k( 243) = ( 0.5000000 -0.0000000 0.0902983), wk = 0.0034483 k( 244) = ( 0.5000000 -0.0000000 0.0773986), wk = 0.0034483 k( 245) = ( 0.5000000 -0.0000000 0.0644988), wk = 0.0034483 k( 246) = ( 0.5000000 -0.0000000 0.0515990), wk = 0.0034483 k( 247) = ( 0.5000000 -0.0000000 0.0386993), wk = 0.0034483 k( 248) = ( 0.5000000 -0.0000000 0.0257995), wk = 0.0034483 k( 249) = ( 0.5000000 -0.0000000 0.0128998), wk = 0.0034483 k( 250) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 251) = ( 0.0000000 0.0000000 0.2837947), wk = 0.0034483 k( 252) = ( 0.0128205 -0.0000000 0.2837947), wk = 0.0034483 k( 253) = ( 0.0256410 -0.0000000 0.2837947), wk = 0.0034483 k( 254) = ( 0.0384615 -0.0000000 0.2837947), wk = 0.0034483 k( 255) = ( 0.0512821 -0.0000000 0.2837947), wk = 0.0034483 k( 256) = ( 0.0641026 -0.0000000 0.2837947), wk = 0.0034483 k( 257) = ( 0.0769231 -0.0000000 0.2837947), wk = 0.0034483 k( 258) = ( 0.0897436 -0.0000000 0.2837947), wk = 0.0034483 k( 259) = ( 0.1025641 -0.0000000 0.2837947), wk = 0.0034483 k( 260) = ( 0.1153846 -0.0000000 0.2837947), wk = 0.0034483 k( 261) = ( 0.1282051 -0.0000000 0.2837947), wk = 0.0034483 k( 262) = ( 0.1410256 -0.0000000 0.2837947), wk = 0.0034483 k( 263) = ( 0.1538461 -0.0000000 0.2837947), wk = 0.0034483 k( 264) = ( 0.1666667 -0.0000000 0.2837947), wk = 0.0034483 k( 265) = ( 0.1794872 -0.0000000 0.2837947), wk = 0.0034483 k( 266) = ( 0.1923077 -0.0000000 0.2837947), wk = 0.0034483 k( 267) = ( 0.2051282 -0.0000000 0.2837947), wk = 0.0034483 k( 268) = ( 0.2179487 -0.0000000 0.2837947), wk = 0.0034483 k( 269) = ( 0.2307692 -0.0000000 0.2837947), wk = 0.0034483 k( 270) = ( 0.2435897 -0.0000000 0.2837947), wk = 0.0034483 k( 271) = ( 0.2564103 -0.0000000 0.2837947), wk = 0.0034483 k( 272) = ( 0.2692308 -0.0000000 0.2837947), wk = 0.0034483 k( 273) = ( 0.2820513 -0.0000000 0.2837947), wk = 0.0034483 k( 274) = ( 0.2948718 -0.0000000 0.2837947), wk = 0.0034483 k( 275) = ( 0.3076923 -0.0000000 0.2837947), wk = 0.0034483 k( 276) = ( 0.3205128 -0.0000000 0.2837947), wk = 0.0034483 k( 277) = ( 0.3333333 -0.0000000 0.2837947), wk = 0.0034483 k( 278) = ( 0.3461538 -0.0000000 0.2837947), wk = 0.0034483 k( 279) = ( 0.3589744 -0.0000000 0.2837947), wk = 0.0034483 k( 280) = ( 0.3717949 -0.0000000 0.2837947), wk = 0.0034483 k( 281) = ( 0.3846154 -0.0000000 0.2837947), wk = 0.0034483 k( 282) = ( 0.3974359 -0.0000000 0.2837947), wk = 0.0034483 k( 283) = ( 0.4102564 -0.0000000 0.2837947), wk = 0.0034483 k( 284) = ( 0.4230769 -0.0000000 0.2837947), wk = 0.0034483 k( 285) = ( 0.4358974 -0.0000000 0.2837947), wk = 0.0034483 k( 286) = ( 0.4487179 -0.0000000 0.2837947), wk = 0.0034483 k( 287) = ( 0.4615385 -0.0000000 0.2837947), wk = 0.0034483 k( 288) = ( 0.4743590 -0.0000000 0.2837947), wk = 0.0034483 k( 289) = ( 0.4871795 -0.0000000 0.2837947), wk = 0.0034483 k( 290) = ( 0.5000000 -0.0000000 0.2837947), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0034483 k( 3) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0034483 k( 4) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0034483 k( 5) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0034483 k( 6) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0034483 k( 7) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0034483 k( 8) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0034483 k( 9) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0034483 k( 10) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0034483 k( 11) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0034483 k( 12) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034483 k( 13) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0034483 k( 14) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0034483 k( 15) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0034483 k( 16) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0034483 k( 17) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0034483 k( 18) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0034483 k( 19) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0034483 k( 20) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0034483 k( 21) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0034483 k( 22) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0034483 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 25) = ( 0.0000000 0.0132204 0.5046509), wk = 0.0034483 k( 26) = ( 0.0000000 0.0264407 0.5093018), wk = 0.0034483 k( 27) = ( 0.0000000 0.0396611 0.5139527), wk = 0.0034483 k( 28) = ( 0.0000000 0.0528815 0.5186037), wk = 0.0034483 k( 29) = ( 0.0000000 0.0661018 0.5232546), wk = 0.0034483 k( 30) = ( 0.0000000 0.0793222 0.5279055), wk = 0.0034483 k( 31) = ( 0.0000000 0.0925426 0.5325564), wk = 0.0034483 k( 32) = ( 0.0000000 0.1057629 0.5372073), wk = 0.0034483 k( 33) = ( 0.0000000 0.1189833 0.5418582), wk = 0.0034483 k( 34) = ( 0.0000000 0.1322037 0.5465091), wk = 0.0034483 k( 35) = ( 0.0000000 0.1454240 0.5511601), wk = 0.0034483 k( 36) = ( 0.0000000 0.1586444 0.5558110), wk = 0.0034483 k( 37) = ( 0.0000000 0.1718647 0.5604619), wk = 0.0034483 k( 38) = ( 0.0000000 0.1850851 0.5651128), wk = 0.0034483 k( 39) = ( 0.0000000 0.1983055 0.5697637), wk = 0.0034483 k( 40) = ( 0.0000000 0.2115258 0.5744146), wk = 0.0034483 k( 41) = ( 0.0000000 0.2247462 0.5790655), wk = 0.0034483 k( 42) = ( 0.0000000 0.2379666 0.5837165), wk = 0.0034483 k( 43) = ( 0.0000000 0.2511869 0.5883674), wk = 0.0034483 k( 44) = ( 0.0000000 0.2644073 0.5930183), wk = 0.0034483 k( 45) = ( 0.0000000 0.2776277 0.5976692), wk = 0.0034483 k( 46) = ( 0.0000000 0.2908480 0.6023201), wk = 0.0034483 k( 47) = ( 0.0000000 0.3040684 0.6069710), wk = 0.0034483 k( 48) = ( 0.0000000 0.3172888 0.6116219), wk = 0.0034483 k( 49) = ( 0.0000000 0.3305091 0.6162728), wk = 0.0034483 k( 50) = ( 0.0000000 0.3437295 0.6209238), wk = 0.0034483 k( 51) = ( 0.0000000 0.3569499 0.6255747), wk = 0.0034483 k( 52) = ( 0.0000000 0.3701702 0.6302256), wk = 0.0034483 k( 53) = ( 0.0000000 0.3833906 0.6348765), wk = 0.0034483 k( 54) = ( 0.0000000 0.3966110 0.6395274), wk = 0.0034483 k( 55) = ( 0.0000000 0.4098313 0.6441783), wk = 0.0034483 k( 56) = ( 0.0000000 0.4230517 0.6488292), wk = 0.0034483 k( 57) = ( 0.0000000 0.4362720 0.6534802), wk = 0.0034483 k( 58) = ( 0.0000000 0.4494924 0.6581311), wk = 0.0034483 k( 59) = ( 0.0000000 0.4627128 0.6627820), wk = 0.0034483 k( 60) = ( 0.0000000 0.4627128 0.6627820), wk = 0.0034483 k( 61) = ( 0.0000000 0.4668558 0.6446951), wk = 0.0034483 k( 62) = ( 0.0000000 0.4709988 0.6266082), wk = 0.0034483 k( 63) = ( 0.0000000 0.4751418 0.6085213), wk = 0.0034483 k( 64) = ( 0.0000000 0.4792849 0.5904344), wk = 0.0034483 k( 65) = ( 0.0000000 0.4834279 0.5723476), wk = 0.0034483 k( 66) = ( 0.0000000 0.4875709 0.5542607), wk = 0.0034483 k( 67) = ( 0.0000000 0.4917140 0.5361738), wk = 0.0034483 k( 68) = ( 0.0000000 0.4958570 0.5180869), wk = 0.0034483 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034483 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034483 k( 71) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0034483 k( 72) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0034483 k( 73) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0034483 k( 74) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0034483 k( 75) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0034483 k( 76) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0034483 k( 77) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0034483 k( 78) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0034483 k( 79) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0034483 k( 80) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0034483 k( 81) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0034483 k( 82) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0034483 k( 83) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0034483 k( 84) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0034483 k( 85) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0034483 k( 86) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0034483 k( 87) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0034483 k( 88) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0034483 k( 89) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0034483 k( 90) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0034483 k( 91) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0034483 k( 92) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0034483 k( 93) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0034483 k( 94) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0034483 k( 95) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0034483 k( 96) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0034483 k( 97) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0034483 k( 98) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0034483 k( 99) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0034483 k( 100) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0034483 k( 101) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0034483 k( 102) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0034483 k( 103) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0034483 k( 104) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0034483 k( 105) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0034483 k( 106) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0034483 k( 107) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0034483 k( 108) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0034483 k( 109) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 110) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 111) = ( 0.5000000 0.5041430 0.4819131), wk = 0.0034483 k( 112) = ( 0.5000000 0.5082861 0.4638262), wk = 0.0034483 k( 113) = ( 0.5000000 0.5124291 0.4457393), wk = 0.0034483 k( 114) = ( 0.5000000 0.5165721 0.4276525), wk = 0.0034483 k( 115) = ( 0.5000000 0.5207151 0.4095656), wk = 0.0034483 k( 116) = ( 0.5000000 0.5248582 0.3914787), wk = 0.0034483 k( 117) = ( 0.5000000 0.5290012 0.3733918), wk = 0.0034483 k( 118) = ( 0.5000000 0.5331442 0.3553049), wk = 0.0034483 k( 119) = ( 0.5000000 0.5372872 0.3372180), wk = 0.0034483 k( 120) = ( 0.5000000 0.5372872 0.3372180), wk = 0.0034483 k( 121) = ( 0.5000000 0.5348014 0.3147368), wk = 0.0034483 k( 122) = ( 0.5000000 0.5323156 0.2922556), wk = 0.0034483 k( 123) = ( 0.5000000 0.5298298 0.2697744), wk = 0.0034483 k( 124) = ( 0.5000000 0.5273440 0.2472932), wk = 0.0034483 k( 125) = ( 0.5000000 0.5248582 0.2248120), wk = 0.0034483 k( 126) = ( 0.5000000 0.5223723 0.2023308), wk = 0.0034483 k( 127) = ( 0.5000000 0.5198865 0.1798496), wk = 0.0034483 k( 128) = ( 0.5000000 0.5174007 0.1573684), wk = 0.0034483 k( 129) = ( 0.5000000 0.5149149 0.1348872), wk = 0.0034483 k( 130) = ( 0.5000000 0.5124291 0.1124060), wk = 0.0034483 k( 131) = ( 0.5000000 0.5099433 0.0899248), wk = 0.0034483 k( 132) = ( 0.5000000 0.5074574 0.0674436), wk = 0.0034483 k( 133) = ( 0.5000000 0.5049716 0.0449624), wk = 0.0034483 k( 134) = ( 0.5000000 0.5024858 0.0224812), wk = 0.0034483 k( 135) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034483 k( 136) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034483 k( 137) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0034483 k( 138) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0034483 k( 139) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0034483 k( 140) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0034483 k( 141) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0034483 k( 142) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0034483 k( 143) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0034483 k( 144) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0034483 k( 145) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0034483 k( 146) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0034483 k( 147) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0034483 k( 148) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0034483 k( 149) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0034483 k( 150) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0034483 k( 151) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0034483 k( 152) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0034483 k( 153) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0034483 k( 154) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0034483 k( 155) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0034483 k( 156) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0034483 k( 157) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0034483 k( 158) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0034483 k( 159) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0034483 k( 160) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0034483 k( 161) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0034483 k( 162) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0034483 k( 163) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0034483 k( 164) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0034483 k( 165) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0034483 k( 166) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0034483 k( 167) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0034483 k( 168) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0034483 k( 169) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0034483 k( 170) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0034483 k( 171) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0034483 k( 172) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0034483 k( 173) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0034483 k( 174) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0034483 k( 175) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034483 k( 176) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034483 k( 177) = ( 0.0000000 0.5024858 0.0224812), wk = 0.0034483 k( 178) = ( 0.0000000 0.5049716 0.0449624), wk = 0.0034483 k( 179) = ( 0.0000000 0.5074574 0.0674436), wk = 0.0034483 k( 180) = ( 0.0000000 0.5099433 0.0899248), wk = 0.0034483 k( 181) = ( 0.0000000 0.5124291 0.1124060), wk = 0.0034483 k( 182) = ( 0.0000000 0.5149149 0.1348872), wk = 0.0034483 k( 183) = ( 0.0000000 0.5174007 0.1573684), wk = 0.0034483 k( 184) = ( 0.0000000 0.5198865 0.1798496), wk = 0.0034483 k( 185) = ( 0.0000000 0.5223723 0.2023308), wk = 0.0034483 k( 186) = ( 0.0000000 0.5248582 0.2248120), wk = 0.0034483 k( 187) = ( 0.0000000 0.5273440 0.2472932), wk = 0.0034483 k( 188) = ( 0.0000000 0.5298298 0.2697744), wk = 0.0034483 k( 189) = ( 0.0000000 0.5323156 0.2922556), wk = 0.0034483 k( 190) = ( 0.0000000 0.5348014 0.3147368), wk = 0.0034483 k( 191) = ( 0.0000000 0.5372872 0.3372180), wk = 0.0034483 k( 192) = ( 0.5000000 0.4627128 0.6627820), wk = 0.0034483 k( 193) = ( 0.5000000 0.4494924 0.6581311), wk = 0.0034483 k( 194) = ( 0.5000000 0.4362720 0.6534802), wk = 0.0034483 k( 195) = ( 0.5000000 0.4230517 0.6488292), wk = 0.0034483 k( 196) = ( 0.5000000 0.4098313 0.6441783), wk = 0.0034483 k( 197) = ( 0.5000000 0.3966110 0.6395274), wk = 0.0034483 k( 198) = ( 0.5000000 0.3833906 0.6348765), wk = 0.0034483 k( 199) = ( 0.5000000 0.3701702 0.6302256), wk = 0.0034483 k( 200) = ( 0.5000000 0.3569499 0.6255747), wk = 0.0034483 k( 201) = ( 0.5000000 0.3437295 0.6209238), wk = 0.0034483 k( 202) = ( 0.5000000 0.3305091 0.6162728), wk = 0.0034483 k( 203) = ( 0.5000000 0.3172888 0.6116219), wk = 0.0034483 k( 204) = ( 0.5000000 0.3040684 0.6069710), wk = 0.0034483 k( 205) = ( 0.5000000 0.2908480 0.6023201), wk = 0.0034483 k( 206) = ( 0.5000000 0.2776277 0.5976692), wk = 0.0034483 k( 207) = ( 0.5000000 0.2644073 0.5930183), wk = 0.0034483 k( 208) = ( 0.5000000 0.2511869 0.5883674), wk = 0.0034483 k( 209) = ( 0.5000000 0.2379666 0.5837165), wk = 0.0034483 k( 210) = ( 0.5000000 0.2247462 0.5790655), wk = 0.0034483 k( 211) = ( 0.5000000 0.2115258 0.5744146), wk = 0.0034483 k( 212) = ( 0.5000000 0.1983055 0.5697637), wk = 0.0034483 k( 213) = ( 0.5000000 0.1850851 0.5651128), wk = 0.0034483 k( 214) = ( 0.5000000 0.1718647 0.5604619), wk = 0.0034483 k( 215) = ( 0.5000000 0.1586444 0.5558110), wk = 0.0034483 k( 216) = ( 0.5000000 0.1454240 0.5511601), wk = 0.0034483 k( 217) = ( 0.5000000 0.1322037 0.5465091), wk = 0.0034483 k( 218) = ( 0.5000000 0.1189833 0.5418582), wk = 0.0034483 k( 219) = ( 0.5000000 0.1057629 0.5372073), wk = 0.0034483 k( 220) = ( 0.5000000 0.0925426 0.5325564), wk = 0.0034483 k( 221) = ( 0.5000000 0.0793222 0.5279055), wk = 0.0034483 k( 222) = ( 0.5000000 0.0661018 0.5232546), wk = 0.0034483 k( 223) = ( 0.5000000 0.0528815 0.5186037), wk = 0.0034483 k( 224) = ( 0.5000000 0.0396611 0.5139527), wk = 0.0034483 k( 225) = ( 0.5000000 0.0264407 0.5093018), wk = 0.0034483 k( 226) = ( 0.5000000 0.0132204 0.5046509), wk = 0.0034483 k( 227) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 229) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0034483 k( 230) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0034483 k( 231) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0034483 k( 232) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0034483 k( 233) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0034483 k( 234) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0034483 k( 235) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0034483 k( 236) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0034483 k( 237) = ( 0.5000000 0.0000000 0.2954546), wk = 0.0034483 k( 238) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0034483 k( 239) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034483 k( 240) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0034483 k( 241) = ( 0.5000000 0.0000000 0.2045455), wk = 0.0034483 k( 242) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0034483 k( 243) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0034483 k( 244) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0034483 k( 245) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0034483 k( 246) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0034483 k( 247) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0034483 k( 248) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0034483 k( 249) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0034483 k( 250) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 251) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 252) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0034483 k( 253) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0034483 k( 254) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0034483 k( 255) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0034483 k( 256) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0034483 k( 257) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0034483 k( 258) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0034483 k( 259) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0034483 k( 260) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0034483 k( 261) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0034483 k( 262) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0034483 k( 263) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0034483 k( 264) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0034483 k( 265) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0034483 k( 266) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0034483 k( 267) = ( 0.2051282 -0.0000000 0.5000000), wk = 0.0034483 k( 268) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0034483 k( 269) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0034483 k( 270) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0034483 k( 271) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0034483 k( 272) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0034483 k( 273) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0034483 k( 274) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0034483 k( 275) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0034483 k( 276) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0034483 k( 277) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0034483 k( 278) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0034483 k( 279) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0034483 k( 280) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0034483 k( 281) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0034483 k( 282) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0034483 k( 283) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0034483 k( 284) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0034483 k( 285) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0034483 k( 286) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0034483 k( 287) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0034483 k( 288) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0034483 k( 289) = ( 0.4871795 0.0000000 0.5000000), wk = 0.0034483 k( 290) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 Dense grid: 83063 G-vectors FFT dimensions: ( 45, 45, 81) Smooth grid: 36667 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 206, 76) NL pseudopotentials 0.26 Mb ( 103, 168) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1733) G-vector shells 0.01 Mb ( 1662) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 206, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.6 secs Computing kpt #: 2 total cpu time spent up to now is 49.5 secs Computing kpt #: 3 total cpu time spent up to now is 55.6 secs Computing kpt #: 4 total cpu time spent up to now is 61.7 secs Computing kpt #: 5 total cpu time spent up to now is 67.8 secs Computing kpt #: 6 total cpu time spent up to now is 73.5 secs Computing kpt #: 7 total cpu time spent up to now is 79.6 secs Computing kpt #: 8 total cpu time spent up to now is 85.6 secs Computing kpt #: 9 total cpu time spent up to now is 91.8 secs Computing kpt #: 10 total cpu time spent up to now is 97.9 secs Computing kpt #: 11 total cpu time spent up to now is 104.2 secs Computing kpt #: 12 total cpu time spent up to now is 110.6 secs Computing kpt #: 13 total cpu time spent up to now is 117.0 secs Computing kpt #: 14 total cpu time spent up to now is 123.6 secs Computing kpt #: 15 total cpu time spent up to now is 130.2 secs Computing kpt #: 16 total cpu time spent up to now is 137.2 secs Computing kpt #: 17 total cpu time spent up to now is 144.2 secs Computing kpt #: 18 total cpu time spent up to now is 151.3 secs Computing kpt #: 19 total cpu time spent up to now is 158.4 secs Computing kpt #: 20 total cpu time spent up to now is 165.7 secs Computing kpt #: 21 total cpu time spent up to now is 172.7 secs Computing kpt #: 22 total cpu time spent up to now is 180.0 secs Computing kpt #: 23 total cpu time spent up to now is 187.4 secs Computing kpt #: 24 total cpu time spent up to now is 192.8 secs Computing kpt #: 25 total cpu time spent up to now is 198.8 secs Computing kpt #: 26 total cpu time spent up to now is 205.9 secs Computing kpt #: 27 total cpu time spent up to now is 211.4 secs Computing kpt #: 28 total cpu time spent up to now is 216.9 secs Computing kpt #: 29 total cpu time spent up to now is 222.7 secs Computing kpt #: 30 total cpu time spent up to now is 228.2 secs Computing kpt #: 31 total cpu time spent up to now is 233.3 secs Computing kpt #: 32 total cpu time spent up to now is 238.6 secs Computing kpt #: 33 total cpu time spent up to now is 243.9 secs Computing kpt #: 34 total cpu time spent up to now is 249.4 secs Computing kpt #: 35 total cpu time spent up to now is 254.9 secs Computing kpt #: 36 total cpu time spent up to now is 260.3 secs Computing kpt #: 37 total cpu time spent up to now is 265.6 secs Computing kpt #: 38 total cpu time spent up to now is 271.0 secs Computing kpt #: 39 total cpu time spent up to now is 276.5 secs Computing kpt #: 40 total cpu time spent up to now is 281.9 secs Computing kpt #: 41 total cpu time spent up to now is 287.3 secs Computing kpt #: 42 total cpu time spent up to now is 292.7 secs Computing kpt #: 43 total cpu time spent up to now is 298.4 secs Computing kpt #: 44 total cpu time spent up to now is 304.5 secs Computing kpt #: 45 total cpu time spent up to now is 310.1 secs Computing kpt #: 46 total cpu time spent up to now is 316.1 secs Computing kpt #: 47 total cpu time spent up to now is 321.5 secs Computing kpt #: 48 total cpu time spent up to now is 328.7 secs Computing kpt #: 49 total cpu time spent up to now is 337.2 secs Computing kpt #: 50 total cpu time spent up to now is 346.0 secs Computing kpt #: 51 total cpu time spent up to now is 354.2 secs Computing kpt #: 52 total cpu time spent up to now is 362.3 secs Computing kpt #: 53 total cpu time spent up to now is 370.4 secs Computing kpt #: 54 total cpu time spent up to now is 378.1 secs Computing kpt #: 55 total cpu time spent up to now is 385.2 secs Computing kpt #: 56 total cpu time spent up to now is 392.2 secs Computing kpt #: 57 total cpu time spent up to now is 399.0 secs Computing kpt #: 58 total cpu time spent up to now is 406.0 secs Computing kpt #: 59 total cpu time spent up to now is 412.9 secs Computing kpt #: 60 total cpu time spent up to now is 420.3 secs Computing kpt #: 61 total cpu time spent up to now is 427.1 secs Computing kpt #: 62 total cpu time spent up to now is 433.6 secs Computing kpt #: 63 total cpu time spent up to now is 440.3 secs Computing kpt #: 64 total cpu time spent up to now is 446.7 secs Computing kpt #: 65 total cpu time spent up to now is 453.1 secs Computing kpt #: 66 total cpu time spent up to now is 459.7 secs Computing kpt #: 67 total cpu time spent up to now is 466.1 secs Computing kpt #: 68 total cpu time spent up to now is 472.5 secs Computing kpt #: 69 total cpu time spent up to now is 478.8 secs Computing kpt #: 70 total cpu time spent up to now is 485.0 secs Computing kpt #: 71 total cpu time spent up to now is 491.4 secs Computing kpt #: 72 total cpu time spent up to now is 497.6 secs Computing kpt #: 73 total cpu time spent up to now is 504.0 secs Computing kpt #: 74 total cpu time spent up to now is 510.3 secs Computing kpt #: 75 total cpu time spent up to now is 516.9 secs Computing kpt #: 76 total cpu time spent up to now is 523.3 secs Computing kpt #: 77 total cpu time spent up to now is 529.7 secs Computing kpt #: 78 total cpu time spent up to now is 536.3 secs Computing kpt #: 79 total cpu time spent up to now is 543.0 secs Computing kpt #: 80 total cpu time spent up to now is 549.5 secs Computing kpt #: 81 total cpu time spent up to now is 555.7 secs Computing kpt #: 82 total cpu time spent up to now is 561.8 secs Computing kpt #: 83 total cpu time spent up to now is 568.0 secs Computing kpt #: 84 total cpu time spent up to now is 574.0 secs Computing kpt #: 85 total cpu time spent up to now is 580.0 secs Computing kpt #: 86 total cpu time spent up to now is 585.7 secs Computing kpt #: 87 total cpu time spent up to now is 591.4 secs Computing kpt #: 88 total cpu time spent up to now is 596.7 secs Computing kpt #: 89 total cpu time spent up to now is 601.8 secs Computing kpt #: 90 total cpu time spent up to now is 607.1 secs Computing kpt #: 91 total cpu time spent up to now is 612.1 secs Computing kpt #: 92 total cpu time spent up to now is 616.8 secs Computing kpt #: 93 total cpu time spent up to now is 622.1 secs Computing kpt #: 94 total cpu time spent up to now is 627.2 secs Computing kpt #: 95 total cpu time spent up to now is 632.3 secs Computing kpt #: 96 total cpu time spent up to now is 637.5 secs Computing kpt #: 97 total cpu time spent up to now is 642.7 secs Computing kpt #: 98 total cpu time spent up to now is 647.9 secs Computing kpt #: 99 total cpu time spent up to now is 653.2 secs Computing kpt #: 100 total cpu time spent up to now is 658.3 secs Computing kpt #: 101 total cpu time spent up to now is 663.2 secs Computing kpt #: 102 total cpu time spent up to now is 668.2 secs Computing kpt #: 103 total cpu time spent up to now is 673.3 secs Computing kpt #: 104 total cpu time spent up to now is 678.2 secs Computing kpt #: 105 total cpu time spent up to now is 683.2 secs Computing kpt #: 106 total cpu time spent up to now is 688.0 secs Computing kpt #: 107 total cpu time spent up to now is 692.9 secs Computing kpt #: 108 total cpu time spent up to now is 697.6 secs Computing kpt #: 109 total cpu time spent up to now is 702.4 secs Computing kpt #: 110 total cpu time spent up to now is 707.0 secs Computing kpt #: 111 total cpu time spent up to now is 711.8 secs Computing kpt #: 112 total cpu time spent up to now is 716.6 secs Computing kpt #: 113 total cpu time spent up to now is 721.3 secs Computing kpt #: 114 total cpu time spent up to now is 725.9 secs Computing kpt #: 115 total cpu time spent up to now is 730.6 secs Computing kpt #: 116 total cpu time spent up to now is 735.1 secs Computing kpt #: 117 total cpu time spent up to now is 739.9 secs Computing kpt #: 118 total cpu time spent up to now is 744.5 secs Computing kpt #: 119 total cpu time spent up to now is 749.3 secs Computing kpt #: 120 total cpu time spent up to now is 754.4 secs Computing kpt #: 121 total cpu time spent up to now is 759.0 secs Computing kpt #: 122 total cpu time spent up to now is 763.9 secs Computing kpt #: 123 total cpu time spent up to now is 768.8 secs Computing kpt #: 124 total cpu time spent up to now is 773.7 secs Computing kpt #: 125 total cpu time spent up to now is 778.7 secs Computing kpt #: 126 total cpu time spent up to now is 783.7 secs Computing kpt #: 127 total cpu time spent up to now is 788.6 secs Computing kpt #: 128 total cpu time spent up to now is 793.4 secs Computing kpt #: 129 total cpu time spent up to now is 798.5 secs Computing kpt #: 130 total cpu time spent up to now is 803.5 secs Computing kpt #: 131 total cpu time spent up to now is 808.4 secs Computing kpt #: 132 total cpu time spent up to now is 813.4 secs Computing kpt #: 133 total cpu time spent up to now is 818.3 secs Computing kpt #: 134 total cpu time spent up to now is 823.3 secs Computing kpt #: 135 total cpu time spent up to now is 828.1 secs Computing kpt #: 136 total cpu time spent up to now is 832.8 secs Computing kpt #: 137 total cpu time spent up to now is 837.7 secs Computing kpt #: 138 total cpu time spent up to now is 842.6 secs Computing kpt #: 139 total cpu time spent up to now is 847.7 secs Computing kpt #: 140 total cpu time spent up to now is 852.5 secs Computing kpt #: 141 total cpu time spent up to now is 857.6 secs Computing kpt #: 142 total cpu time spent up to now is 862.8 secs Computing kpt #: 143 total cpu time spent up to now is 868.0 secs Computing kpt #: 144 total cpu time spent up to now is 873.1 secs Computing kpt #: 145 total cpu time spent up to now is 878.3 secs Computing kpt #: 146 total cpu time spent up to now is 883.5 secs Computing kpt #: 147 total cpu time spent up to now is 888.8 secs Computing kpt #: 148 total cpu time spent up to now is 894.0 secs Computing kpt #: 149 total cpu time spent up to now is 899.3 secs Computing kpt #: 150 total cpu time spent up to now is 904.7 secs Computing kpt #: 151 total cpu time spent up to now is 910.2 secs Computing kpt #: 152 total cpu time spent up to now is 915.5 secs Computing kpt #: 153 total cpu time spent up to now is 920.6 secs Computing kpt #: 154 total cpu time spent up to now is 925.9 secs Computing kpt #: 155 total cpu time spent up to now is 931.3 secs Computing kpt #: 156 total cpu time spent up to now is 936.6 secs Computing kpt #: 157 total cpu time spent up to now is 941.8 secs Computing kpt #: 158 total cpu time spent up to now is 947.0 secs Computing kpt #: 159 total cpu time spent up to now is 952.4 secs Computing kpt #: 160 total cpu time spent up to now is 957.5 secs Computing kpt #: 161 total cpu time spent up to now is 962.6 secs Computing kpt #: 162 total cpu time spent up to now is 967.8 secs Computing kpt #: 163 total cpu time spent up to now is 973.0 secs Computing kpt #: 164 total cpu time spent up to now is 978.4 secs Computing kpt #: 165 total cpu time spent up to now is 983.6 secs Computing kpt #: 166 total cpu time spent up to now is 989.0 secs Computing kpt #: 167 total cpu time spent up to now is 994.7 secs Computing kpt #: 168 total cpu time spent up to now is 1000.5 secs Computing kpt #: 169 total cpu time spent up to now is 1006.4 secs Computing kpt #: 170 total cpu time spent up to now is 1012.5 secs Computing kpt #: 171 total cpu time spent up to now is 1018.7 secs Computing kpt #: 172 total cpu time spent up to now is 1025.2 secs Computing kpt #: 173 total cpu time spent up to now is 1032.8 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1042.0 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1050.7 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1059.5 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1068.6 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.0 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1087.2 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1096.3 secs Computing kpt #: 181 total cpu time spent up to now is 1105.5 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1114.9 secs Computing kpt #: 183 total cpu time spent up to now is 1123.2 secs Computing kpt #: 184 total cpu time spent up to now is 1131.0 secs Computing kpt #: 185 total cpu time spent up to now is 1137.9 secs Computing kpt #: 186 total cpu time spent up to now is 1146.2 secs Computing kpt #: 187 total cpu time spent up to now is 1153.5 secs Computing kpt #: 188 total cpu time spent up to now is 1160.9 secs Computing kpt #: 189 total cpu time spent up to now is 1167.9 secs Computing kpt #: 190 total cpu time spent up to now is 1175.0 secs Computing kpt #: 191 total cpu time spent up to now is 1182.1 secs Computing kpt #: 192 total cpu time spent up to now is 1187.0 secs Computing kpt #: 193 total cpu time spent up to now is 1191.8 secs Computing kpt #: 194 total cpu time spent up to now is 1196.8 secs Computing kpt #: 195 total cpu time spent up to now is 1201.9 secs Computing kpt #: 196 total cpu time spent up to now is 1207.0 secs Computing kpt #: 197 total cpu time spent up to now is 1212.0 secs Computing kpt #: 198 total cpu time spent up to now is 1217.0 secs Computing kpt #: 199 total cpu time spent up to now is 1221.9 secs Computing kpt #: 200 total cpu time spent up to now is 1227.1 secs Computing kpt #: 201 total cpu time spent up to now is 1232.4 secs Computing kpt #: 202 total cpu time spent up to now is 1237.7 secs Computing kpt #: 203 total cpu time spent up to now is 1243.1 secs Computing kpt #: 204 total cpu time spent up to now is 1248.9 secs Computing kpt #: 205 total cpu time spent up to now is 1254.8 secs Computing kpt #: 206 total cpu time spent up to now is 1260.8 secs Computing kpt #: 207 total cpu time spent up to now is 1267.0 secs Computing kpt #: 208 total cpu time spent up to now is 1273.9 secs Computing kpt #: 209 total cpu time spent up to now is 1280.4 secs Computing kpt #: 210 total cpu time spent up to now is 1288.6 secs Computing kpt #: 211 total cpu time spent up to now is 1296.7 secs Computing kpt #: 212 total cpu time spent up to now is 1305.1 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1313.6 secs Computing kpt #: 214 total cpu time spent up to now is 1321.8 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1330.4 secs Computing kpt #: 216 total cpu time spent up to now is 1338.9 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1347.5 secs Computing kpt #: 218 total cpu time spent up to now is 1356.0 secs Computing kpt #: 219 total cpu time spent up to now is 1364.3 secs Computing kpt #: 220 total cpu time spent up to now is 1372.8 secs Computing kpt #: 221 total cpu time spent up to now is 1380.3 secs Computing kpt #: 222 total cpu time spent up to now is 1387.9 secs Computing kpt #: 223 total cpu time spent up to now is 1395.2 secs Computing kpt #: 224 total cpu time spent up to now is 1401.8 secs Computing kpt #: 225 total cpu time spent up to now is 1409.2 secs Computing kpt #: 226 total cpu time spent up to now is 1415.9 secs Computing kpt #: 227 total cpu time spent up to now is 1422.1 secs Computing kpt #: 228 total cpu time spent up to now is 1428.2 secs Computing kpt #: 229 total cpu time spent up to now is 1434.4 secs Computing kpt #: 230 total cpu time spent up to now is 1441.0 secs Computing kpt #: 231 total cpu time spent up to now is 1447.7 secs Computing kpt #: 232 total cpu time spent up to now is 1454.2 secs Computing kpt #: 233 total cpu time spent up to now is 1460.7 secs Computing kpt #: 234 total cpu time spent up to now is 1467.2 secs Computing kpt #: 235 total cpu time spent up to now is 1473.8 secs Computing kpt #: 236 total cpu time spent up to now is 1480.1 secs Computing kpt #: 237 total cpu time spent up to now is 1486.9 secs Computing kpt #: 238 total cpu time spent up to now is 1493.6 secs Computing kpt #: 239 total cpu time spent up to now is 1500.3 secs Computing kpt #: 240 total cpu time spent up to now is 1506.8 secs Computing kpt #: 241 total cpu time spent up to now is 1513.2 secs Computing kpt #: 242 total cpu time spent up to now is 1519.3 secs Computing kpt #: 243 total cpu time spent up to now is 1525.5 secs Computing kpt #: 244 total cpu time spent up to now is 1531.6 secs Computing kpt #: 245 total cpu time spent up to now is 1537.5 secs Computing kpt #: 246 total cpu time spent up to now is 1543.4 secs Computing kpt #: 247 total cpu time spent up to now is 1549.0 secs Computing kpt #: 248 total cpu time spent up to now is 1555.0 secs Computing kpt #: 249 total cpu time spent up to now is 1560.5 secs Computing kpt #: 250 total cpu time spent up to now is 1565.9 secs Computing kpt #: 251 total cpu time spent up to now is 1572.5 secs Computing kpt #: 252 total cpu time spent up to now is 1579.3 secs Computing kpt #: 253 total cpu time spent up to now is 1584.7 secs Computing kpt #: 254 total cpu time spent up to now is 1591.9 secs Computing kpt #: 255 total cpu time spent up to now is 1598.3 secs Computing kpt #: 256 total cpu time spent up to now is 1604.4 secs Computing kpt #: 257 total cpu time spent up to now is 1609.8 secs Computing kpt #: 258 total cpu time spent up to now is 1615.8 secs Computing kpt #: 259 total cpu time spent up to now is 1621.4 secs Computing kpt #: 260 total cpu time spent up to now is 1626.7 secs Computing kpt #: 261 total cpu time spent up to now is 1632.8 secs Computing kpt #: 262 total cpu time spent up to now is 1638.4 secs Computing kpt #: 263 total cpu time spent up to now is 1645.6 secs Computing kpt #: 264 total cpu time spent up to now is 1651.4 secs Computing kpt #: 265 total cpu time spent up to now is 1658.5 secs Computing kpt #: 266 total cpu time spent up to now is 1664.9 secs Computing kpt #: 267 total cpu time spent up to now is 1671.7 secs Computing kpt #: 268 total cpu time spent up to now is 1678.9 secs Computing kpt #: 269 total cpu time spent up to now is 1686.1 secs Computing kpt #: 270 total cpu time spent up to now is 1693.5 secs Computing kpt #: 271 total cpu time spent up to now is 1700.8 secs Computing kpt #: 272 total cpu time spent up to now is 1708.2 secs Computing kpt #: 273 total cpu time spent up to now is 1715.4 secs Computing kpt #: 274 total cpu time spent up to now is 1722.6 secs Computing kpt #: 275 total cpu time spent up to now is 1729.9 secs Computing kpt #: 276 total cpu time spent up to now is 1737.1 secs Computing kpt #: 277 total cpu time spent up to now is 1743.7 secs Computing kpt #: 278 total cpu time spent up to now is 1750.1 secs Computing kpt #: 279 total cpu time spent up to now is 1756.8 secs Computing kpt #: 280 total cpu time spent up to now is 1763.3 secs Computing kpt #: 281 total cpu time spent up to now is 1769.9 secs Computing kpt #: 282 total cpu time spent up to now is 1776.3 secs Computing kpt #: 283 total cpu time spent up to now is 1782.6 secs Computing kpt #: 284 total cpu time spent up to now is 1788.9 secs Computing kpt #: 285 total cpu time spent up to now is 1795.3 secs Computing kpt #: 286 total cpu time spent up to now is 1801.4 secs Computing kpt #: 287 total cpu time spent up to now is 1807.7 secs Computing kpt #: 288 total cpu time spent up to now is 1814.1 secs Computing kpt #: 289 total cpu time spent up to now is 1820.7 secs Computing kpt #: 290 total cpu time spent up to now is 1826.7 secs ethr = 1.56E-11, avg # of iterations = 69.5 total cpu time spent up to now is 1826.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4593 PWs) bands (ev): -15.1397 -15.1397 -14.3839 -14.3839 -13.2099 -13.2099 -12.4686 -12.4686 -12.3052 -12.3052 -12.2378 -12.2378 -11.6640 -11.6640 -11.6594 -11.6594 -3.6177 -3.6177 -3.2193 -3.2193 -1.2412 -1.2412 -1.1386 -1.1386 -0.9228 -0.9228 -0.5034 -0.5034 0.3820 0.3820 0.7100 0.7100 1.2780 1.2780 1.3079 1.3079 1.8203 1.8203 2.3176 2.3176 2.8370 2.8370 2.9762 2.9762 3.1518 3.1518 3.1684 3.1684 3.6240 3.6240 3.6497 3.6497 4.3383 4.3383 4.5099 4.5099 4.5368 4.5368 5.0971 5.0971 5.2898 5.2898 5.7796 5.7796 7.7431 7.7431 9.6450 9.6450 13.2256 13.2256 13.9164 13.9164 13.9571 13.9571 14.7087 14.7087 k = 0.0000 0.0000 0.0129 ( 4589 PWs) bands (ev): -15.1391 -15.1391 -14.3854 -14.3854 -13.2083 -13.2082 -12.4686 -12.4686 -12.3053 -12.3052 -12.2383 -12.2382 -11.6690 -11.6681 -11.6556 -11.6547 -3.6174 -3.6174 -3.2194 -3.2193 -1.2418 -1.2417 -1.1396 -1.1393 -0.9219 -0.9218 -0.5045 -0.5044 0.3813 0.3818 0.7092 0.7096 1.2736 1.2754 1.3121 1.3137 1.8228 1.8228 2.3189 2.3191 2.8363 2.8368 2.9762 2.9764 3.1474 3.1493 3.1713 3.1737 3.6224 3.6235 3.6487 3.6488 4.3371 4.3375 4.5048 4.5082 4.5379 4.5414 5.0940 5.0966 5.2901 5.2922 5.7788 5.7791 7.7454 7.7456 9.6420 9.6423 13.2270 13.2271 13.9141 13.9150 13.9593 13.9603 14.7091 14.7095 k = 0.0000 0.0000 0.0258 ( 4589 PWs) bands (ev): -15.1374 -15.1373 -14.3900 -14.3899 -13.2034 -13.2032 -12.4685 -12.4685 -12.3055 -12.3053 -12.2397 -12.2394 -11.6754 -11.6745 -11.6500 -11.6490 -3.6166 -3.6165 -3.2197 -3.2195 -1.2436 -1.2434 -1.1420 -1.1415 -0.9192 -0.9189 -0.5075 -0.5073 0.3798 0.3808 0.7073 0.7080 1.2666 1.2690 1.3231 1.3252 1.8302 1.8302 2.3228 2.3234 2.8348 2.8357 2.9766 2.9770 3.1408 3.1429 3.1795 3.1826 3.6187 3.6209 3.6457 3.6460 4.3339 4.3347 4.4960 4.5009 4.5438 4.5487 5.0875 5.0926 5.2930 5.2969 5.7769 5.7774 7.7526 7.7529 9.6333 9.6339 13.2313 13.2317 13.9092 13.9105 13.9662 13.9678 14.7109 14.7116 k = 0.0000 0.0000 0.0387 ( 4592 PWs) bands (ev): -15.1345 -15.1344 -14.3975 -14.3974 -13.1953 -13.1950 -12.4684 -12.4684 -12.3057 -12.3055 -12.2419 -12.2415 -11.6821 -11.6812 -11.6445 -11.6436 -3.6152 -3.6151 -3.2201 -3.2199 -1.2465 -1.2462 -1.1459 -1.1451 -0.9148 -0.9144 -0.5125 -0.5121 0.3776 0.3790 0.7041 0.7052 1.2601 1.2628 1.3370 1.3391 1.8425 1.8425 2.3294 2.3302 2.8325 2.8338 2.9772 2.9778 3.1341 3.1359 3.1897 3.1930 3.6129 3.6160 3.6411 3.6414 4.3286 4.3298 4.4850 4.4906 4.5515 4.5569 5.0782 5.0853 5.2983 5.3037 5.7738 5.7746 7.7645 7.7650 9.6191 9.6199 13.2386 13.2391 13.9029 13.9043 13.9765 13.9784 14.7138 14.7149 k = 0.0000 0.0000 0.0516 ( 4592 PWs) bands (ev): -15.1304 -15.1304 -14.4078 -14.4076 -13.1843 -13.1839 -12.4683 -12.4682 -12.3060 -12.3058 -12.2450 -12.2445 -11.6890 -11.6881 -11.6393 -11.6384 -3.6133 -3.6131 -3.2207 -3.2205 -1.2504 -1.2500 -1.1510 -1.1500 -0.9090 -0.9085 -0.5191 -0.5187 0.3746 0.3765 0.6998 0.7012 1.2551 1.2580 1.3523 1.3544 1.8592 1.8593 2.3386 2.3396 2.8294 2.8312 2.9781 2.9788 3.1275 3.1290 3.2012 3.2046 3.6050 3.6089 3.6351 3.6354 4.3209 4.3225 4.4723 4.4784 4.5600 4.5657 5.0667 5.0754 5.3056 5.3121 5.7695 5.7706 7.7810 7.7818 9.5994 9.6004 13.2486 13.2493 13.8957 13.8972 13.9894 13.9914 14.7179 14.7194 k = 0.0000 0.0000 0.0645 ( 4599 PWs) bands (ev): -15.1253 -15.1253 -14.4206 -14.4204 -13.1705 -13.1701 -12.4681 -12.4680 -12.3064 -12.3061 -12.2490 -12.2484 -11.6960 -11.6952 -11.6345 -11.6335 -3.6109 -3.6107 -3.2215 -3.2212 -1.2553 -1.2548 -1.1570 -1.1558 -0.9019 -0.9014 -0.5273 -0.5268 0.3711 0.3733 0.6944 0.6960 1.2521 1.2550 1.3684 1.3705 1.8802 1.8804 2.3501 2.3513 2.8258 2.8279 2.9792 2.9801 3.1210 3.1225 3.2138 3.2172 3.5951 3.5995 3.6279 3.6286 4.3109 4.3128 4.4576 4.4643 4.5692 4.5749 5.0537 5.0636 5.3145 5.3218 5.7641 5.7655 7.8021 7.8030 9.5744 9.5757 13.2612 13.2621 13.8878 13.8893 14.0045 14.0065 14.7230 14.7248 k = 0.0000 0.0000 0.0774 ( 4595 PWs) bands (ev): -15.1191 -15.1190 -14.4356 -14.4354 -13.1543 -13.1538 -12.4678 -12.4677 -12.3069 -12.3065 -12.2539 -12.2532 -11.7030 -11.7022 -11.6300 -11.6290 -3.6080 -3.6078 -3.2225 -3.2221 -1.2609 -1.2604 -1.1638 -1.1624 -0.8940 -0.8935 -0.5368 -0.5362 0.3670 0.3696 0.6878 0.6897 1.2511 1.2541 1.3850 1.3871 1.9050 1.9052 2.3637 2.3652 2.8217 2.8242 2.9805 2.9815 3.1146 3.1164 3.2275 3.2308 3.5832 3.5879 3.6202 3.6213 4.2984 4.3007 4.4408 4.4480 4.5790 4.5846 5.0399 5.0506 5.3246 5.3324 5.7577 5.7593 7.8276 7.8286 9.5445 9.5460 13.2761 13.2771 13.8793 13.8808 14.0217 14.0236 14.7291 14.7313 k = 0.0000 0.0000 0.0903 ( 4594 PWs) bands (ev): -15.1117 -15.1117 -14.4527 -14.4525 -13.1360 -13.1354 -12.4676 -12.4675 -12.3074 -12.3069 -12.2597 -12.2588 -11.7100 -11.7092 -11.6258 -11.6249 -3.6047 -3.6044 -3.2235 -3.2231 -1.2673 -1.2666 -1.1711 -1.1696 -0.8853 -0.8848 -0.5474 -0.5467 0.3626 0.3654 0.6803 0.6823 1.2522 1.2552 1.4018 1.4039 1.9331 1.9334 2.3792 2.3808 2.8174 2.8201 2.9820 2.9831 3.1084 3.1108 3.2420 3.2452 3.5692 3.5742 3.6123 3.6140 4.2833 4.2859 4.4215 4.4293 4.5894 4.5948 5.0259 5.0370 5.3357 5.3439 5.7502 5.7521 7.8572 7.8584 9.5099 9.5116 13.2931 13.2942 13.8701 13.8716 14.0408 14.0427 14.7360 14.7385 k = 0.0000 0.0000 0.1032 ( 4601 PWs) bands (ev): -15.1034 -15.1033 -14.4714 -14.4712 -13.1159 -13.1153 -12.4673 -12.4672 -12.3080 -12.3075 -12.2663 -12.2653 -11.7168 -11.7161 -11.6219 -11.6211 -3.6011 -3.6007 -3.2248 -3.2243 -1.2742 -1.2735 -1.1787 -1.1771 -0.8763 -0.8758 -0.5587 -0.5579 0.3579 0.3608 0.6718 0.6740 1.2552 1.2582 1.4186 1.4207 1.9639 1.9644 2.3961 2.3979 2.8130 2.8161 2.9836 2.9848 3.1026 3.1058 3.2573 3.2604 3.5535 3.5586 3.6048 3.6070 4.2657 4.2686 4.3997 4.4080 4.6005 4.6056 5.0120 5.0233 5.3477 5.3560 5.7418 5.7440 7.8908 7.8922 9.4709 9.4728 13.3118 13.3131 13.8602 13.8617 14.0616 14.0634 14.7436 14.7465 k = 0.0000 0.0000 0.1161 ( 4591 PWs) bands (ev): -15.0940 -15.0939 -14.4915 -14.4913 -13.0944 -13.0937 -12.4670 -12.4669 -12.3086 -12.3080 -12.2737 -12.2726 -11.7235 -11.7229 -11.6184 -11.6176 -3.5971 -3.5967 -3.2261 -3.2256 -1.2815 -1.2807 -1.1864 -1.1848 -0.8670 -0.8666 -0.5706 -0.5697 0.3530 0.3561 0.6627 0.6650 1.2600 1.2630 1.4352 1.4372 1.9970 1.9977 2.4140 2.4160 2.8088 2.8122 2.9854 2.9866 3.0975 3.1014 3.2731 3.2760 3.5361 3.5414 3.5983 3.6009 4.2455 4.2488 4.3751 4.3839 4.6121 4.6169 4.9987 5.0100 5.3603 5.3687 5.7325 5.7349 7.9282 7.9297 9.4278 9.4299 13.3321 13.3335 13.8496 13.8512 14.0840 14.0857 14.7519 14.7552 k = 0.0000 0.0000 0.1290 ( 4586 PWs) bands (ev): -15.0837 -15.0836 -14.5128 -14.5125 -13.0719 -13.0712 -12.4667 -12.4666 -12.3093 -12.3086 -12.2819 -12.2806 -11.7300 -11.7294 -11.6153 -11.6145 -3.5929 -3.5925 -3.2275 -3.2270 -1.2890 -1.2882 -1.1941 -1.1925 -0.8577 -0.8573 -0.5827 -0.5817 0.3481 0.3513 0.6530 0.6554 1.2663 1.2692 1.4514 1.4534 2.0317 2.0326 2.4322 2.4344 2.8051 2.8087 2.9874 2.9887 3.0931 3.0977 3.2891 3.2919 3.5173 3.5227 3.5932 3.5960 4.2229 4.2264 4.3481 4.3571 4.6241 4.6287 4.9862 4.9972 5.3735 5.3818 5.7223 5.7251 7.9690 7.9708 9.3811 9.3834 13.3535 13.3550 13.8382 13.8400 14.1076 14.1092 14.7607 14.7644 k = 0.0000 0.0000 0.1419 ( 4585 PWs) bands (ev): -15.0724 -15.0724 -14.5348 -14.5345 -13.0487 -13.0479 -12.4664 -12.4663 -12.3100 -12.3092 -12.2907 -12.2893 -11.7361 -11.7356 -11.6124 -11.6117 -3.5885 -3.5881 -3.2291 -3.2285 -1.2967 -1.2959 -1.2017 -1.2001 -0.8486 -0.8482 -0.5948 -0.5938 0.3433 0.3465 0.6431 0.6454 1.2738 1.2766 1.4669 1.4689 2.0676 2.0687 2.4500 2.4523 2.8022 2.8061 2.9897 2.9911 3.0897 3.0951 3.3050 3.3076 3.4974 3.5029 3.5899 3.5929 4.1979 4.2015 4.3189 4.3279 4.6366 4.6408 4.9747 4.9852 5.3871 5.3954 5.7114 5.7144 8.0132 8.0151 9.3310 9.3335 13.3757 13.3774 13.8263 13.8282 14.1322 14.1338 14.7702 14.7741 k = 0.0000 0.0000 0.1548 ( 4588 PWs) bands (ev): -15.0604 -15.0603 -14.5573 -14.5570 -13.0252 -13.0244 -12.4661 -12.4660 -12.3110 -12.3098 -12.3002 -12.2984 -11.7419 -11.7414 -11.6098 -11.6092 -3.5841 -3.5837 -3.2307 -3.2301 -1.3043 -1.3035 -1.2089 -1.2074 -0.8397 -0.8393 -0.6066 -0.6056 0.3387 0.3418 0.6330 0.6354 1.2823 1.2850 1.4817 1.4836 2.1039 2.1053 2.4664 2.4690 2.8004 2.8046 2.9927 2.9940 3.0876 3.0935 3.3204 3.3227 3.4765 3.4822 3.5891 3.5921 4.1704 4.1741 4.2881 4.2970 4.6492 4.6531 4.9642 4.9741 5.4012 5.4094 5.6997 5.7031 8.0604 8.0624 9.2780 9.2805 13.3985 13.4003 13.8136 13.8157 14.1575 14.1589 14.7802 14.7844 k = 0.0000 0.0000 0.1677 ( 4589 PWs) bands (ev): -15.0478 -15.0476 -14.5800 -14.5798 -13.0018 -13.0011 -12.4659 -12.4658 -12.3134 -12.3111 -12.3095 -12.3066 -11.7473 -11.7469 -11.6076 -11.6070 -3.5797 -3.5793 -3.2323 -3.2318 -1.3117 -1.3109 -1.2158 -1.2143 -0.8312 -0.8308 -0.6180 -0.6170 0.3343 0.3373 0.6232 0.6255 1.2913 1.2939 1.4956 1.4974 2.1403 2.1419 2.4804 2.4833 2.8000 2.8044 2.9966 2.9979 3.0869 3.0932 3.3348 3.3368 3.4551 3.4609 3.5912 3.5940 4.1403 4.1440 4.2568 4.2652 4.6618 4.6654 4.9548 4.9639 5.4156 5.4236 5.6875 5.6911 8.1104 8.1126 9.2224 9.2250 13.4217 13.4235 13.8004 13.8026 14.1830 14.1843 14.7908 14.7953 k = 0.0000 0.0000 0.1806 ( 4579 PWs) bands (ev): -15.0345 -15.0344 -14.6026 -14.6024 -12.9789 -12.9782 -12.4656 -12.4656 -12.3208 -12.3203 -12.3109 -12.3101 -11.7522 -11.7519 -11.6056 -11.6050 -3.5753 -3.5749 -3.2339 -3.2334 -1.3188 -1.3181 -1.2221 -1.2207 -0.8232 -0.8228 -0.6288 -0.6277 0.3302 0.3331 0.6137 0.6159 1.3006 1.3030 1.5083 1.5101 2.1762 2.1780 2.4912 2.4944 2.8010 2.8056 3.0018 3.0029 3.0879 3.0943 3.3473 3.3489 3.4339 3.4397 3.5965 3.5991 4.1078 4.1112 4.2259 4.2336 4.6742 4.6775 4.9462 4.9546 5.4304 5.4382 5.6747 5.6785 8.1629 8.1652 9.1645 9.1673 13.4448 13.4467 13.7867 13.7889 14.2082 14.2094 14.8021 14.8068 k = 0.0000 0.0000 0.1935 ( 4582 PWs) bands (ev): -15.0209 -15.0208 -14.6248 -14.6246 -12.9570 -12.9563 -12.4655 -12.4654 -12.3308 -12.3302 -12.3115 -12.3112 -11.7567 -11.7563 -11.6039 -11.6034 -3.5712 -3.5708 -3.2355 -3.2350 -1.3254 -1.3248 -1.2279 -1.2266 -0.8158 -0.8154 -0.6388 -0.6377 0.3266 0.3292 0.6048 0.6068 1.3098 1.3120 1.5199 1.5215 2.2111 2.2133 2.4981 2.5015 2.8034 2.8079 3.0085 3.0095 3.0909 3.0972 3.3563 3.3574 3.4146 3.4202 3.6052 3.6075 4.0728 4.0758 4.1964 4.2033 4.6863 4.6893 4.9386 4.9460 5.4454 5.4529 5.6613 5.6655 8.2177 8.2201 9.1048 9.1076 13.4677 13.4696 13.7726 13.7748 14.2326 14.2336 14.8140 14.8190 k = 0.0000 0.0000 0.2064 ( 4584 PWs) bands (ev): -15.0073 -15.0071 -14.6462 -14.6460 -12.9365 -12.9358 -12.4654 -12.4653 -12.3407 -12.3400 -12.3120 -12.3118 -11.7606 -11.7603 -11.6024 -11.6020 -3.5674 -3.5670 -3.2370 -3.2365 -1.3314 -1.3309 -1.2329 -1.2318 -0.8091 -0.8087 -0.6478 -0.6468 0.3234 0.3258 0.5966 0.5985 1.3186 1.3206 1.5302 1.5316 2.2448 2.2472 2.5005 2.5042 2.8067 2.8110 3.0164 3.0174 3.0963 3.1022 3.3565 3.3581 3.4022 3.4066 3.6171 3.6194 4.0358 4.0385 4.1692 4.1751 4.6976 4.7003 4.9317 4.9382 5.4605 5.4679 5.6476 5.6520 8.2744 8.2769 9.0436 9.0465 13.4900 13.4920 13.7581 13.7603 14.2556 14.2565 14.8267 14.8318 k = 0.0000 0.0000 0.2193 ( 4580 PWs) bands (ev): -14.9938 -14.9937 -14.6663 -14.6661 -12.9179 -12.9173 -12.4654 -12.4653 -12.3501 -12.3494 -12.3125 -12.3123 -11.7639 -11.7637 -11.6012 -11.6008 -3.5639 -3.5636 -3.2384 -3.2380 -1.3368 -1.3363 -1.2373 -1.2363 -0.8032 -0.8028 -0.6557 -0.6548 0.3207 0.3228 0.5895 0.5911 1.3267 1.3284 1.5390 1.5403 2.2768 2.2794 2.4987 2.5026 2.8103 2.8142 3.0250 3.0262 3.1049 3.1101 3.3431 3.3465 3.4011 3.4041 3.6322 3.6343 3.9978 4.0001 4.1450 4.1498 4.7081 4.7105 4.9257 4.9312 5.4758 5.4829 5.6336 5.6382 8.3328 8.3354 8.9813 8.9842 13.5115 13.5135 13.7434 13.7456 14.2765 14.2773 14.8401 14.8452 k = 0.0000 0.0000 0.2322 ( 4580 PWs) bands (ev): -14.9811 -14.9810 -14.6845 -14.6843 -12.9016 -12.9011 -12.4654 -12.4653 -12.3585 -12.3579 -12.3129 -12.3127 -11.7667 -11.7665 -11.6002 -11.5999 -3.5610 -3.5607 -3.2395 -3.2392 -1.3413 -1.3409 -1.2409 -1.2401 -0.7982 -0.7978 -0.6624 -0.6616 0.3185 0.3202 0.5834 0.5848 1.3338 1.3352 1.5464 1.5474 2.3067 2.3095 2.4931 2.4970 2.8137 2.8170 3.0333 3.0345 3.1170 3.1214 3.3225 3.3266 3.4059 3.4081 3.6497 3.6517 3.9599 3.9619 4.1242 4.1280 4.7174 4.7194 4.9205 4.9251 5.4911 5.4979 5.6193 5.6241 8.3925 8.3951 8.9183 8.9212 13.5317 13.5337 13.7290 13.7311 14.2949 14.2955 14.8540 14.8590 k = 0.0000 0.0000 0.2451 ( 4581 PWs) bands (ev): -14.9699 -14.9698 -14.7002 -14.7000 -12.8883 -12.8878 -12.4655 -12.4654 -12.3655 -12.3650 -12.3131 -12.3130 -11.7688 -11.7687 -11.5995 -11.5992 -3.5586 -3.5584 -3.2405 -3.2402 -1.3449 -1.3446 -1.2437 -1.2431 -0.7941 -0.7938 -0.6678 -0.6671 0.3169 0.3182 0.5786 0.5797 1.3396 1.3407 1.5522 1.5530 2.3341 2.3369 2.4844 2.4881 2.8166 2.8191 3.0402 3.0413 3.1327 3.1362 3.3000 3.3041 3.4116 3.4133 3.6688 3.6708 3.9239 3.9256 4.1074 4.1102 4.7252 4.7267 4.9164 4.9199 5.5062 5.5127 5.6050 5.6100 8.4528 8.4555 8.8554 8.8583 13.5501 13.5519 13.7153 13.7172 14.3099 14.3104 14.8679 14.8724 k = 0.0000 0.0000 0.2580 ( 4580 PWs) bands (ev): -14.9608 -14.9607 -14.7124 -14.7123 -12.8783 -12.8780 -12.4656 -12.4655 -12.3709 -12.3705 -12.3134 -12.3133 -11.7703 -11.7703 -11.5989 -11.5988 -3.5568 -3.5566 -3.2412 -3.2410 -1.3475 -1.3473 -1.2457 -1.2453 -0.7911 -0.7909 -0.6717 -0.6712 0.3158 0.3167 0.5752 0.5759 1.3440 1.3447 1.5564 1.5570 2.3578 2.3605 2.4740 2.4772 2.8187 2.8205 3.0451 3.0460 3.1505 3.1534 3.2780 3.2816 3.4165 3.4177 3.6879 3.6896 3.8923 3.8937 4.0950 4.0969 4.7311 4.7322 4.9134 4.9157 5.5210 5.5268 5.5912 5.5960 8.5127 8.5153 8.7937 8.7965 13.5657 13.5672 13.7033 13.7049 14.3211 14.3214 14.8806 14.8843 k = 0.0000 0.0000 0.2709 ( 4572 PWs) bands (ev): -14.9548 -14.9548 -14.7203 -14.7202 -12.8721 -12.8719 -12.4656 -12.4656 -12.3741 -12.3740 -12.3135 -12.3134 -11.7713 -11.7712 -11.5986 -11.5985 -3.5557 -3.5556 -3.2416 -3.2415 -1.3490 -1.3489 -1.2469 -1.2467 -0.7893 -0.7891 -0.6740 -0.6737 0.3152 0.3157 0.5732 0.5735 1.3468 1.3471 1.5590 1.5593 2.3759 2.3777 2.4646 2.4667 2.8202 2.8210 3.0481 3.0486 3.1672 3.1692 3.2598 3.2623 3.4199 3.4205 3.7036 3.7047 3.8692 3.8701 4.0876 4.0885 4.7349 4.7355 4.9118 4.9130 5.5344 5.5388 5.5792 5.5832 8.5684 8.5706 8.7373 8.7396 13.5768 13.5777 13.6949 13.6958 14.3280 14.3282 14.8904 14.8925 k = 0.0000 0.0000 0.2838 ( 4570 PWs) bands (ev): -14.9527 -14.9527 -14.7230 -14.7230 -12.8699 -12.8699 -12.4657 -12.4657 -12.3752 -12.3752 -12.3135 -12.3135 -11.7716 -11.7716 -11.5984 -11.5984 -3.5553 -3.5553 -3.2417 -3.2417 -1.3495 -1.3495 -1.2472 -1.2472 -0.7886 -0.7886 -0.6746 -0.6746 0.3152 0.3152 0.5726 0.5726 1.3478 1.3478 1.5600 1.5600 2.3838 2.3838 2.4612 2.4612 2.8209 2.8209 3.0493 3.0493 3.1757 3.1757 3.2528 3.2528 3.4213 3.4213 3.7104 3.7104 3.8606 3.8606 4.0854 4.0854 4.7364 4.7364 4.9116 4.9116 5.5428 5.5428 5.5751 5.5751 8.5998 8.5998 8.7078 8.7078 13.5812 13.5812 13.6920 13.6920 14.3305 14.3305 14.8949 14.8949 k = 0.0000 0.0000 0.2838 ( 4570 PWs) bands (ev): -14.9527 -14.9527 -14.7230 -14.7230 -12.8699 -12.8699 -12.4657 -12.4657 -12.3752 -12.3752 -12.3135 -12.3135 -11.7716 -11.7716 -11.5984 -11.5984 -3.5553 -3.5553 -3.2417 -3.2417 -1.3495 -1.3495 -1.2472 -1.2472 -0.7886 -0.7886 -0.6746 -0.6746 0.3152 0.3152 0.5726 0.5726 1.3478 1.3478 1.5600 1.5600 2.3838 2.3838 2.4612 2.4612 2.8209 2.8209 3.0493 3.0493 3.1757 3.1757 3.2528 3.2528 3.4213 3.4213 3.7104 3.7104 3.8606 3.8606 4.0854 4.0854 4.7364 4.7364 4.9116 4.9116 5.5428 5.5428 5.5751 5.5751 8.5998 8.5998 8.7078 8.7078 13.5812 13.5812 13.6920 13.6920 14.3305 14.3305 14.8949 14.8949 k = 0.0000 0.0131 0.2838 ( 4574 PWs) bands (ev): -14.9521 -14.9521 -14.7224 -14.7223 -12.8703 -12.8702 -12.4660 -12.4658 -12.3752 -12.3752 -12.3139 -12.3138 -11.7721 -11.7721 -11.5992 -11.5990 -3.5546 -3.5545 -3.2403 -3.2402 -1.3534 -1.3526 -1.2470 -1.2468 -0.7921 -0.7908 -0.6689 -0.6669 0.3119 0.3129 0.5732 0.5744 1.3471 1.3473 1.5597 1.5598 2.3811 2.3825 2.4611 2.4621 2.8182 2.8188 3.0498 3.0504 3.1748 3.1756 3.2526 3.2528 3.4222 3.4233 3.7102 3.7107 3.8625 3.8631 4.0835 4.0841 4.7356 4.7365 4.9116 4.9127 5.5419 5.5421 5.5761 5.5766 8.6025 8.6027 8.7105 8.7106 13.5807 13.5811 13.6912 13.6920 14.3318 14.3318 14.8883 14.8908 k = 0.0000 0.0262 0.2838 ( 4569 PWs) bands (ev): -14.9503 -14.9502 -14.7204 -14.7204 -12.8713 -12.8712 -12.4669 -12.4665 -12.3753 -12.3752 -12.3149 -12.3147 -11.7738 -11.7737 -11.6012 -11.6009 -3.5524 -3.5522 -3.2359 -3.2357 -1.3638 -1.3622 -1.2465 -1.2461 -0.7992 -0.7972 -0.6512 -0.6478 0.3034 0.3053 0.5762 0.5784 1.3451 1.3455 1.5591 1.5592 2.3747 2.3772 2.4617 2.4634 2.8109 2.8120 3.0517 3.0529 3.1728 3.1743 3.2523 3.2525 3.4257 3.4279 3.7104 3.7114 3.8686 3.8698 4.0784 4.0797 4.7341 4.7361 4.9127 4.9147 5.5395 5.5397 5.5795 5.5804 8.6107 8.6111 8.7186 8.7189 13.5795 13.5804 13.6897 13.6912 14.3359 14.3359 14.8741 14.8783 k = 0.0000 0.0394 0.2838 ( 4577 PWs) bands (ev): -14.9472 -14.9472 -14.7172 -14.7172 -12.8730 -12.8728 -12.4683 -12.4677 -12.3754 -12.3752 -12.3166 -12.3162 -11.7766 -11.7764 -11.6045 -11.6040 -3.5488 -3.5485 -3.2287 -3.2283 -1.3799 -1.3776 -1.2458 -1.2455 -0.8068 -0.8047 -0.6253 -0.6210 0.2903 0.2929 0.5810 0.5841 1.3419 1.3425 1.5580 1.5581 2.3652 2.3686 2.4623 2.4647 2.7997 2.8012 3.0546 3.0564 3.1699 3.1720 3.2517 3.2520 3.4311 3.4342 3.7122 3.7137 3.8783 3.8800 4.0703 4.0722 4.7324 4.7352 4.9146 4.9175 5.5355 5.5358 5.5852 5.5864 8.6245 8.6251 8.7322 8.7326 13.5777 13.5791 13.6872 13.6895 14.3426 14.3427 14.8568 14.8620 k = 0.0000 0.0525 0.2838 ( 4585 PWs) bands (ev): -14.9430 -14.9430 -14.7128 -14.7127 -12.8754 -12.8751 -12.4703 -12.4695 -12.3755 -12.3753 -12.3189 -12.3184 -11.7804 -11.7802 -11.6090 -11.6084 -3.5436 -3.5432 -3.2186 -3.2181 -1.4006 -1.3979 -1.2454 -1.2451 -0.8134 -0.8113 -0.5938 -0.5890 0.2732 0.2764 0.5869 0.5907 1.3376 1.3383 1.5565 1.5567 2.3533 2.3574 2.4624 2.4651 2.7855 2.7873 3.0580 3.0604 3.1663 3.1687 3.2508 3.2513 3.4370 3.4410 3.7168 3.7190 3.8906 3.8927 4.0594 4.0619 4.7306 4.7342 4.9171 4.9209 5.5299 5.5305 5.5931 5.5945 8.6437 8.6445 8.7511 8.7517 13.5754 13.5772 13.6838 13.6867 14.3520 14.3522 14.8394 14.8453 k = 0.0000 0.0656 0.2838 ( 4590 PWs) bands (ev): -14.9376 -14.9376 -14.7070 -14.7070 -12.8784 -12.8781 -12.4731 -12.4720 -12.3756 -12.3752 -12.3219 -12.3212 -11.7852 -11.7849 -11.6148 -11.6140 -3.5371 -3.5366 -3.2057 -3.2051 -1.4252 -1.4221 -1.2455 -1.2453 -0.8182 -0.8164 -0.5584 -0.5533 0.2531 0.2566 0.5934 0.5977 1.3321 1.3331 1.5546 1.5550 2.3396 2.3442 2.4614 2.4643 2.7693 2.7714 3.0613 3.0644 3.1621 3.1646 3.2495 3.2503 3.4421 3.4470 3.7257 3.7285 3.9049 3.9074 4.0460 4.0490 4.7293 4.7334 4.9202 4.9246 5.5227 5.5236 5.6029 5.6044 8.6682 8.6692 8.7753 8.7761 13.5725 13.5748 13.6792 13.6828 14.3639 14.3642 14.8238 14.8299 k = 0.0000 0.0787 0.2838 ( 4588 PWs) bands (ev): -14.9311 -14.9310 -14.7000 -14.7000 -12.8821 -12.8817 -12.4765 -12.4753 -12.3757 -12.3752 -12.3254 -12.3245 -11.7909 -11.7905 -11.6216 -11.6206 -3.5291 -3.5285 -3.1902 -3.1894 -1.4527 -1.4493 -1.2461 -1.2459 -0.8211 -0.8196 -0.5202 -0.5149 0.2304 0.2342 0.5998 0.6045 1.3258 1.3270 1.5525 1.5530 2.3245 2.3295 2.4588 2.4618 2.7519 2.7541 3.0639 3.0679 3.1574 3.1598 3.2481 3.2493 3.4455 3.4511 3.7397 3.7431 3.9204 3.9232 4.0305 4.0341 4.7286 4.7334 4.9234 4.9285 5.5141 5.5153 5.6143 5.6159 8.6980 8.6992 8.8047 8.8056 13.5692 13.5720 13.6733 13.6774 14.3784 14.3787 14.8106 14.8170 k = 0.0000 0.0919 0.2838 ( 4590 PWs) bands (ev): -14.9233 -14.9233 -14.6918 -14.6917 -12.8865 -12.8861 -12.4809 -12.4795 -12.3758 -12.3752 -12.3294 -12.3284 -11.7973 -11.7969 -11.6294 -11.6283 -3.5196 -3.5189 -3.1720 -3.1712 -1.4825 -1.4789 -1.2472 -1.2471 -0.8223 -0.8210 -0.4802 -0.4746 0.2059 0.2098 0.6057 0.6107 1.3186 1.3200 1.5502 1.5508 2.3082 2.3135 2.4544 2.4575 2.7341 2.7363 3.0656 3.0704 3.1521 3.1544 3.2467 3.2483 3.4466 3.4526 3.7587 3.7627 3.9363 3.9393 4.0137 4.0178 4.7291 4.7342 4.9268 4.9325 5.5040 5.5056 5.6272 5.6288 8.7328 8.7342 8.8391 8.8401 13.5653 13.5686 13.6658 13.6705 14.3952 14.3957 14.8006 14.8071 k = 0.0000 0.1050 0.2838 ( 4596 PWs) bands (ev): -14.9145 -14.9145 -14.6823 -14.6822 -12.8917 -12.8912 -12.4862 -12.4846 -12.3762 -12.3753 -12.3337 -12.3325 -11.8045 -11.8039 -11.6381 -11.6369 -3.5088 -3.5080 -3.1514 -3.1504 -1.5139 -1.5101 -1.2489 -1.2487 -0.8221 -0.8210 -0.4388 -0.4331 0.1800 0.1839 0.6108 0.6160 1.3107 1.3123 1.5478 1.5485 2.2911 2.2967 2.4481 2.4512 2.7165 2.7186 3.0659 3.0715 3.1464 3.1486 3.2457 3.2477 3.4455 3.4518 3.7821 3.7865 3.9507 3.9538 3.9977 4.0024 4.7308 4.7363 4.9303 4.9365 5.4924 5.4943 5.6410 5.6428 8.7724 8.7740 8.8782 8.8794 13.5609 13.5647 13.6567 13.6619 14.4143 14.4149 14.7940 14.8005 k = 0.0000 0.1181 0.2838 ( 4600 PWs) bands (ev): -14.9046 -14.9045 -14.6716 -14.6715 -12.8976 -12.8970 -12.4925 -12.4908 -12.3770 -12.3759 -12.3381 -12.3366 -11.8122 -11.8116 -11.6477 -11.6463 -3.4965 -3.4957 -3.1284 -3.1274 -1.5465 -1.5426 -1.2510 -1.2507 -0.8207 -0.8198 -0.3968 -0.3910 0.1531 0.1570 0.6148 0.6201 1.3022 1.3040 1.5453 1.5463 2.2734 2.2792 2.4397 2.4428 2.6995 2.7013 3.0644 3.0708 3.1401 3.1422 3.2453 3.2478 3.4427 3.4491 3.8081 3.8128 3.9573 3.9590 3.9910 3.9952 4.7339 4.7397 4.9340 4.9406 5.4795 5.4817 5.6557 5.6575 8.8167 8.8185 8.9221 8.9234 13.5559 13.5602 13.6459 13.6515 14.4355 14.4362 14.7910 14.7975 k = 0.0000 0.1312 0.2838 ( 4599 PWs) bands (ev): -14.8937 -14.8936 -14.6597 -14.6596 -12.9042 -12.9037 -12.4999 -12.4980 -12.3789 -12.3774 -12.3420 -12.3402 -11.8203 -11.8196 -11.6579 -11.6564 -3.4830 -3.4820 -3.1034 -3.1022 -1.5798 -1.5758 -1.2535 -1.2531 -0.8184 -0.8175 -0.3546 -0.3488 0.1258 0.1296 0.6177 0.6231 1.2933 1.2954 1.5430 1.5441 2.2553 2.2611 2.4295 2.4324 2.6832 2.6848 3.0610 3.0680 3.1332 3.1353 3.2459 3.2488 3.4387 3.4450 3.8337 3.8385 3.9487 3.9510 4.0010 4.0043 4.7385 4.7444 4.9381 4.9450 5.4651 5.4677 5.6708 5.6726 8.8655 8.8674 8.9704 8.9718 13.5502 13.5551 13.6334 13.6392 14.4587 14.4595 14.7917 14.7982 k = 0.0000 0.1443 0.2838 ( 4603 PWs) bands (ev): -14.8817 -14.8816 -14.6466 -14.6465 -12.9117 -12.9111 -12.5085 -12.5064 -12.3823 -12.3805 -12.3447 -12.3428 -11.8287 -11.8280 -11.6687 -11.6671 -3.4681 -3.4671 -3.0763 -3.0750 -1.6136 -1.6095 -1.2564 -1.2559 -0.8156 -0.8145 -0.3129 -0.3069 0.0983 0.1020 0.6192 0.6246 1.2841 1.2864 1.5408 1.5422 2.2369 2.2428 2.4175 2.4203 2.6679 2.6692 3.0556 3.0629 3.1257 3.1277 3.2479 3.2509 3.4340 3.4402 3.8522 3.8570 3.9413 3.9451 4.0170 4.0203 4.7444 4.7504 4.9429 4.9501 5.4495 5.4524 5.6860 5.6879 8.9184 8.9205 9.0229 9.0245 13.5436 13.5492 13.6191 13.6253 14.4836 14.4845 14.7962 14.8026 k = 0.0000 0.1575 0.2838 ( 4607 PWs) bands (ev): -14.8688 -14.8687 -14.6323 -14.6322 -12.9200 -12.9193 -12.5182 -12.5160 -12.3876 -12.3857 -12.3458 -12.3438 -11.8373 -11.8365 -11.6799 -11.6782 -3.4519 -3.4508 -3.0474 -3.0461 -1.6475 -1.6434 -1.2595 -1.2589 -0.8124 -0.8110 -0.2721 -0.2661 0.0712 0.0748 0.6195 0.6248 1.2748 1.2774 1.5390 1.5406 2.2184 2.2243 2.4040 2.4066 2.6534 2.6545 3.0480 3.0555 3.1175 3.1196 3.2511 3.2541 3.4290 3.4351 3.8538 3.8587 3.9495 3.9543 4.0346 4.0380 4.7513 4.7573 4.9489 4.9562 5.4327 5.4359 5.7012 5.7030 8.9752 8.9774 9.0794 9.0811 13.5359 13.5421 13.6034 13.6098 14.5100 14.5111 14.8044 14.8107 k = 0.0000 0.1706 0.2838 ( 4609 PWs) bands (ev): -14.8550 -14.8549 -14.6170 -14.6169 -12.9291 -12.9284 -12.5291 -12.5269 -12.3949 -12.3929 -12.3453 -12.3434 -11.8459 -11.8450 -11.6914 -11.6897 -3.4345 -3.4334 -3.0170 -3.0155 -1.6813 -1.6773 -1.2630 -1.2623 -0.8090 -0.8073 -0.2329 -0.2269 0.0452 0.0485 0.6184 0.6236 1.2656 1.2684 1.5376 1.5395 2.1999 2.2057 2.3894 2.3917 2.6397 2.6407 3.0385 3.0460 3.1087 3.1110 3.2555 3.2584 3.4242 3.4301 3.8407 3.8455 3.9719 3.9768 4.0532 4.0564 4.7589 4.7647 4.9567 4.9641 5.4147 5.4182 5.7160 5.7179 9.0356 9.0380 9.1396 9.1415 13.5266 13.5335 13.5866 13.5932 14.5378 14.5390 14.8161 14.8222 k = 0.0000 0.1837 0.2838 ( 4613 PWs) bands (ev): -14.8404 -14.8403 -14.6005 -14.6004 -12.9391 -12.9384 -12.5413 -12.5390 -12.4038 -12.4018 -12.3435 -12.3417 -11.8545 -11.8535 -11.7031 -11.7013 -3.4159 -3.4147 -2.9852 -2.9837 -1.7149 -1.7109 -1.2667 -1.2659 -0.8056 -0.8037 -0.1965 -0.1904 0.0211 0.0242 0.6159 0.6210 1.2566 1.2597 1.5367 1.5388 2.1815 2.1872 2.3739 2.3760 2.6265 2.6276 3.0273 3.0346 3.0994 3.1018 3.2608 3.2635 3.4197 3.4254 3.8214 3.8263 3.9991 4.0035 4.0727 4.0759 4.7665 4.7718 4.9671 4.9743 5.3956 5.3994 5.7302 5.7321 9.0993 9.1019 9.2033 9.2053 13.5152 13.5228 13.5692 13.5760 14.5666 14.5680 14.8312 14.8371 k = 0.0000 0.1968 0.2838 ( 4611 PWs) bands (ev): -14.8250 -14.8249 -14.5830 -14.5828 -12.9500 -12.9493 -12.5547 -12.5523 -12.4140 -12.4121 -12.3408 -12.3391 -11.8628 -11.8618 -11.7149 -11.7130 -3.3961 -3.3949 -2.9523 -2.9507 -1.7481 -1.7441 -1.2706 -1.2697 -0.8025 -0.8003 -0.1647 -0.1586 0.0010 0.0038 0.6121 0.6170 1.2479 1.2513 1.5364 1.5388 2.1633 2.1688 2.3580 2.3599 2.6138 2.6150 3.0146 3.0215 3.0897 3.0923 3.2665 3.2690 3.4159 3.4213 3.8004 3.8053 4.0259 4.0295 4.0935 4.0969 4.7733 4.7780 4.9808 4.9876 5.3756 5.3796 5.7436 5.7455 9.1661 9.1688 9.2701 9.2724 13.5009 13.5090 13.5521 13.5589 14.5962 14.5977 14.8495 14.8551 k = 0.0000 0.2099 0.2838 ( 4614 PWs) bands (ev): -14.8089 -14.8088 -14.5644 -14.5643 -12.9618 -12.9611 -12.5694 -12.5670 -12.4252 -12.4233 -12.3374 -12.3357 -11.8709 -11.8698 -11.7265 -11.7246 -3.3752 -3.3739 -2.9186 -2.9168 -1.7808 -1.7769 -1.2747 -1.2737 -0.7999 -0.7974 -0.1414 -0.1354 -0.0114 -0.0088 0.6070 0.6117 1.2399 1.2435 1.5368 1.5394 2.1453 2.1507 2.3419 2.3436 2.6014 2.6028 3.0007 3.0072 3.0797 3.0824 3.2721 3.2743 3.4129 3.4181 3.7794 3.7843 4.0499 4.0527 4.1160 4.1201 4.7787 4.7826 4.9983 5.0046 5.3547 5.3590 5.7562 5.7581 9.2354 9.2382 9.3400 9.3423 13.4832 13.4915 13.5358 13.5425 14.6263 14.6280 14.8707 14.8760 k = 0.0000 0.2231 0.2838 ( 4612 PWs) bands (ev): -14.7922 -14.7921 -14.5448 -14.5447 -12.9745 -12.9738 -12.5853 -12.5828 -12.4371 -12.4353 -12.3335 -12.3319 -11.8787 -11.8775 -11.7380 -11.7360 -3.3532 -3.3519 -2.8842 -2.8824 -1.8129 -1.8090 -1.2789 -1.2778 -0.7980 -0.7952 -0.1320 -0.1266 -0.0107 -0.0078 0.6006 0.6051 1.2326 1.2364 1.5379 1.5407 2.1277 2.1329 2.3260 2.3276 2.5893 2.5908 2.9859 2.9919 3.0693 3.0722 3.2769 3.2790 3.4112 3.4162 3.7594 3.7643 4.0699 4.0726 4.1402 4.1453 4.7820 4.7851 5.0197 5.0256 5.3332 5.3377 5.7677 5.7696 9.3069 9.3099 9.4124 9.4150 13.4620 13.4702 13.5204 13.5269 14.6567 14.6585 14.8945 14.8995 k = 0.0000 0.2362 0.2838 ( 4612 PWs) bands (ev): -14.7750 -14.7749 -14.5243 -14.5242 -12.9882 -12.9875 -12.6025 -12.6000 -12.4495 -12.4478 -12.3292 -12.3276 -11.8860 -11.8848 -11.7492 -11.7472 -3.3302 -3.3289 -2.8496 -2.8478 -1.8443 -1.8405 -1.2831 -1.2820 -0.7969 -0.7938 -0.1372 -0.1325 0.0038 0.0071 0.5930 0.5972 1.2262 1.2303 1.5397 1.5427 2.1104 2.1155 2.3106 2.3119 2.5773 2.5790 2.9706 2.9760 3.0588 3.0618 3.2802 3.2823 3.4110 3.4157 3.7409 3.7458 4.0865 4.0896 4.1655 4.1715 4.7831 4.7853 5.0448 5.0501 5.3114 5.3161 5.7782 5.7800 9.3803 9.3833 9.4873 9.4900 13.4380 13.4459 13.5051 13.5116 14.6871 14.6889 14.9204 14.9251 k = 0.0000 0.2493 0.2838 ( 4611 PWs) bands (ev): -14.7574 -14.7573 -14.5029 -14.5028 -13.0028 -13.0021 -12.6208 -12.6183 -12.4622 -12.4605 -12.3246 -12.3230 -11.8929 -11.8916 -11.7600 -11.7581 -3.3063 -3.3049 -2.8150 -2.8131 -1.8749 -1.8712 -1.2874 -1.2862 -0.7968 -0.7935 -0.1506 -0.1465 0.0259 0.0295 0.5842 0.5882 1.2208 1.2251 1.5422 1.5453 2.0935 2.0985 2.2958 2.2970 2.5656 2.5673 2.9549 2.9596 3.0481 3.0511 3.2816 3.2836 3.4127 3.4171 3.7244 3.7292 4.1005 4.1041 4.1913 4.1979 4.7819 4.7834 5.0726 5.0776 5.2899 5.2947 5.7875 5.7892 9.4549 9.4581 9.5643 9.5672 13.4116 13.4192 13.4892 13.4958 14.7172 14.7190 14.9480 14.9523 k = 0.0000 0.2624 0.2838 ( 4609 PWs) bands (ev): -14.7395 -14.7394 -14.4806 -14.4805 -13.0182 -13.0176 -12.6403 -12.6378 -12.4750 -12.4735 -12.3197 -12.3182 -11.8993 -11.8980 -11.7704 -11.7685 -3.2814 -3.2801 -2.7808 -2.7789 -1.9047 -1.9010 -1.2916 -1.2903 -0.7979 -0.7943 -0.1672 -0.1635 0.0505 0.0542 0.5742 0.5779 1.2166 1.2211 1.5454 1.5486 2.0769 2.0819 2.2818 2.2829 2.5542 2.5559 2.9390 2.9431 3.0372 3.0404 3.2808 3.2825 3.4166 3.4205 3.7102 3.7148 4.1126 4.1166 4.2169 4.2239 4.7786 4.7795 5.1014 5.1063 5.2699 5.2746 5.7956 5.7972 9.5304 9.5337 9.6432 9.6464 13.3836 13.3909 13.4721 13.4790 14.7467 14.7485 14.9765 14.9805 k = 0.0000 0.2756 0.2838 ( 4612 PWs) bands (ev): -14.7215 -14.7213 -14.4576 -14.4574 -13.0345 -13.0339 -12.6608 -12.6583 -12.4878 -12.4864 -12.3147 -12.3131 -11.9053 -11.9039 -11.7803 -11.7783 -3.2557 -3.2544 -2.7473 -2.7453 -1.9334 -1.9298 -1.2956 -1.2942 -0.8004 -0.7965 -0.1843 -0.1810 0.0752 0.0788 0.5633 0.5666 1.2136 1.2184 1.5491 1.5524 2.0608 2.0657 2.2687 2.2697 2.5432 2.5448 2.9230 2.9264 3.0263 3.0296 3.2776 3.2790 3.4225 3.4259 3.6984 3.7028 4.1233 4.1276 4.2420 4.2491 4.7732 4.7741 5.1277 5.1329 5.2542 5.2585 5.8026 5.8041 9.6061 9.6094 9.7238 9.7272 13.3543 13.3613 13.4535 13.4607 14.7753 14.7770 15.0051 15.0088 k = 0.0000 0.2887 0.2838 ( 4614 PWs) bands (ev): -14.7034 -14.7033 -14.4338 -14.4337 -13.0516 -13.0510 -12.6823 -12.6799 -12.5004 -12.4990 -12.3095 -12.3080 -11.9107 -11.9093 -11.7896 -11.7877 -3.2292 -3.2279 -2.7149 -2.7129 -1.9610 -1.9576 -1.2994 -1.2979 -0.8042 -0.8001 -0.2009 -0.1979 0.0988 0.1023 0.5513 0.5543 1.2120 1.2169 1.5534 1.5566 2.0449 2.0500 2.2567 2.2577 2.5328 2.5342 2.9069 2.9096 3.0156 3.0190 3.2722 3.2731 3.4300 3.4329 3.6891 3.6933 4.1328 4.1373 4.2662 4.2734 4.7662 4.7672 5.1440 5.1500 5.2499 5.2533 5.8085 5.8099 9.6815 9.6848 9.8058 9.8094 13.3243 13.3310 13.4330 13.4405 14.8028 14.8044 15.0324 15.0359 k = 0.0000 0.3018 0.2838 ( 4604 PWs) bands (ev): -14.6855 -14.6853 -14.4095 -14.4093 -13.0692 -13.0687 -12.7046 -12.7022 -12.5127 -12.5114 -12.3042 -12.3027 -11.9157 -11.9143 -11.7982 -11.7964 -3.2020 -3.2007 -2.6841 -2.6821 -1.9874 -1.9841 -1.3027 -1.3012 -0.8095 -0.8052 -0.2163 -0.2135 0.1210 0.1243 0.5384 0.5411 1.2117 1.2168 1.5580 1.5612 2.0294 2.0346 2.2459 2.2470 2.5230 2.5243 2.8907 2.8926 3.0051 3.0086 3.2650 3.2655 3.4388 3.4411 3.6824 3.6862 4.1413 4.1461 4.2896 4.2968 4.7579 4.7591 5.1426 5.1493 5.2641 5.2665 5.8134 5.8148 9.7558 9.7591 9.8890 9.8929 13.2939 13.3003 13.4102 13.4180 14.8287 14.8302 15.0563 15.0597 k = 0.0000 0.3149 0.2838 ( 4599 PWs) bands (ev): -14.6679 -14.6677 -14.3845 -14.3843 -13.0874 -13.0870 -12.7277 -12.7254 -12.5244 -12.5233 -12.2989 -12.2973 -11.9203 -11.9188 -11.8062 -11.8044 -3.1742 -3.1729 -2.6552 -2.6532 -2.0125 -2.0093 -1.3056 -1.3039 -0.8163 -0.8118 -0.2303 -0.2277 0.1415 0.1447 0.5246 0.5271 1.2129 1.2180 1.5628 1.5659 2.0140 2.0194 2.2364 2.2377 2.5143 2.5154 2.8742 2.8754 2.9951 2.9988 3.2560 3.2566 3.4481 3.4502 3.6780 3.6816 4.1491 4.1540 4.3122 4.3193 4.7486 4.7500 5.1277 5.1346 5.2920 5.2939 5.8174 5.8186 9.8283 9.8315 9.9733 9.9774 13.2635 13.2696 13.3850 13.3931 14.8528 14.8540 15.0735 15.0767 k = 0.0000 0.3280 0.2838 ( 4602 PWs) bands (ev): -14.6507 -14.6505 -14.3591 -14.3589 -13.1060 -13.1056 -12.7513 -12.7490 -12.5357 -12.5346 -12.2935 -12.2919 -11.9245 -11.9229 -11.8135 -11.8118 -3.1459 -3.1446 -2.6288 -2.6268 -2.0360 -2.0329 -1.3077 -1.3060 -0.8245 -0.8199 -0.2426 -0.2402 0.1604 0.1633 0.5101 0.5123 1.2153 1.2206 1.5676 1.5705 1.9987 2.0044 2.2285 2.2298 2.5067 2.5077 2.8573 2.8579 2.9858 2.9897 3.2459 3.2469 3.4577 3.4597 3.6760 3.6793 4.1563 4.1612 4.3338 4.3408 4.7384 4.7401 5.1070 5.1140 5.3253 5.3270 5.8207 5.8218 9.8983 9.9014 10.0583 10.0627 13.2336 13.2394 13.3571 13.3654 14.8745 14.8756 15.0799 15.0827 k = 0.0000 0.3412 0.2838 ( 4597 PWs) bands (ev): -14.6342 -14.6340 -14.3334 -14.3332 -13.1248 -13.1244 -12.7752 -12.7730 -12.5462 -12.5454 -12.2881 -12.2865 -11.9282 -11.9266 -11.8202 -11.8186 -3.1171 -3.1159 -2.6052 -2.6033 -2.0578 -2.0549 -1.3091 -1.3071 -0.8343 -0.8295 -0.2532 -0.2510 0.1776 0.1802 0.4951 0.4969 1.2191 1.2245 1.5723 1.5750 1.9834 1.9895 2.2221 2.2237 2.5004 2.5012 2.8398 2.8401 2.9775 2.9816 3.2351 3.2366 3.4670 3.4692 3.6762 3.6790 4.1629 4.1679 4.3545 4.3613 4.7277 4.7296 5.0840 5.0909 5.3601 5.3619 5.8234 5.8243 9.9651 9.9680 10.1439 10.1485 13.2046 13.2100 13.3263 13.3348 14.8933 14.8944 15.0731 15.0755 k = 0.0000 0.3543 0.2838 ( 4597 PWs) bands (ev): -14.6186 -14.6184 -14.3074 -14.3072 -13.1436 -13.1432 -12.7992 -12.7971 -12.5561 -12.5554 -12.2828 -12.2811 -11.9316 -11.9300 -11.8261 -11.8246 -3.0880 -3.0868 -2.5850 -2.5832 -2.0777 -2.0750 -1.3094 -1.3073 -0.8453 -0.8405 -0.2621 -0.2600 0.1932 0.1956 0.4796 0.4811 1.2241 1.2295 1.5765 1.5790 1.9681 1.9746 2.2175 2.2193 2.4956 2.4963 2.8214 2.8221 2.9704 2.9746 3.2240 3.2259 3.4759 3.4784 3.6782 3.6807 4.1689 4.1740 4.3741 4.3808 4.7168 4.7188 5.0602 5.0671 5.3948 5.3965 5.8256 5.8263 10.0277 10.0304 10.2296 10.2344 13.1771 13.1821 13.2925 13.3012 14.9087 14.9098 15.0561 15.0582 k = 0.0000 0.3674 0.2838 ( 4598 PWs) bands (ev): -14.6040 -14.6038 -14.2814 -14.2812 -13.1622 -13.1619 -12.8231 -12.8211 -12.5653 -12.5647 -12.2775 -12.2758 -11.9347 -11.9330 -11.8314 -11.8300 -3.0587 -3.0576 -2.5686 -2.5669 -2.0956 -2.0930 -1.3084 -1.3062 -0.8577 -0.8527 -0.2692 -0.2672 0.2073 0.2093 0.4638 0.4651 1.2303 1.2356 1.5801 1.5824 1.9528 1.9596 2.2148 2.2168 2.4923 2.4930 2.8025 2.8036 2.9646 2.9689 3.2127 3.2150 3.4842 3.4869 3.6819 3.6839 4.1745 4.1796 4.3926 4.3991 4.7058 4.7080 5.0364 5.0432 5.4281 5.4299 5.8275 5.8281 10.0855 10.0880 10.3151 10.3201 13.1516 13.1562 13.2557 13.2645 14.9200 14.9212 15.0344 15.0362 k = 0.0000 0.3805 0.2838 ( 4589 PWs) bands (ev): -14.5907 -14.5905 -14.2554 -14.2552 -13.1804 -13.1801 -12.8466 -12.8448 -12.5737 -12.5732 -12.2723 -12.2706 -11.9374 -11.9357 -11.8360 -11.8347 -3.0293 -3.0283 -2.5563 -2.5546 -2.1113 -2.1090 -1.3061 -1.3038 -0.8712 -0.8661 -0.2745 -0.2726 0.2198 0.2215 0.4479 0.4490 1.2374 1.2427 1.5828 1.5848 1.9375 1.9447 2.2139 2.2163 2.4906 2.4912 2.7833 2.7847 2.9603 2.9645 3.2014 3.2041 3.4917 3.4946 3.6870 3.6886 4.1796 4.1846 4.4097 4.4162 4.6953 4.6977 5.0132 5.0197 5.4596 5.4613 5.8292 5.8297 10.1377 10.1398 10.4001 10.4052 13.1286 13.1329 13.2158 13.2248 14.9261 14.9274 15.0126 15.0141 k = 0.0000 0.3936 0.2838 ( 4593 PWs) bands (ev): -14.5788 -14.5786 -14.2297 -14.2295 -13.1980 -13.1977 -12.8695 -12.8677 -12.5813 -12.5810 -12.2673 -12.2655 -11.9398 -11.9381 -11.8399 -11.8387 -3.0002 -2.9992 -2.5482 -2.5467 -2.1249 -2.1229 -1.3023 -1.2998 -0.8856 -0.8806 -0.2781 -0.2763 0.2309 0.2323 0.4322 0.4330 1.2455 1.2507 1.5844 1.5862 1.9225 1.9299 2.2149 2.2175 2.4905 2.4911 2.7639 2.7656 2.9573 2.9615 3.1904 3.1934 3.4984 3.5015 3.6930 3.6942 4.1842 4.1891 4.4251 4.4315 4.6855 4.6883 4.9908 4.9970 5.4886 5.4903 5.8310 5.8312 10.1833 10.1851 10.4840 10.4893 13.1088 13.1128 13.1731 13.1820 14.9256 14.9267 14.9946 14.9956 k = 0.0000 0.4068 0.2838 ( 4593 PWs) bands (ev): -14.5687 -14.5685 -14.2045 -14.2043 -13.2148 -13.2146 -12.8913 -12.8897 -12.5881 -12.5879 -12.2623 -12.2605 -11.9419 -11.9402 -11.8432 -11.8421 -2.9714 -2.9705 -2.5444 -2.5429 -2.1365 -2.1348 -1.2968 -1.2941 -0.9009 -0.8959 -0.2800 -0.2783 0.2404 0.2415 0.4169 0.4176 1.2542 1.2593 1.5847 1.5862 1.9079 1.9155 2.2176 2.2205 2.4919 2.4926 2.7446 2.7465 2.9557 2.9599 3.1796 3.1829 3.5043 3.5075 3.6997 3.7005 4.1881 4.1929 4.4385 4.4449 4.6769 4.6802 4.9698 4.9755 5.5149 5.5166 5.8327 5.8328 10.2217 10.2232 10.5664 10.5718 13.0925 13.0964 13.1278 13.1366 14.9172 14.9178 14.9827 14.9833 k = 0.0000 0.4199 0.2838 ( 4598 PWs) bands (ev): -14.5604 -14.5602 -14.1799 -14.1797 -13.2306 -13.2304 -12.9119 -12.9104 -12.5940 -12.5940 -12.2575 -12.2556 -11.9438 -11.9420 -11.8459 -11.8449 -2.9433 -2.9425 -2.5444 -2.5431 -2.1464 -2.1449 -1.2895 -1.2866 -0.9169 -0.9119 -0.2803 -0.2787 0.2483 0.2492 0.4023 0.4029 1.2635 1.2683 1.5834 1.5846 1.8942 1.9017 2.2216 2.2249 2.4947 2.4955 2.7257 2.7278 2.9553 2.9595 3.1691 3.1728 3.5095 3.5126 3.7067 3.7071 4.1913 4.1958 4.4493 4.4559 4.6701 4.6741 4.9505 4.9556 5.5383 5.5400 5.8344 5.8345 10.2521 10.2534 10.6467 10.6521 13.0762 13.0840 13.0843 13.0894 14.9023 14.9026 14.9761 14.9768 k = 0.0000 0.4330 0.2838 ( 4600 PWs) bands (ev): -14.5541 -14.5540 -14.1563 -14.1561 -13.2452 -13.2450 -12.9308 -12.9294 -12.5992 -12.5991 -12.2529 -12.2510 -11.9454 -11.9435 -11.8480 -11.8471 -2.9164 -2.9156 -2.5478 -2.5466 -2.1550 -2.1537 -1.2803 -1.2773 -0.9334 -0.9284 -0.2790 -0.2774 0.2543 0.2551 0.3890 0.3894 1.2731 1.2777 1.5805 1.5814 1.8816 1.8890 2.2266 2.2302 2.4989 2.4997 2.7077 2.7100 2.9563 2.9604 3.1592 3.1631 3.5139 3.5169 3.7137 3.7139 4.1936 4.1979 4.4572 4.4641 4.6654 4.6702 4.9334 4.9377 5.5588 5.5604 5.8359 5.8361 10.2738 10.2751 10.7243 10.7298 13.0296 13.0386 13.0747 13.0776 14.8844 14.8846 14.9723 14.9733 k = 0.0000 0.4461 0.2838 ( 4599 PWs) bands (ev): -14.5501 -14.5499 -14.1339 -14.1337 -13.2585 -13.2584 -12.9476 -12.9464 -12.6035 -12.6033 -12.2485 -12.2465 -11.9467 -11.9448 -11.8495 -11.8487 -2.8910 -2.8904 -2.5538 -2.5528 -2.1625 -2.1615 -1.2694 -1.2662 -0.9502 -0.9452 -0.2761 -0.2746 0.2582 0.2590 0.3772 0.3777 1.2829 1.2872 1.5759 1.5765 1.8704 1.8776 2.2319 2.2358 2.5043 2.5051 2.6911 2.6935 2.9583 2.9624 3.1497 3.1540 3.5176 3.5205 3.7203 3.7207 4.1949 4.1988 4.4619 4.4691 4.6631 4.6689 4.9188 4.9223 5.5764 5.5779 5.8371 5.8375 10.2864 10.2879 10.7985 10.8041 12.9789 12.9876 13.0724 13.0758 14.8656 14.8658 14.9701 14.9711 k = 0.0000 0.4593 0.2838 ( 4606 PWs) bands (ev): -14.5484 -14.5482 -14.1130 -14.1128 -13.2704 -13.2703 -12.9622 -12.9611 -12.6070 -12.6067 -12.2443 -12.2422 -11.9477 -11.9458 -11.8505 -11.8497 -2.8680 -2.8674 -2.5616 -2.5607 -2.1693 -2.1685 -1.2566 -1.2533 -0.9672 -0.9623 -0.2718 -0.2704 0.2596 0.2605 0.3677 0.3682 1.2925 1.2965 1.5696 1.5700 1.8612 1.8680 2.2368 2.2410 2.5107 2.5117 2.6763 2.6789 2.9613 2.9654 3.1409 3.1455 3.5207 3.5235 3.7267 3.7273 4.1949 4.1984 4.4635 4.4711 4.6633 4.6699 4.9073 4.9097 5.5912 5.5926 5.8379 5.8383 10.2896 10.2914 10.8686 10.8741 12.9277 12.9361 13.0756 13.0794 14.8468 14.8471 14.9690 14.9699 k = 0.0000 0.4593 0.2838 ( 4606 PWs) bands (ev): -14.5484 -14.5482 -14.1130 -14.1128 -13.2704 -13.2703 -12.9622 -12.9611 -12.6070 -12.6067 -12.2443 -12.2422 -11.9477 -11.9458 -11.8505 -11.8497 -2.8680 -2.8674 -2.5616 -2.5607 -2.1693 -2.1685 -1.2566 -1.2533 -0.9672 -0.9623 -0.2718 -0.2704 0.2596 0.2605 0.3677 0.3682 1.2925 1.2965 1.5696 1.5700 1.8612 1.8680 2.2368 2.2410 2.5107 2.5117 2.6763 2.6789 2.9613 2.9654 3.1409 3.1455 3.5207 3.5235 3.7267 3.7273 4.1949 4.1984 4.4635 4.4711 4.6633 4.6699 4.9073 4.9097 5.5912 5.5926 5.8379 5.8383 10.2896 10.2914 10.8686 10.8741 12.9277 12.9361 13.0756 13.0794 14.8468 14.8471 14.9690 14.9699 k = 0.0000 0.4634 0.2727 ( 4606 PWs) bands (ev): -14.5526 -14.5525 -14.0956 -14.0953 -13.2809 -13.2808 -12.9762 -12.9752 -12.6065 -12.6062 -12.2293 -12.2273 -11.9502 -11.9483 -11.8527 -11.8520 -2.8553 -2.8548 -2.5730 -2.5723 -2.1851 -2.1844 -1.2379 -1.2344 -0.9776 -0.9728 -0.2433 -0.2419 0.2664 0.2674 0.3415 0.3421 1.2861 1.2899 1.5704 1.5709 1.8586 1.8646 2.2562 2.2604 2.5198 2.5224 2.6724 2.6738 2.9491 2.9531 3.1240 3.1285 3.5212 3.5237 3.7253 3.7259 4.1922 4.1955 4.4762 4.4832 4.6695 4.6761 4.9014 4.9035 5.5998 5.6011 5.8278 5.8283 10.3144 10.3164 10.8520 10.8573 12.9350 12.9430 13.0708 13.0746 14.8270 14.8273 14.9596 14.9604 k = 0.0000 0.4675 0.2616 ( 4602 PWs) bands (ev): -14.5566 -14.5565 -14.0789 -14.0787 -13.2912 -13.2912 -12.9887 -12.9878 -12.6061 -12.6059 -12.2154 -12.2135 -11.9528 -11.9510 -11.8546 -11.8540 -2.8434 -2.8429 -2.5830 -2.5824 -2.2004 -2.1997 -1.2191 -1.2154 -0.9888 -0.9840 -0.2142 -0.2128 0.2675 0.2686 0.3201 0.3207 1.2803 1.2839 1.5696 1.5702 1.8579 1.8632 2.2755 2.2797 2.5228 2.5269 2.6732 2.6735 2.9379 2.9418 3.1078 3.1123 3.5215 3.5238 3.7244 3.7249 4.1891 4.1921 4.4887 4.4951 4.6750 4.6813 4.8960 4.8977 5.6088 5.6100 5.8175 5.8179 10.3373 10.3393 10.8369 10.8419 12.9389 12.9462 13.0691 13.0726 14.8094 14.8097 14.9509 14.9516 k = 0.0000 0.4716 0.2505 ( 4600 PWs) bands (ev): -14.5602 -14.5601 -14.0634 -14.0632 -13.3012 -13.3012 -12.9995 -12.9988 -12.6058 -12.6056 -12.2027 -12.2010 -11.9554 -11.9537 -11.8563 -11.8557 -2.8325 -2.8321 -2.5917 -2.5911 -2.2146 -2.2140 -1.2003 -1.1965 -1.0007 -0.9959 -0.1848 -0.1835 0.2555 0.2565 0.3110 0.3114 1.2753 1.2785 1.5676 1.5682 1.8587 1.8632 2.2946 2.2989 2.5194 2.5247 2.6781 2.6793 2.9276 2.9312 3.0928 3.0970 3.5217 3.5238 3.7237 3.7241 4.1858 4.1885 4.5004 4.5062 4.6797 4.6855 4.8911 4.8925 5.6180 5.6191 5.8071 5.8075 10.3579 10.3600 10.8234 10.8280 12.9398 12.9462 13.0699 13.0730 14.7940 14.7943 14.9430 14.9436 k = 0.0000 0.4757 0.2394 ( 4600 PWs) bands (ev): -14.5634 -14.5633 -14.0494 -14.0492 -13.3105 -13.3105 -13.0087 -13.0081 -12.6055 -12.6053 -12.1915 -12.1900 -11.9580 -11.9564 -11.8577 -11.8572 -2.8229 -2.8225 -2.5988 -2.5983 -2.2276 -2.2270 -1.1818 -1.1779 -1.0133 -1.0086 -0.1555 -0.1543 0.2325 0.2333 0.3123 0.3125 1.2709 1.2737 1.5647 1.5655 1.8605 1.8642 2.3134 2.3179 2.5108 2.5168 2.6871 2.6887 2.9182 2.9215 3.0792 3.0830 3.5219 3.5237 3.7232 3.7236 4.1827 4.1849 4.5112 4.5163 4.6837 4.6889 4.8867 4.8879 5.6272 5.6282 5.7969 5.7973 10.3761 10.3780 10.8116 10.8157 12.9387 12.9440 13.0724 13.0749 14.7810 14.7813 14.9360 14.9365 k = 0.0000 0.4798 0.2283 ( 4597 PWs) bands (ev): -14.5661 -14.5660 -14.0374 -14.0372 -13.3188 -13.3187 -13.0162 -13.0157 -12.6052 -12.6051 -12.1819 -12.1806 -11.9604 -11.9590 -11.8588 -11.8584 -2.8147 -2.8143 -2.6045 -2.6041 -2.2388 -2.2383 -1.1636 -1.1596 -1.0264 -1.0218 -0.1270 -0.1260 0.2061 0.2067 0.3167 0.3168 1.2674 1.2697 1.5617 1.5624 1.8629 1.8659 2.3319 2.3364 2.4987 2.5048 2.6981 2.6998 2.9098 2.9127 3.0673 3.0707 3.5220 3.5235 3.7230 3.7233 4.1799 4.1817 4.5206 4.5248 4.6871 4.6915 4.8830 4.8840 5.6361 5.6370 5.7872 5.7876 10.3915 10.3933 10.8018 10.8053 12.9365 12.9407 13.0757 13.0776 14.7704 14.7706 14.9301 14.9305 k = 0.0000 0.4839 0.2172 ( 4601 PWs) bands (ev): -14.5682 -14.5681 -14.0275 -14.0274 -13.3257 -13.3256 -13.0219 -13.0216 -12.6051 -12.6050 -12.1741 -12.1731 -11.9624 -11.9613 -11.8597 -11.8594 -2.8081 -2.8078 -2.6088 -2.6086 -2.2479 -2.2475 -1.1461 -1.1421 -1.0400 -1.0355 -0.1003 -0.0994 0.1802 0.1807 0.3211 0.3212 1.2647 1.2665 1.5589 1.5595 1.8654 1.8675 2.3498 2.3542 2.4849 2.4907 2.7093 2.7107 2.9027 2.9050 3.0577 3.0604 3.5221 3.5232 3.7228 3.7231 4.1776 4.1790 4.5283 4.5316 4.6898 4.6933 4.8800 4.8807 5.6442 5.6449 5.7785 5.7788 10.4040 10.4054 10.7940 10.7967 12.9341 12.9372 13.0790 13.0804 14.7621 14.7623 14.9254 14.9257 k = 0.0000 0.4880 0.2061 ( 4593 PWs) bands (ev): -14.5697 -14.5697 -14.0202 -14.0202 -13.3309 -13.3308 -13.0260 -13.0258 -12.6049 -12.6049 -12.1683 -12.1676 -11.9639 -11.9631 -11.8603 -11.8600 -2.8032 -2.8030 -2.6118 -2.6116 -2.2546 -2.2544 -1.1295 -1.1258 -1.0533 -1.0492 -0.0772 -0.0765 0.1574 0.1578 0.3247 0.3247 1.2628 1.2640 1.5566 1.5570 1.8675 1.8690 2.3662 2.3703 2.4713 2.4763 2.7188 2.7199 2.8971 2.8988 3.0507 3.0526 3.5223 3.5230 3.7228 3.7229 4.1760 4.1769 4.5342 4.5364 4.6919 4.6943 4.8779 4.8784 5.6510 5.6515 5.7714 5.7717 10.4132 10.4142 10.7884 10.7903 12.9321 12.9341 13.0818 13.0827 14.7562 14.7563 14.9220 14.9222 k = 0.0000 0.4922 0.1950 ( 4585 PWs) bands (ev): -14.5707 -14.5706 -14.0158 -14.0157 -13.3341 -13.3341 -13.0284 -13.0283 -12.6048 -12.6048 -12.1647 -12.1644 -11.9648 -11.9644 -11.8606 -11.8605 -2.8003 -2.8002 -2.6136 -2.6135 -2.2588 -2.2586 -1.1152 -1.1122 -1.0650 -1.0620 -0.0605 -0.0601 0.1410 0.1413 0.3269 0.3270 1.2618 1.2624 1.5552 1.5554 1.8691 1.8698 2.3796 2.3824 2.4605 2.4637 2.7253 2.7259 2.8937 2.8945 3.0465 3.0475 3.5224 3.5228 3.7227 3.7228 4.1751 4.1755 4.5380 4.5392 4.6935 4.6947 4.8766 4.8768 5.6556 5.6558 5.7667 5.7668 10.4189 10.4195 10.7852 10.7862 12.9310 12.9319 13.0837 13.0841 14.7527 14.7527 14.9199 14.9200 k = 0.0000 0.4963 0.1840 ( 4586 PWs) bands (ev): -14.5710 -14.5710 -14.0142 -14.0142 -13.3352 -13.3352 -13.0292 -13.0292 -12.6048 -12.6048 -12.1634 -12.1634 -11.9650 -11.9650 -11.8607 -11.8607 -2.7992 -2.7992 -2.6141 -2.6141 -2.2601 -2.2601 -1.1072 -1.1072 -1.0695 -1.0695 -0.0542 -0.0542 0.1350 0.1350 0.3277 0.3277 1.2616 1.2616 1.5548 1.5548 1.8698 1.8698 2.3862 2.3862 2.4572 2.4572 2.7278 2.7278 2.8927 2.8927 3.0455 3.0455 3.5226 3.5226 3.7228 3.7228 4.1749 4.1749 4.5397 4.5397 4.6944 4.6944 4.8762 4.8762 5.6573 5.6573 5.7650 5.7650 10.4211 10.4211 10.7845 10.7845 12.9309 12.9309 13.0844 13.0844 14.7515 14.7515 14.9193 14.9193 k = 0.0000 0.4963 0.1840 ( 4586 PWs) bands (ev): -14.5710 -14.5710 -14.0142 -14.0142 -13.3352 -13.3352 -13.0292 -13.0292 -12.6048 -12.6048 -12.1634 -12.1634 -11.9650 -11.9650 -11.8607 -11.8607 -2.7992 -2.7992 -2.6141 -2.6141 -2.2601 -2.2601 -1.1072 -1.1072 -1.0695 -1.0695 -0.0542 -0.0542 0.1350 0.1350 0.3277 0.3277 1.2616 1.2616 1.5548 1.5548 1.8698 1.8698 2.3862 2.3862 2.4572 2.4572 2.7278 2.7278 2.8927 2.8927 3.0455 3.0455 3.5226 3.5226 3.7228 3.7228 4.1749 4.1749 4.5397 4.5397 4.6944 4.6944 4.8762 4.8762 5.6573 5.6573 5.7650 5.7650 10.4211 10.4211 10.7845 10.7845 12.9309 12.9309 13.0844 13.0844 14.7515 14.7515 14.9193 14.9193 k = 0.0128 0.4963 0.1840 ( 4586 PWs) bands (ev): -14.5703 -14.5702 -14.0136 -14.0136 -13.3350 -13.3350 -13.0291 -13.0291 -12.6049 -12.6048 -12.1635 -12.1635 -11.9659 -11.9658 -11.8619 -11.8618 -2.8095 -2.8093 -2.6049 -2.6048 -2.2597 -2.2595 -1.1061 -1.1060 -1.0689 -1.0688 -0.0551 -0.0548 0.1344 0.1345 0.3282 0.3283 1.2611 1.2613 1.5529 1.5533 1.8713 1.8719 2.3861 2.3867 2.4534 2.4535 2.7224 2.7228 2.8925 2.8927 3.0541 3.0548 3.5249 3.5251 3.7235 3.7236 4.1753 4.1755 4.5388 4.5388 4.6937 4.6939 4.8768 4.8772 5.6574 5.6575 5.7639 5.7641 10.4216 10.4217 10.7851 10.7853 12.9304 12.9309 13.0832 13.0832 14.7492 14.7495 14.9189 14.9194 k = 0.0256 0.4963 0.1840 ( 4584 PWs) bands (ev): -14.5681 -14.5681 -14.0117 -14.0116 -13.3344 -13.3344 -13.0289 -13.0288 -12.6050 -12.6050 -12.1640 -12.1639 -11.9686 -11.9685 -11.8654 -11.8653 -2.8355 -2.8352 -2.5818 -2.5816 -2.2582 -2.2579 -1.1027 -1.1026 -1.0671 -1.0669 -0.0575 -0.0571 0.1329 0.1330 0.3298 0.3300 1.2596 1.2599 1.5480 1.5488 1.8760 1.8772 2.3863 2.3874 2.4415 2.4417 2.7097 2.7103 2.8919 2.8924 3.0780 3.0794 3.5321 3.5326 3.7256 3.7259 4.1767 4.1770 4.5362 4.5362 4.6919 4.6923 4.8789 4.8795 5.6578 5.6579 5.7606 5.7611 10.4234 10.4236 10.7873 10.7876 12.9295 12.9304 13.0794 13.0796 14.7424 14.7431 14.9181 14.9192 k = 0.0385 0.4963 0.1840 ( 4576 PWs) bands (ev): -14.5646 -14.5646 -14.0085 -14.0084 -13.3335 -13.3335 -13.0285 -13.0284 -12.6053 -12.6052 -12.1647 -12.1647 -11.9732 -11.9730 -11.8713 -11.8712 -2.8701 -2.8697 -2.5520 -2.5517 -2.2558 -2.2554 -1.0971 -1.0969 -1.0640 -1.0638 -0.0615 -0.0608 0.1305 0.1306 0.3323 0.3326 1.2573 1.2578 1.5402 1.5414 1.8838 1.8856 2.3868 2.3886 2.4206 2.4208 2.6959 2.6967 2.8912 2.8919 3.1117 3.1136 3.5443 3.5450 3.7293 3.7297 4.1790 4.1796 4.5319 4.5319 4.6889 4.6896 4.8824 4.8833 5.6584 5.6587 5.7554 5.7561 10.4265 10.4268 10.7909 10.7914 12.9280 12.9293 13.0732 13.0735 14.7315 14.7324 14.9170 14.9186 k = 0.0513 0.4963 0.1840 ( 4580 PWs) bands (ev): -14.5597 -14.5596 -14.0040 -14.0039 -13.3322 -13.3322 -13.0279 -13.0278 -12.6057 -12.6056 -12.1657 -12.1657 -11.9795 -11.9792 -11.8795 -11.8793 -2.9089 -2.9085 -2.5200 -2.5196 -2.2525 -2.2520 -1.0892 -1.0890 -1.0596 -1.0593 -0.0669 -0.0661 0.1275 0.1277 0.3354 0.3358 1.2541 1.2547 1.5302 1.5316 1.8941 1.8964 2.3852 2.3874 2.3926 2.3931 2.6862 2.6870 2.8904 2.8912 3.1502 3.1526 3.5616 3.5624 3.7343 3.7349 4.1825 4.1832 4.5260 4.5260 4.6849 4.6857 4.8871 4.8883 5.6593 5.6596 5.7481 5.7491 10.4307 10.4311 10.7960 10.7967 12.9260 12.9277 13.0648 13.0651 14.7164 14.7176 14.9153 14.9175 k = 0.0641 0.4963 0.1840 ( 4578 PWs) bands (ev): -14.5533 -14.5533 -13.9982 -13.9981 -13.3306 -13.3306 -13.0272 -13.0271 -12.6062 -12.6061 -12.1671 -12.1671 -11.9876 -11.9873 -11.8899 -11.8896 -2.9499 -2.9493 -2.4879 -2.4874 -2.2485 -2.2478 -1.0789 -1.0786 -1.0538 -1.0534 -0.0737 -0.0727 0.1241 0.1243 0.3391 0.3395 1.2502 1.2509 1.5183 1.5200 1.9065 1.9093 2.3499 2.3508 2.3902 2.3927 2.6825 2.6835 2.8895 2.8906 3.1900 3.1928 3.5839 3.5849 3.7406 3.7413 4.1871 4.1879 4.5186 4.5186 4.6798 4.6809 4.8929 4.8944 5.6604 5.6608 5.7391 5.7403 10.4361 10.4366 10.8026 10.8034 12.9233 12.9254 13.0541 13.0546 14.6974 14.6988 14.9130 14.9158 k = 0.0769 0.4963 0.1840 ( 4578 PWs) bands (ev): -14.5456 -14.5456 -13.9912 -13.9911 -13.3287 -13.3286 -13.0264 -13.0262 -12.6069 -12.6068 -12.1688 -12.1687 -11.9975 -11.9970 -11.9024 -11.9021 -2.9917 -2.9911 -2.4570 -2.4564 -2.2437 -2.2429 -1.0662 -1.0659 -1.0465 -1.0460 -0.0818 -0.0805 0.1205 0.1207 0.3428 0.3433 1.2455 1.2464 1.5052 1.5069 1.9204 1.9236 2.3042 2.3051 2.3920 2.3953 2.6848 2.6858 2.8889 2.8901 3.2290 3.2322 3.6111 3.6121 3.7482 3.7490 4.1929 4.1939 4.5099 4.5099 4.6739 4.6752 4.8995 4.9012 5.6618 5.6623 5.7284 5.7298 10.4427 10.4433 10.8105 10.8115 12.9199 12.9224 13.0415 13.0420 14.6747 14.6763 14.9098 14.9133 k = 0.0897 0.4963 0.1840 ( 4578 PWs) bands (ev): -14.5365 -14.5364 -13.9829 -13.9828 -13.3264 -13.3263 -13.0253 -13.0252 -12.6077 -12.6075 -12.1709 -12.1708 -12.0091 -12.0085 -11.9169 -11.9166 -3.0338 -3.0332 -2.4281 -2.4273 -2.2385 -2.2376 -1.0512 -1.0508 -1.0376 -1.0371 -0.0910 -0.0896 0.1170 0.1172 0.3466 0.3470 1.2403 1.2413 1.4910 1.4929 1.9353 1.9390 2.2538 2.2548 2.3946 2.3985 2.6920 2.6931 2.8886 2.8900 3.2661 3.2694 3.6425 3.6436 3.7569 3.7578 4.2001 4.2012 4.4999 4.5000 4.6672 4.6688 4.9068 4.9087 5.6633 5.6639 5.7162 5.7178 10.4505 10.4512 10.8199 10.8210 12.9156 12.9185 13.0270 13.0275 14.6486 14.6503 14.9057 14.9099 k = 0.1026 0.4963 0.1840 ( 4578 PWs) bands (ev): -14.5260 -14.5259 -13.9734 -13.9732 -13.3238 -13.3237 -13.0242 -13.0240 -12.6086 -12.6084 -12.1734 -12.1733 -12.0223 -12.0217 -11.9334 -11.9330 -3.0758 -3.0751 -2.4016 -2.4007 -2.2330 -2.2320 -1.0341 -1.0336 -1.0267 -1.0263 -0.1013 -0.0996 0.1136 0.1139 0.3501 0.3505 1.2345 1.2357 1.4764 1.4783 1.9508 1.9551 2.2006 2.2018 2.3979 2.4025 2.7031 2.7042 2.8887 2.8903 3.3005 3.3039 3.6774 3.6785 3.7665 3.7676 4.2088 4.2100 4.4889 4.4889 4.6600 4.6619 4.9144 4.9166 5.6650 5.6657 5.7027 5.7046 10.4593 10.4601 10.8306 10.8319 12.9104 12.9136 13.0109 13.0114 14.6194 14.6212 14.9005 14.9054 k = 0.1154 0.4963 0.1840 ( 4572 PWs) bands (ev): -14.5142 -14.5141 -13.9627 -13.9625 -13.3209 -13.3208 -13.0229 -13.0227 -12.6098 -12.6095 -12.1764 -12.1763 -12.0372 -12.0366 -11.9515 -11.9511 -3.1173 -3.1165 -2.3778 -2.3769 -2.2274 -2.2262 -1.0173 -1.0164 -1.0115 -1.0114 -0.1123 -0.1104 0.1105 0.1109 0.3532 0.3535 1.2284 1.2297 1.4614 1.4634 1.9665 1.9713 2.1459 2.1473 2.4021 2.4074 2.7170 2.7182 2.8896 2.8913 3.3323 3.3357 3.7146 3.7156 3.7770 3.7783 4.2191 4.2203 4.4768 4.4769 4.6527 4.6548 4.9223 4.9246 5.6668 5.6675 5.6882 5.6903 10.4692 10.4701 10.8426 10.8440 12.9042 12.9076 12.9933 12.9939 14.5873 14.5892 14.8941 14.8998 k = 0.1282 0.4963 0.1840 ( 4578 PWs) bands (ev): -14.5010 -14.5009 -13.9507 -13.9505 -13.3177 -13.3177 -13.0215 -13.0212 -12.6111 -12.6108 -12.1800 -12.1799 -12.0537 -12.0530 -11.9711 -11.9707 -3.1580 -3.1572 -2.3570 -2.3560 -2.2217 -2.2205 -1.0026 -1.0016 -0.9901 -0.9900 -0.1241 -0.1220 0.1078 0.1082 0.3560 0.3562 1.2221 1.2235 1.4464 1.4483 1.9822 1.9875 2.0907 2.0922 2.4073 2.4133 2.7330 2.7342 2.8913 2.8931 3.3616 3.3650 3.7527 3.7535 3.7883 3.7896 4.2312 4.2323 4.4639 4.4640 4.6455 4.6480 4.9300 4.9326 5.6685 5.6693 5.6731 5.6753 10.4800 10.4811 10.8558 10.8575 12.8967 12.9004 12.9746 12.9752 14.5527 14.5546 14.8866 14.8930 k = 0.1410 0.4963 0.1840 ( 4578 PWs) bands (ev): -14.4865 -14.4865 -13.9375 -13.9373 -13.3144 -13.3143 -13.0199 -13.0197 -12.6126 -12.6123 -12.1843 -12.1842 -12.0718 -12.0710 -11.9920 -11.9915 -3.1979 -3.1971 -2.3393 -2.3382 -2.2163 -2.2150 -0.9869 -0.9858 -0.9657 -0.9657 -0.1364 -0.1341 0.1054 0.1059 0.3583 0.3584 1.2156 1.2171 1.4314 1.4334 1.9974 2.0033 2.0357 2.0373 2.4137 2.4205 2.7504 2.7516 2.8940 2.8959 3.3887 3.3920 3.7901 3.7910 3.8002 3.8018 4.2449 4.2459 4.4502 4.4503 4.6391 4.6419 4.9375 4.9402 5.6568 5.6592 5.6708 5.6717 10.4918 10.4930 10.8702 10.8721 12.8881 12.8920 12.9549 12.9555 14.5159 14.5178 14.8781 14.8850 k = 0.1538 0.4963 0.1840 ( 4574 PWs) bands (ev): -14.4708 -14.4707 -13.9232 -13.9230 -13.3108 -13.3107 -13.0182 -13.0180 -12.6143 -12.6139 -12.1896 -12.1896 -12.0914 -12.0906 -12.0136 -12.0131 -3.2367 -3.2359 -2.3246 -2.3234 -2.2113 -2.2099 -0.9696 -0.9684 -0.9392 -0.9392 -0.1489 -0.1464 0.1033 0.1037 0.3602 0.3604 1.2092 1.2108 1.4167 1.4186 1.9814 1.9830 2.0120 2.0183 2.4216 2.4290 2.7687 2.7699 2.8979 2.8999 3.4138 3.4170 3.8123 3.8136 3.8267 3.8272 4.2602 4.2609 4.4358 4.4360 4.6341 4.6374 4.9446 4.9474 5.6406 5.6432 5.6727 5.6736 10.5045 10.5058 10.8858 10.8878 12.8782 12.8823 12.9345 12.9351 14.4773 14.4792 14.8686 14.8761 k = 0.1667 0.4963 0.1840 ( 4568 PWs) bands (ev): -14.4538 -14.4537 -13.9078 -13.9075 -13.3070 -13.3069 -13.0165 -13.0162 -12.6163 -12.6159 -12.1962 -12.1962 -12.1124 -12.1115 -12.0357 -12.0351 -3.2744 -3.2735 -2.3130 -2.3117 -2.2068 -2.2053 -0.9506 -0.9493 -0.9109 -0.9108 -0.1616 -0.1589 0.1012 0.1017 0.3619 0.3623 1.2029 1.2046 1.4023 1.4041 1.9281 1.9299 2.0255 2.0324 2.4311 2.4392 2.7872 2.7884 2.9030 2.9051 3.4371 3.4402 3.8250 3.8265 3.8599 3.8606 4.2766 4.2769 4.4208 4.4211 4.6315 4.6352 4.9510 4.9540 5.6243 5.6271 5.6745 5.6756 10.5180 10.5194 10.9024 10.9045 12.8669 12.8712 12.9136 12.9142 14.4372 14.4391 14.8585 14.8665 k = 0.1795 0.4963 0.1840 ( 4568 PWs) bands (ev): -14.4355 -14.4354 -13.8912 -13.8909 -13.3031 -13.3030 -13.0146 -13.0142 -12.6186 -12.6181 -12.2047 -12.2047 -12.1349 -12.1339 -12.0574 -12.0568 -3.3108 -3.3099 -2.3043 -2.3030 -2.2029 -2.2014 -0.9301 -0.9286 -0.8811 -0.8808 -0.1742 -0.1713 0.0989 0.0995 0.3637 0.3643 1.1969 1.1987 1.3883 1.3901 1.8763 1.8782 2.0378 2.0452 2.4425 2.4511 2.8055 2.8066 2.9095 2.9116 3.4586 3.4615 3.8379 3.8394 3.8900 3.8908 4.2931 4.2933 4.4053 4.4057 4.6323 4.6364 4.9565 4.9597 5.6082 5.6112 5.6763 5.6774 10.5323 10.5337 10.9199 10.9222 12.8543 12.8587 12.8924 12.8930 14.3960 14.3978 14.8480 14.8563 k = 0.1923 0.4963 0.1840 ( 4566 PWs) bands (ev): -14.4160 -14.4159 -13.8735 -13.8732 -13.2991 -13.2990 -13.0126 -13.0122 -12.6212 -12.6207 -12.2155 -12.2154 -12.1586 -12.1576 -12.0779 -12.0774 -3.3459 -3.3451 -2.2983 -2.2969 -2.1998 -2.1982 -0.9081 -0.9064 -0.8501 -0.8497 -0.1866 -0.1834 0.0963 0.0969 0.3659 0.3667 1.1914 1.1933 1.3747 1.3764 1.8262 1.8282 2.0489 2.0566 2.4558 2.4649 2.8230 2.8241 2.9173 2.9196 3.4783 3.4811 3.8508 3.8523 3.9165 3.9176 4.3085 4.3093 4.3895 4.3900 4.6375 4.6420 4.9611 4.9644 5.5926 5.5956 5.6778 5.6791 10.5472 10.5487 10.9383 10.9407 12.8404 12.8448 12.8712 12.8718 14.3540 14.3557 14.8373 14.8458 k = 0.2051 0.4963 0.1840 ( 4566 PWs) bands (ev): -14.3954 -14.3953 -13.8548 -13.8545 -13.2951 -13.2949 -13.0106 -13.0102 -12.6242 -12.6236 -12.2294 -12.2293 -12.1836 -12.1826 -12.0965 -12.0960 -3.3797 -3.3788 -2.2948 -2.2934 -2.1975 -2.1959 -0.8849 -0.8831 -0.8181 -0.8176 -0.1983 -0.1950 0.0929 0.0935 0.3687 0.3698 1.1864 1.1884 1.3616 1.3631 1.7781 1.7802 2.0585 2.0666 2.4712 2.4807 2.8391 2.8402 2.9267 2.9290 3.4962 3.4988 3.8636 3.8652 3.9397 3.9410 4.3222 4.3235 4.3734 4.3740 4.6478 4.6527 4.9646 4.9679 5.5776 5.5808 5.6792 5.6805 10.5626 10.5642 10.9574 10.9600 12.8251 12.8297 12.8501 12.8507 14.3114 14.3131 14.8267 14.8354 k = 0.2179 0.4963 0.1840 ( 4560 PWs) bands (ev): -14.3737 -14.3736 -13.8351 -13.8347 -13.2910 -13.2909 -13.0084 -13.0080 -12.6276 -12.6269 -12.2469 -12.2466 -12.2098 -12.2087 -12.1125 -12.1120 -3.4120 -3.4111 -2.2936 -2.2922 -2.1961 -2.1945 -0.8608 -0.8588 -0.7856 -0.7848 -0.2093 -0.2058 0.0885 0.0891 0.3726 0.3739 1.1823 1.1844 1.3488 1.3502 1.7320 1.7342 2.0667 2.0749 2.4886 2.4984 2.8534 2.8545 2.9376 2.9400 3.5120 3.5144 3.8762 3.8777 3.9598 3.9614 4.3336 4.3352 4.3572 4.3582 4.6637 4.6687 4.9668 4.9702 5.5636 5.5669 5.6803 5.6817 10.5786 10.5802 10.9772 10.9799 12.8088 12.8134 12.8293 12.8299 14.2688 14.2703 14.8163 14.8250 k = 0.2308 0.4963 0.1840 ( 4560 PWs) bands (ev): -14.3509 -14.3508 -13.8144 -13.8140 -13.2871 -13.2869 -13.0062 -13.0058 -12.6315 -12.6308 -12.2678 -12.2673 -12.2371 -12.2360 -12.1256 -12.1252 -3.4428 -3.4420 -2.2944 -2.2930 -2.1955 -2.1939 -0.8361 -0.8339 -0.7527 -0.7517 -0.2193 -0.2157 0.0829 0.0834 0.3778 0.3794 1.1790 1.1812 1.3365 1.3378 1.6883 1.6906 2.0734 2.0818 2.5080 2.5179 2.8653 2.8662 2.9501 2.9525 3.5258 3.5280 3.8884 3.8899 3.9774 3.9793 4.3400 4.3406 4.3431 4.3468 4.6848 4.6897 4.9676 4.9711 5.5508 5.5541 5.6811 5.6825 10.5949 10.5967 10.9975 11.0003 12.7913 12.7959 12.8090 12.8096 14.2263 14.2277 14.8064 14.8150 k = 0.2436 0.4963 0.1840 ( 4568 PWs) bands (ev): -14.3271 -14.3269 -13.7927 -13.7924 -13.2833 -13.2831 -13.0040 -13.0035 -12.6360 -12.6352 -12.2917 -12.2910 -12.2655 -12.2642 -12.1360 -12.1357 -3.4722 -3.4713 -2.2970 -2.2956 -2.1958 -2.1942 -0.8112 -0.8088 -0.7197 -0.7186 -0.2280 -0.2242 0.0758 0.0763 0.3844 0.3862 1.1769 1.1791 1.3245 1.3257 1.6471 1.6494 2.0789 2.0873 2.5292 2.5390 2.8740 2.8749 2.9641 2.9666 3.5374 3.5394 3.9000 3.9014 3.9930 3.9952 4.3249 4.3256 4.3500 4.3527 4.7099 4.7146 4.9669 4.9705 5.5394 5.5427 5.6816 5.6830 10.6115 10.6133 11.0181 11.0210 12.7731 12.7775 12.7892 12.7897 14.1842 14.1856 14.7969 14.8055 k = 0.2564 0.4963 0.1840 ( 4570 PWs) bands (ev): -14.3023 -14.3022 -13.7703 -13.7699 -13.2796 -13.2794 -13.0016 -13.0011 -12.6412 -12.6403 -12.3177 -12.3169 -12.2947 -12.2935 -12.1444 -12.1441 -3.5000 -3.4992 -2.3011 -2.2997 -2.1969 -2.1953 -0.7866 -0.7841 -0.6870 -0.6857 -0.2352 -0.2312 0.0673 0.0676 0.3927 0.3947 1.1759 1.1782 1.3129 1.3141 1.6084 1.6109 2.0832 2.0915 2.5520 2.5616 2.8791 2.8800 2.9797 2.9823 3.5470 3.5487 3.9109 3.9121 4.0074 4.0097 4.3093 4.3104 4.3561 4.3587 4.7378 4.7422 4.9647 4.9684 5.5297 5.5329 5.6817 5.6832 10.6284 10.6302 11.0390 11.0420 12.7542 12.7583 12.7702 12.7705 14.1429 14.1442 14.7881 14.7965 k = 0.2692 0.4963 0.1840 ( 4572 PWs) bands (ev): -14.2766 -14.2765 -13.7470 -13.7466 -13.2763 -13.2761 -12.9992 -12.9987 -12.6473 -12.6463 -12.3449 -12.3440 -12.3249 -12.3235 -12.1511 -12.1509 -3.5264 -3.5256 -2.3064 -2.3051 -2.1987 -2.1971 -0.7628 -0.7601 -0.6547 -0.6532 -0.2405 -0.2365 0.0572 0.0574 0.4025 0.4046 1.1764 1.1788 1.3017 1.3027 1.5726 1.5751 2.0865 2.0947 2.5760 2.5853 2.8800 2.8808 2.9969 2.9995 3.5547 3.5561 3.9208 3.9219 4.0208 4.0233 4.2944 4.2959 4.3617 4.3643 4.7671 4.7711 4.9608 4.9646 5.5218 5.5250 5.6815 5.6830 10.6453 10.6472 11.0600 11.0631 12.7348 12.7386 12.7520 12.7520 14.1026 14.1039 14.7800 14.7882 k = 0.2821 0.4963 0.1840 ( 4578 PWs) bands (ev): -14.2502 -14.2500 -13.7230 -13.7226 -13.2733 -13.2731 -12.9968 -12.9962 -12.6544 -12.6533 -12.3726 -12.3715 -12.3557 -12.3543 -12.1567 -12.1565 -3.5512 -3.5504 -2.3127 -2.3114 -2.2012 -2.1997 -0.7403 -0.7375 -0.6230 -0.6213 -0.2438 -0.2397 0.0456 0.0457 0.4137 0.4159 1.1783 1.1807 1.2908 1.2917 1.5397 1.5423 2.0889 2.0969 2.6009 2.6099 2.8762 2.8768 3.0156 3.0184 3.5607 3.5619 3.9295 3.9303 4.0339 4.0364 4.2804 4.2822 4.3675 4.3700 4.7965 4.8001 4.9553 4.9592 5.5161 5.5191 5.6809 5.6824 10.6622 10.6641 11.0810 11.0842 12.7150 12.7185 12.7344 12.7347 14.0636 14.0648 14.7726 14.7806 k = 0.2949 0.4963 0.1840 ( 4580 PWs) bands (ev): -14.2230 -14.2228 -13.6983 -13.6979 -13.2709 -13.2706 -12.9943 -12.9936 -12.6627 -12.6614 -12.3999 -12.3987 -12.3872 -12.3857 -12.1613 -12.1612 -3.5745 -3.5737 -2.3198 -2.3185 -2.2042 -2.2028 -0.7196 -0.7167 -0.5921 -0.5902 -0.2449 -0.2407 0.0327 0.0328 0.4261 0.4284 1.1817 1.1843 1.2802 1.2811 1.5099 1.5125 2.0907 2.0984 2.6264 2.6350 2.8671 2.8677 3.0359 3.0387 3.5655 3.5665 3.9368 3.9373 4.0467 4.0493 4.2677 4.2699 4.3740 4.3763 4.8248 4.8279 4.9481 4.9520 5.5126 5.5155 5.6800 5.6815 10.6789 10.6809 11.1018 11.1050 12.6951 12.6981 12.7178 12.7184 14.0261 14.0272 14.7659 14.7736 k = 0.3077 0.4963 0.1840 ( 4576 PWs) bands (ev): -14.1952 -14.1950 -13.6731 -13.6727 -13.2690 -13.2687 -12.9917 -12.9910 -12.6724 -12.6710 -12.4262 -12.4249 -12.4191 -12.4176 -12.1654 -12.1653 -3.5962 -3.5955 -2.3275 -2.3262 -2.2077 -2.2063 -0.7011 -0.6982 -0.5621 -0.5601 -0.2436 -0.2395 0.0187 0.0190 0.4395 0.4418 1.1867 1.1893 1.2701 1.2708 1.4834 1.4861 2.0919 2.0993 2.6522 2.6602 2.8527 2.8532 3.0576 3.0605 3.5695 3.5703 3.9423 3.9424 4.0595 4.0621 4.2566 4.2591 4.3813 4.3835 4.8511 4.8538 4.9392 4.9432 5.5114 5.5142 5.6788 5.6803 10.6954 10.6974 11.1223 11.1255 12.6751 12.6778 12.7023 12.7030 13.9903 13.9913 14.7600 14.7674 k = 0.3205 0.4963 0.1840 ( 4580 PWs) bands (ev): -14.1669 -14.1668 -13.6474 -13.6470 -13.2678 -13.2674 -12.9891 -12.9884 -12.6836 -12.6822 -12.4518 -12.4516 -12.4493 -12.4492 -12.1689 -12.1688 -3.6165 -3.6158 -2.3355 -2.3343 -2.2116 -2.2103 -0.6850 -0.6822 -0.5331 -0.5309 -0.2400 -0.2361 0.0037 0.0042 0.4535 0.4558 1.1930 1.1957 1.2603 1.2609 1.4606 1.4634 2.0927 2.0998 2.6778 2.6852 2.8329 2.8332 3.0807 3.0837 3.5732 3.5737 3.9455 3.9458 4.0722 4.0747 4.2473 4.2504 4.3897 4.3917 4.8749 4.8771 4.9287 4.9328 5.5127 5.5153 5.6773 5.6787 10.7115 10.7135 11.1422 11.1454 12.6552 12.6576 12.6878 12.6888 13.9563 13.9572 14.7548 14.7618 k = 0.3333 0.4963 0.1840 ( 4578 PWs) bands (ev): -14.1383 -14.1381 -13.6214 -13.6210 -13.2674 -13.2670 -12.9864 -12.9856 -12.6966 -12.6951 -12.4843 -12.4829 -12.4731 -12.4717 -12.1720 -12.1720 -3.6353 -3.6347 -2.3437 -2.3425 -2.2158 -2.2145 -0.6716 -0.6688 -0.5051 -0.5028 -0.2343 -0.2305 -0.0119 -0.0112 0.4678 0.4701 1.2004 1.2031 1.2509 1.2515 1.4419 1.4448 2.0933 2.0999 2.7029 2.7096 2.8078 2.8079 3.1050 3.1081 3.5767 3.5771 3.9464 3.9471 4.0848 4.0871 4.2404 4.2438 4.3991 4.4009 4.8955 4.8971 4.9167 4.9210 5.5164 5.5188 5.6755 5.6770 10.7272 10.7291 11.1616 11.1648 12.6357 12.6378 12.6745 12.6756 13.9244 13.9252 14.7503 14.7570 k = 0.3462 0.4963 0.1840 ( 4582 PWs) bands (ev): -14.1095 -14.1093 -13.5952 -13.5948 -13.2679 -13.2675 -12.9836 -12.9827 -12.7112 -12.7096 -12.5170 -12.5155 -12.4930 -12.4916 -12.1748 -12.1747 -3.6526 -3.6520 -2.3518 -2.3508 -2.2201 -2.2189 -0.6607 -0.6581 -0.4783 -0.4759 -0.2267 -0.2233 -0.0280 -0.0271 0.4822 0.4845 1.2082 1.2108 1.2421 1.2425 1.4279 1.4308 2.0936 2.0998 2.7272 2.7328 2.7778 2.7781 3.1304 3.1335 3.5803 3.5806 3.9450 3.9460 4.0971 4.0993 4.2358 4.2396 4.4093 4.4110 4.9026 4.9060 4.9134 4.9156 5.5223 5.5244 5.6736 5.6750 10.7423 10.7442 11.1802 11.1833 12.6168 12.6186 12.6623 12.6635 13.8946 13.8954 14.7465 14.7528 k = 0.3590 0.4963 0.1840 ( 4586 PWs) bands (ev): -14.0807 -14.0805 -13.5690 -13.5686 -13.2694 -13.2691 -12.9806 -12.9797 -12.7271 -12.7256 -12.5497 -12.5482 -12.5103 -12.5089 -12.1772 -12.1772 -3.6684 -3.6678 -2.3599 -2.3589 -2.2245 -2.2234 -0.6523 -0.6499 -0.4526 -0.4501 -0.2179 -0.2147 -0.0443 -0.0432 0.4964 0.4985 1.2156 1.2177 1.2340 1.2341 1.4195 1.4223 2.0938 2.0995 2.7401 2.7423 2.7514 2.7590 3.1565 3.1597 3.5842 3.5844 3.9413 3.9427 4.1090 4.1111 4.2337 4.2379 4.4203 4.4217 4.8880 4.8919 4.9273 4.9285 5.5301 5.5319 5.6716 5.6729 10.7567 10.7585 11.1978 11.2008 12.5985 12.6001 12.6513 12.6525 13.8671 13.8678 14.7433 14.7492 k = 0.3718 0.4963 0.1840 ( 4576 PWs) bands (ev): -14.0521 -14.0519 -13.5430 -13.5426 -13.2721 -13.2717 -12.9775 -12.9766 -12.7440 -12.7426 -12.5821 -12.5806 -12.5249 -12.5235 -12.1794 -12.1794 -3.6827 -3.6823 -2.3676 -2.3667 -2.2288 -2.2278 -0.6460 -0.6439 -0.4281 -0.4255 -0.2081 -0.2053 -0.0608 -0.0595 0.5100 0.5120 1.2211 1.2212 1.2266 1.2288 1.4173 1.4199 2.0939 2.0992 2.7040 2.7048 2.7728 2.7784 3.1831 3.1864 3.5883 3.5884 3.9356 3.9372 4.1204 4.1223 4.2341 4.2385 4.4317 4.4329 4.8722 4.8761 4.9382 4.9391 5.5394 5.5410 5.6695 5.6708 10.7703 10.7720 11.2145 11.2173 12.5812 12.5826 12.6413 12.6426 13.8419 13.8425 14.7407 14.7462 k = 0.3846 0.4963 0.1840 ( 4574 PWs) bands (ev): -14.0240 -14.0238 -13.5174 -13.5171 -13.2759 -13.2755 -12.9742 -12.9732 -12.7614 -12.7600 -12.6141 -12.6125 -12.5370 -12.5357 -12.1814 -12.1814 -3.6957 -3.6952 -2.3750 -2.3741 -2.2330 -2.2321 -0.6415 -0.6396 -0.4047 -0.4020 -0.1981 -0.1955 -0.0772 -0.0757 0.5229 0.5248 1.2166 1.2179 1.2267 1.2298 1.4218 1.4241 2.0939 2.0988 2.6633 2.6639 2.7932 2.7980 3.2098 3.2130 3.5926 3.5926 3.9281 3.9300 4.1312 4.1329 4.2366 4.2411 4.4433 4.4443 4.8555 4.8594 4.9463 4.9468 5.5497 5.5511 5.6674 5.6686 10.7830 10.7846 11.2299 11.2326 12.5650 12.5662 12.6324 12.6337 13.8191 13.8197 14.7387 14.7437 k = 0.3974 0.4963 0.1840 ( 4576 PWs) bands (ev): -13.9967 -13.9966 -13.4926 -13.4923 -13.2808 -13.2804 -12.9706 -12.9695 -12.7784 -12.7772 -12.6453 -12.6437 -12.5469 -12.5458 -12.1831 -12.1831 -3.7072 -3.7068 -2.3818 -2.3811 -2.2370 -2.2361 -0.6385 -0.6368 -0.3825 -0.3797 -0.1881 -0.1859 -0.0935 -0.0918 0.5349 0.5366 1.2104 1.2114 1.2282 1.2307 1.4328 1.4347 2.0940 2.0983 2.6208 2.6213 2.8119 2.8161 3.2362 3.2393 3.5968 3.5968 3.9194 3.9214 4.1411 4.1426 4.2409 4.2454 4.4547 4.4556 4.8384 4.8422 4.9520 4.9522 5.5606 5.5617 5.6654 5.6665 10.7946 10.7961 11.2441 11.2466 12.5501 12.5510 12.6246 12.6258 13.7988 13.7993 14.7371 14.7417 k = 0.4103 0.4963 0.1840 ( 4578 PWs) bands (ev): -13.9707 -13.9705 -13.4689 -13.4686 -13.2867 -13.2863 -12.9666 -12.9655 -12.7947 -12.7935 -12.6754 -12.6738 -12.5551 -12.5541 -12.1846 -12.1846 -3.7173 -3.7170 -2.3881 -2.3874 -2.2407 -2.2399 -0.6366 -0.6352 -0.3615 -0.3587 -0.1786 -0.1768 -0.1095 -0.1077 0.5458 0.5473 1.2046 1.2054 1.2279 1.2298 1.4492 1.4507 2.0941 2.0979 2.5776 2.5780 2.8288 2.8324 3.2616 3.2646 3.6010 3.6010 3.9099 3.9119 4.1501 4.1514 4.2467 4.2510 4.4658 4.4665 4.8212 4.8249 4.9555 4.9556 5.5714 5.5724 5.6635 5.6645 10.8052 10.8066 11.2569 11.2592 12.5365 12.5373 12.6177 12.6189 13.7808 13.7813 14.7360 14.7400 k = 0.4231 0.4963 0.1840 ( 4570 PWs) bands (ev): -13.9463 -13.9462 -13.4467 -13.4465 -13.2934 -13.2931 -12.9622 -12.9610 -12.8095 -12.8085 -12.7042 -12.7026 -12.5616 -12.5608 -12.1859 -12.1859 -3.7260 -3.7257 -2.3936 -2.3930 -2.2440 -2.2434 -0.6355 -0.6343 -0.3415 -0.3387 -0.1700 -0.1685 -0.1252 -0.1233 0.5554 0.5568 1.1994 1.2000 1.2262 1.2277 1.4694 1.4706 2.0942 2.0975 2.5351 2.5354 2.8437 2.8467 3.2857 3.2884 3.6049 3.6049 3.9002 3.9021 4.1581 4.1592 4.2533 4.2574 4.4763 4.4768 4.8046 4.8080 4.9574 4.9575 5.5818 5.5826 5.6618 5.6627 10.8146 10.8158 11.2682 11.2702 12.5245 12.5251 12.6119 12.6129 13.7654 13.7658 14.7353 14.7388 k = 0.4359 0.4963 0.1840 ( 4572 PWs) bands (ev): -13.9241 -13.9240 -13.4265 -13.4263 -13.3005 -13.3002 -12.9574 -12.9562 -12.8225 -12.8217 -12.7310 -12.7295 -12.5668 -12.5661 -12.1870 -12.1870 -3.7334 -3.7331 -2.3984 -2.3979 -2.2469 -2.2464 -0.6349 -0.6340 -0.3228 -0.3200 -0.1625 -0.1613 -0.1404 -0.1384 0.5638 0.5649 1.1949 1.1955 1.2239 1.2250 1.4916 1.4924 2.0943 2.0971 2.4946 2.4949 2.8565 2.8590 3.3076 3.3100 3.6084 3.6084 3.8907 3.8925 4.1650 4.1659 4.2604 4.2641 4.4857 4.4861 4.7890 4.7921 4.9582 4.9583 5.5913 5.5920 5.6603 5.6611 10.8227 10.8237 11.2780 11.2797 12.5141 12.5146 12.6070 12.6079 13.7524 13.7527 14.7348 14.7377 k = 0.4487 0.4963 0.1840 ( 4574 PWs) bands (ev): -13.9047 -13.9045 -13.4088 -13.4087 -13.3075 -13.3073 -12.9522 -12.9511 -12.8335 -12.8328 -12.7553 -12.7539 -12.5709 -12.5703 -12.1878 -12.1878 -3.7394 -3.7392 -2.4024 -2.4020 -2.2493 -2.2489 -0.6347 -0.6340 -0.3053 -0.3026 -0.1565 -0.1564 -0.1539 -0.1528 0.5707 0.5716 1.1912 1.1917 1.2214 1.2222 1.5137 1.5144 2.0944 2.0967 2.4578 2.4580 2.8672 2.8691 3.3268 3.3289 3.6114 3.6115 3.8820 3.8836 4.1707 4.1715 4.2673 4.2705 4.4939 4.4941 4.7750 4.7777 4.9582 4.9583 5.5996 5.6001 5.6591 5.6597 10.8294 10.8302 11.2861 11.2875 12.5055 12.5059 12.6030 12.6038 13.7418 13.7420 14.7346 14.7369 k = 0.4615 0.4963 0.1840 ( 4572 PWs) bands (ev): -13.8886 -13.8885 -13.3943 -13.3942 -13.3139 -13.3137 -12.9469 -12.9458 -12.8421 -12.8416 -12.7762 -12.7750 -12.5739 -12.5735 -12.1885 -12.1885 -3.7440 -3.7439 -2.4056 -2.4053 -2.2513 -2.2510 -0.6348 -0.6342 -0.2892 -0.2867 -0.1691 -0.1670 -0.1510 -0.1503 0.5761 0.5768 1.1884 1.1887 1.2192 1.2198 1.5339 1.5344 2.0946 2.0963 2.4264 2.4266 2.8756 2.8770 3.3427 3.3443 3.6139 3.6139 3.8747 3.8759 4.1753 4.1759 4.2736 4.2762 4.5005 4.5007 4.7633 4.7654 4.9578 4.9579 5.6063 5.6067 5.6581 5.6586 10.8347 10.8354 11.2925 11.2936 12.4987 12.4990 12.6000 12.6006 13.7336 13.7338 14.7345 14.7363 k = 0.4744 0.4963 0.1840 ( 4568 PWs) bands (ev): -13.8766 -13.8765 -13.3834 -13.3833 -13.3190 -13.3189 -12.9418 -12.9410 -12.8482 -12.8479 -12.7928 -12.7918 -12.5760 -12.5757 -12.1890 -12.1890 -3.7474 -3.7472 -2.4078 -2.4076 -2.2527 -2.2525 -0.6348 -0.6345 -0.2752 -0.2731 -0.1812 -0.1794 -0.1474 -0.1469 0.5801 0.5806 1.1863 1.1865 1.2174 1.2178 1.5502 1.5505 2.0948 2.0959 2.4022 2.4024 2.8817 2.8826 3.3546 3.3557 3.6157 3.6157 3.8691 3.8699 4.1786 4.1790 4.2787 4.2805 4.5054 4.5055 4.7546 4.7561 4.9573 4.9574 5.6113 5.6116 5.6575 5.6578 10.8386 10.8390 11.2972 11.2979 12.4938 12.4940 12.5979 12.5983 13.7278 13.7279 14.7346 14.7358 k = 0.4872 0.4963 0.1840 ( 4560 PWs) bands (ev): -13.8691 -13.8691 -13.3766 -13.3766 -13.3224 -13.3223 -12.9380 -12.9376 -12.8519 -12.8518 -12.8035 -12.8029 -12.5772 -12.5771 -12.1893 -12.1893 -3.7493 -3.7493 -2.4092 -2.4091 -2.2535 -2.2534 -0.6349 -0.6347 -0.2646 -0.2633 -0.1902 -0.1890 -0.1452 -0.1449 0.5825 0.5828 1.1851 1.1852 1.2164 1.2166 1.5608 1.5610 2.0951 2.0956 2.3870 2.3870 2.8855 2.8860 3.3621 3.3627 3.6168 3.6168 3.8657 3.8661 4.1806 4.1808 4.2822 4.2831 4.5085 4.5085 4.7492 4.7500 4.9570 4.9570 5.6144 5.6145 5.6571 5.6573 10.8410 10.8412 11.3001 11.3005 12.4909 12.4910 12.5967 12.5969 13.7243 13.7244 14.7348 14.7354 k = 0.5000 0.4963 0.1840 ( 4556 PWs) bands (ev): -13.8666 -13.8666 -13.3743 -13.3743 -13.3235 -13.3235 -12.9364 -12.9364 -12.8531 -12.8531 -12.8070 -12.8070 -12.5775 -12.5775 -12.1894 -12.1894 -3.7500 -3.7500 -2.4096 -2.4096 -2.2537 -2.2537 -0.6348 -0.6348 -0.2599 -0.2599 -0.1933 -0.1933 -0.1443 -0.1443 0.5834 0.5834 1.1847 1.1847 1.2161 1.2161 1.5646 1.5646 2.0953 2.0953 2.3817 2.3817 2.8869 2.8869 3.3649 3.3649 3.6172 3.6172 3.8646 3.8646 4.1814 4.1814 4.2837 4.2837 4.5095 4.5095 4.7477 4.7477 4.9569 4.9569 5.6154 5.6154 5.6570 5.6570 10.8419 10.8419 11.3012 11.3012 12.4899 12.4899 12.5963 12.5963 13.7232 13.7232 14.7351 14.7351 k = 0.5000 0.4963 0.1840 ( 4556 PWs) bands (ev): -13.8666 -13.8666 -13.3743 -13.3743 -13.3235 -13.3235 -12.9364 -12.9364 -12.8531 -12.8531 -12.8070 -12.8070 -12.5775 -12.5775 -12.1894 -12.1894 -3.7500 -3.7500 -2.4096 -2.4096 -2.2537 -2.2537 -0.6348 -0.6348 -0.2599 -0.2599 -0.1933 -0.1933 -0.1443 -0.1443 0.5834 0.5834 1.1847 1.1847 1.2161 1.2161 1.5646 1.5646 2.0953 2.0953 2.3817 2.3817 2.8869 2.8869 3.3649 3.3649 3.6172 3.6172 3.8646 3.8646 4.1814 4.1814 4.2837 4.2837 4.5095 4.5095 4.7477 4.7477 4.9569 4.9569 5.6154 5.6154 5.6570 5.6570 10.8419 10.8419 11.3012 11.3012 12.4899 12.4899 12.5963 12.5963 13.7232 13.7232 14.7351 14.7351 k = 0.5000 0.5004 0.1729 ( 4558 PWs) bands (ev): -13.8662 -13.8662 -13.3822 -13.3821 -13.3168 -13.3166 -12.9365 -12.9364 -12.8521 -12.8521 -12.8069 -12.8068 -12.5776 -12.5775 -12.1898 -12.1898 -3.7495 -3.7495 -2.4163 -2.4157 -2.2472 -2.2466 -0.6369 -0.6367 -0.2639 -0.2632 -0.1953 -0.1945 -0.1386 -0.1372 0.5828 0.5829 1.1848 1.1853 1.2164 1.2165 1.5649 1.5657 2.0952 2.0956 2.3811 2.3814 2.8861 2.8865 3.3639 3.3644 3.6181 3.6185 3.8644 3.8646 4.1810 4.1814 4.2835 4.2836 4.5098 4.5099 4.7478 4.7481 4.9560 4.9565 5.6082 5.6134 5.6595 5.6644 10.8387 10.8391 11.3048 11.3054 12.4773 12.4801 12.6056 12.6082 13.7210 13.7210 14.7361 14.7363 k = 0.5000 0.5045 0.1618 ( 4564 PWs) bands (ev): -13.8651 -13.8650 -13.3994 -13.3993 -13.3029 -13.3026 -12.9365 -12.9363 -12.8490 -12.8490 -12.8064 -12.8063 -12.5778 -12.5776 -12.1911 -12.1911 -3.7480 -3.7480 -2.4332 -2.4322 -2.2295 -2.2285 -0.6430 -0.6426 -0.2742 -0.2730 -0.1976 -0.1965 -0.1235 -0.1213 0.5811 0.5813 1.1854 1.1864 1.2174 1.2175 1.5665 1.5681 2.0951 2.0960 2.3793 2.3799 2.8840 2.8849 3.3616 3.3626 3.6212 3.6219 3.8638 3.8642 4.1804 4.1812 4.2829 4.2832 4.5108 4.5111 4.7485 4.7491 4.9541 4.9551 5.5968 5.6041 5.6698 5.6765 10.8298 10.8306 11.3158 11.3170 12.4507 12.4548 12.6292 12.6328 13.7145 13.7145 14.7394 14.7399 k = 0.5000 0.5086 0.1507 ( 4570 PWs) bands (ev): -13.8632 -13.8631 -13.4201 -13.4200 -13.2875 -13.2873 -12.9365 -12.9362 -12.8440 -12.8440 -12.8055 -12.8054 -12.5781 -12.5777 -12.1932 -12.1932 -3.7455 -3.7455 -2.4559 -2.4547 -2.2050 -2.2038 -0.6527 -0.6522 -0.2886 -0.2871 -0.1980 -0.1967 -0.1036 -0.1012 0.5782 0.5785 1.1866 1.1881 1.2191 1.2193 1.5695 1.5719 2.0952 2.0965 2.3765 2.3774 2.8809 2.8822 3.3580 3.3595 3.6261 3.6271 3.8630 3.8637 4.1795 4.1807 4.2820 4.2825 4.5126 4.5130 4.7497 4.7506 4.9511 4.9526 5.5842 5.5924 5.6831 5.6904 10.8162 10.8173 11.3335 11.3352 12.4184 12.4230 12.6580 12.6620 13.7038 13.7039 14.7448 14.7455 k = 0.5000 0.5127 0.1396 ( 4570 PWs) bands (ev): -13.8605 -13.8604 -13.4425 -13.4423 -13.2726 -13.2723 -12.9365 -12.9361 -12.8372 -12.8371 -12.8042 -12.8041 -12.5784 -12.5779 -12.1962 -12.1961 -3.7421 -3.7420 -2.4815 -2.4802 -2.1767 -2.1754 -0.6656 -0.6650 -0.3052 -0.3034 -0.1968 -0.1954 -0.0815 -0.0789 0.5742 0.5746 1.1884 1.1902 1.2215 1.2217 1.5739 1.5771 2.0954 2.0972 2.3728 2.3739 2.8766 2.8783 3.3535 3.3554 3.6326 3.6339 3.8619 3.8628 4.1783 4.1800 4.2807 4.2814 4.5151 4.5156 4.7514 4.7526 4.9471 4.9490 5.5716 5.5802 5.6974 5.7048 10.7990 10.8003 11.3567 11.3588 12.3834 12.3883 12.6886 12.6927 13.6893 13.6894 14.7522 14.7531 k = 0.5000 0.5168 0.1285 ( 4564 PWs) bands (ev): -13.8571 -13.8569 -13.4658 -13.4657 -13.2587 -13.2585 -12.9364 -12.9359 -12.8285 -12.8284 -12.8026 -12.8024 -12.5788 -12.5782 -12.1999 -12.1998 -3.7377 -3.7376 -2.5084 -2.5071 -2.1463 -2.1450 -0.6814 -0.6806 -0.3225 -0.3207 -0.1947 -0.1932 -0.0583 -0.0556 0.5691 0.5697 1.1907 1.1928 1.2245 1.2249 1.5797 1.5836 2.0957 2.0979 2.3681 2.3694 2.8713 2.8734 3.3481 3.3505 3.6401 3.6418 3.8607 3.8619 4.1769 4.1790 4.2792 4.2801 4.5182 4.5189 4.7537 4.7552 4.9420 4.9444 5.5594 5.5682 5.7120 5.7194 10.7792 10.7806 11.3842 11.3867 12.3469 12.3519 12.7197 12.7238 13.6711 13.6713 14.7612 14.7623 k = 0.5000 0.5209 0.1174 ( 4562 PWs) bands (ev): -13.8529 -13.8527 -13.4898 -13.4897 -13.2462 -13.2459 -12.9362 -12.9356 -12.8184 -12.8182 -12.8005 -12.8002 -12.5792 -12.5785 -12.2044 -12.2043 -3.7323 -3.7322 -2.5359 -2.5346 -2.1146 -2.1132 -0.6993 -0.6985 -0.3399 -0.3380 -0.1924 -0.1908 -0.0347 -0.0320 0.5630 0.5637 1.1933 1.1957 1.2283 1.2290 1.5868 1.5914 2.0963 2.0988 2.3625 2.3641 2.8652 2.8676 3.3422 3.3450 3.6484 3.6504 3.8594 3.8609 4.1753 4.1779 4.2773 4.2785 4.5220 4.5228 4.7565 4.7583 4.9361 4.9389 5.5478 5.5567 5.7266 5.7338 10.7578 10.7593 11.4152 11.4179 12.3094 12.3146 12.7508 12.7549 13.6497 13.6499 14.7715 14.7729 k = 0.5000 0.5250 0.1063 ( 4562 PWs) bands (ev): -13.8480 -13.8478 -13.5143 -13.5142 -13.2350 -13.2348 -12.9359 -12.9351 -12.8075 -12.8068 -12.7976 -12.7969 -12.5797 -12.5789 -12.2096 -12.2095 -3.7259 -3.7258 -2.5636 -2.5623 -2.0820 -2.0806 -0.7190 -0.7182 -0.3568 -0.3549 -0.1903 -0.1886 -0.0112 -0.0085 0.5560 0.5567 1.1962 1.1988 1.2327 1.2339 1.5952 1.6005 2.0971 2.1000 2.3562 2.3580 2.8583 2.8609 3.3359 3.3391 3.6568 3.6591 3.8581 3.8599 4.1736 4.1765 4.2752 4.2767 4.5263 4.5273 4.7597 4.7619 4.9292 4.9325 5.5369 5.5458 5.7409 5.7480 10.7356 10.7372 11.4488 11.4517 12.2713 12.2766 12.7817 12.7856 13.6254 13.6257 14.7829 14.7846 k = 0.5000 0.5292 0.0952 ( 4560 PWs) bands (ev): -13.8424 -13.8421 -13.5390 -13.5389 -13.2253 -13.2251 -12.9355 -12.9346 -12.7986 -12.7973 -12.7912 -12.7898 -12.5802 -12.5793 -12.2156 -12.2155 -3.7187 -3.7185 -2.5912 -2.5899 -2.0488 -2.0475 -0.7401 -0.7392 -0.3731 -0.3712 -0.1887 -0.1870 0.0119 0.0147 0.5480 0.5489 1.1992 1.2019 1.2379 1.2396 1.6050 1.6109 2.0981 2.1013 2.3491 2.3511 2.8508 2.8536 3.3293 3.3329 3.6650 3.6676 3.8570 3.8590 4.1717 4.1751 4.2728 4.2745 4.5311 4.5323 4.7635 4.7659 4.9217 4.9253 5.5268 5.5357 5.7549 5.7618 10.7134 10.7149 11.4843 11.4874 12.2327 12.2381 12.8122 12.8161 13.5986 13.5989 14.7951 14.7970 k = 0.5000 0.5333 0.0841 ( 4558 PWs) bands (ev): -13.8360 -13.8358 -13.5639 -13.5638 -13.2171 -13.2168 -12.9349 -12.9340 -12.7938 -12.7929 -12.7781 -12.7772 -12.5807 -12.5796 -12.2222 -12.2220 -3.7105 -3.7103 -2.6185 -2.6173 -2.0154 -2.0141 -0.7620 -0.7612 -0.3885 -0.3867 -0.1880 -0.1862 0.0343 0.0371 0.5394 0.5402 1.2020 1.2049 1.2438 1.2462 1.6160 1.6225 2.0996 2.1030 2.3415 2.3437 2.8428 2.8457 3.3225 3.3265 3.6724 3.6755 3.8560 3.8584 4.1698 4.1736 4.2701 4.2722 4.5364 4.5378 4.7678 4.7704 4.9135 4.9175 5.5175 5.5264 5.7683 5.7750 10.6914 10.6930 11.5212 11.5244 12.1939 12.1994 12.8423 12.8461 13.5697 13.5701 14.8077 14.8099 k = 0.5000 0.5333 0.0841 ( 4558 PWs) bands (ev): -13.8360 -13.8358 -13.5639 -13.5638 -13.2171 -13.2168 -12.9349 -12.9340 -12.7938 -12.7929 -12.7781 -12.7772 -12.5807 -12.5796 -12.2222 -12.2220 -3.7105 -3.7103 -2.6185 -2.6173 -2.0154 -2.0141 -0.7620 -0.7612 -0.3885 -0.3867 -0.1880 -0.1862 0.0343 0.0371 0.5394 0.5402 1.2020 1.2049 1.2438 1.2462 1.6160 1.6225 2.0996 2.1030 2.3415 2.3437 2.8428 2.8457 3.3225 3.3265 3.6724 3.6755 3.8560 3.8584 4.1698 4.1736 4.2701 4.2722 4.5364 4.5378 4.7678 4.7704 4.9135 4.9175 5.5175 5.5264 5.7683 5.7750 10.6914 10.6930 11.5212 11.5244 12.1939 12.1994 12.8423 12.8461 13.5697 13.5701 14.8077 14.8099 k = 0.5000 0.5308 0.0719 ( 4556 PWs) bands (ev): -13.8289 -13.8287 -13.5766 -13.5765 -13.2132 -13.2129 -12.9292 -12.9283 -12.7937 -12.7934 -12.7687 -12.7683 -12.5859 -12.5849 -12.2311 -12.2310 -3.6992 -3.6990 -2.6559 -2.6547 -1.9729 -1.9716 -0.7900 -0.7892 -0.4017 -0.3999 -0.1805 -0.1786 0.0543 0.0570 0.5239 0.5248 1.2144 1.2181 1.2461 1.2467 1.6218 1.6284 2.1066 2.1105 2.3325 2.3347 2.8377 2.8405 3.3226 3.3263 3.6683 3.6711 3.8584 3.8607 4.1738 4.1773 4.2683 4.2705 4.5462 4.5478 4.7651 4.7675 4.9013 4.9055 5.5147 5.5232 5.7834 5.7896 10.6751 10.6766 11.5439 11.5472 12.1761 12.1815 12.8569 12.8606 13.5421 13.5425 14.8171 14.8192 k = 0.5000 0.5283 0.0596 ( 4558 PWs) bands (ev): -13.8219 -13.8216 -13.5890 -13.5889 -13.2101 -13.2098 -12.9227 -12.9218 -12.7946 -12.7944 -12.7578 -12.7574 -12.5914 -12.5904 -12.2410 -12.2408 -3.6864 -3.6862 -2.6929 -2.6918 -1.9303 -1.9290 -0.8188 -0.8180 -0.4146 -0.4129 -0.1738 -0.1719 0.0739 0.0765 0.5075 0.5084 1.2204 1.2263 1.2529 1.2566 1.6276 1.6342 2.1145 2.1190 2.3232 2.3256 2.8324 2.8350 3.3220 3.3255 3.6638 3.6664 3.8606 3.8630 4.1779 4.1811 4.2664 4.2686 4.5560 4.5578 4.7627 4.7648 4.8888 4.8932 5.5125 5.5205 5.7985 5.8043 10.6590 10.6604 11.5662 11.5696 12.1586 12.1639 12.8714 12.8750 13.5142 13.5146 14.8264 14.8284 k = 0.5000 0.5259 0.0473 ( 4560 PWs) bands (ev): -13.8149 -13.8146 -13.6011 -13.6011 -13.2079 -13.2076 -12.9157 -12.9147 -12.7954 -12.7953 -12.7461 -12.7457 -12.5969 -12.5960 -12.2517 -12.2515 -3.6721 -3.6720 -2.7295 -2.7284 -1.8878 -1.8865 -0.8481 -0.8473 -0.4273 -0.4257 -0.1683 -0.1664 0.0929 0.0954 0.4907 0.4916 1.2234 1.2300 1.2655 1.2704 1.6332 1.6399 2.1231 2.1283 2.3137 2.3165 2.8269 2.8294 3.3208 3.3241 3.6591 3.6615 3.8627 3.8650 4.1819 4.1848 4.2644 4.2665 4.5658 4.5678 4.7606 4.7625 4.8761 4.8806 5.5108 5.5183 5.8135 5.8188 10.6432 10.6445 11.5880 11.5914 12.1415 12.1468 12.8858 12.8892 13.4862 13.4866 14.8355 14.8374 k = 0.5000 0.5234 0.0351 ( 4562 PWs) bands (ev): -13.8079 -13.8076 -13.6129 -13.6128 -13.2064 -13.2061 -12.9082 -12.9073 -12.7960 -12.7958 -12.7337 -12.7333 -12.6026 -12.6017 -12.2632 -12.2630 -3.6567 -3.6565 -2.7654 -2.7644 -1.8455 -1.8442 -0.8777 -0.8770 -0.4397 -0.4381 -0.1641 -0.1622 0.1112 0.1135 0.4739 0.4748 1.2260 1.2327 1.2798 1.2850 1.6386 1.6452 2.1322 2.1381 2.3042 2.3075 2.8213 2.8236 3.3192 3.3222 3.6542 3.6564 3.8647 3.8669 4.1859 4.1886 4.2622 4.2644 4.5754 4.5777 4.7587 4.7604 4.8634 4.8679 5.5095 5.5165 5.8282 5.8331 10.6280 10.6292 11.6091 11.6126 12.1249 12.1301 12.9000 12.9033 13.4585 13.4588 14.8442 14.8459 k = 0.5000 0.5209 0.0228 ( 4568 PWs) bands (ev): -13.8009 -13.8007 -13.6244 -13.6243 -13.2054 -13.2051 -12.9008 -12.8998 -12.7961 -12.7960 -12.7209 -12.7204 -12.6083 -12.6074 -12.2752 -12.2750 -3.6402 -3.6400 -2.8004 -2.7995 -1.8037 -1.8024 -0.9074 -0.9067 -0.4515 -0.4501 -0.1612 -0.1594 0.1286 0.1307 0.4576 0.4585 1.2293 1.2358 1.2940 1.2992 1.6437 1.6502 2.1417 2.1483 2.2949 2.2988 2.8157 2.8179 3.3171 3.3199 3.6493 3.6513 3.8665 3.8686 4.1899 4.1923 4.2600 4.2621 4.5849 4.5873 4.7572 4.7586 4.8508 4.8554 5.5086 5.5150 5.8425 5.8468 10.6135 10.6146 11.6294 11.6329 12.1089 12.1139 12.9140 12.9172 13.4312 13.4316 14.8523 14.8540 k = 0.5000 0.5185 0.0105 ( 4564 PWs) bands (ev): -13.7940 -13.7937 -13.6354 -13.6354 -13.2048 -13.2045 -12.8935 -12.8925 -12.7959 -12.7957 -12.7078 -12.7072 -12.6139 -12.6131 -12.2878 -12.2876 -3.6229 -3.6228 -2.8344 -2.8335 -1.7626 -1.7613 -0.9369 -0.9363 -0.4628 -0.4614 -0.1596 -0.1579 0.1449 0.1469 0.4421 0.4430 1.2334 1.2397 1.3074 1.3125 1.6485 1.6548 2.1513 2.1586 2.2857 2.2903 2.8102 2.8122 3.3149 3.3174 3.6446 3.6464 3.8681 3.8701 4.1938 4.1960 4.2578 4.2598 4.5941 4.5966 4.7560 4.7572 4.8385 4.8431 5.5079 5.5137 5.8560 5.8599 10.5999 10.6008 11.6488 11.6523 12.0935 12.0984 12.9279 12.9310 13.4046 13.4051 14.8599 14.8614 k = 0.5000 0.5160-0.0017 ( 4572 PWs) bands (ev): -13.7870 -13.7868 -13.6461 -13.6460 -13.2046 -13.2043 -12.8866 -12.8857 -12.7951 -12.7950 -12.6945 -12.6939 -12.6195 -12.6187 -12.3006 -12.3004 -3.6051 -3.6050 -2.8670 -2.8662 -1.7224 -1.7211 -0.9662 -0.9657 -0.4734 -0.4721 -0.1591 -0.1576 0.1600 0.1618 0.4278 0.4286 1.2382 1.2441 1.3196 1.3245 1.6530 1.6590 2.1607 2.1688 2.2769 2.2823 2.8049 2.8067 3.3125 3.3147 3.6400 3.6416 3.8696 3.8714 4.1976 4.1995 4.2555 4.2574 4.6029 4.6055 4.7550 4.7560 4.8266 4.8312 5.5075 5.5126 5.8688 5.8722 10.5873 10.5881 11.6672 11.6706 12.0789 12.0835 12.9416 12.9444 13.3791 13.3796 14.8668 14.8682 k = 0.5000 0.5135-0.0140 ( 4568 PWs) bands (ev): -13.7801 -13.7799 -13.6564 -13.6563 -13.2045 -13.2043 -12.8804 -12.8795 -12.7939 -12.7937 -12.6814 -12.6807 -12.6248 -12.6241 -12.3134 -12.3132 -3.5872 -3.5871 -2.8979 -2.8972 -1.6835 -1.6823 -0.9949 -0.9945 -0.4831 -0.4819 -0.1596 -0.1582 0.1738 0.1754 0.4148 0.4156 1.2434 1.2490 1.3305 1.3352 1.6571 1.6626 2.1700 2.1787 2.2685 2.2747 2.7998 2.8014 3.3100 3.3120 3.6357 3.6371 3.8709 3.8726 4.2014 4.2030 4.2532 4.2550 4.6113 4.6140 4.7543 4.7552 4.8153 4.8197 5.5072 5.5117 5.8805 5.8835 10.5758 10.5766 11.6843 11.6876 12.0651 12.0694 12.9549 12.9576 13.3549 13.3555 14.8730 14.8743 k = 0.5000 0.5111-0.0263 ( 4566 PWs) bands (ev): -13.7732 -13.7730 -13.6663 -13.6662 -13.2047 -13.2045 -12.8749 -12.8742 -12.7922 -12.7921 -12.6687 -12.6680 -12.6297 -12.6290 -12.3260 -12.3258 -3.5696 -3.5695 -2.9267 -2.9261 -1.6464 -1.6453 -1.0227 -1.0224 -0.4919 -0.4908 -0.1608 -0.1596 0.1861 0.1875 0.4035 0.4042 1.2489 1.2540 1.3401 1.3443 1.6607 1.6657 2.1788 2.1882 2.2605 2.2676 2.7951 2.7965 3.3077 3.3094 3.6319 3.6331 3.8721 3.8735 4.2050 4.2064 4.2510 4.2526 4.6193 4.6219 4.7538 4.7547 4.8046 4.8089 5.5070 5.5109 5.8910 5.8936 10.5657 10.5663 11.7001 11.7032 12.0524 12.0564 12.9678 12.9702 13.3323 13.3330 14.8784 14.8795 k = 0.5000 0.5086-0.0385 ( 4566 PWs) bands (ev): -13.7664 -13.7662 -13.6757 -13.6756 -13.2049 -13.2047 -12.8703 -12.8697 -12.7903 -12.7901 -12.6572 -12.6564 -12.6337 -12.6331 -12.3379 -12.3378 -3.5529 -3.5528 -2.9528 -2.9523 -1.6117 -1.6107 -1.0493 -1.0489 -0.4995 -0.4987 -0.1624 -0.1614 0.1968 0.1979 0.3937 0.3943 1.2543 1.2589 1.3481 1.3519 1.6639 1.6683 2.1871 2.1970 2.2531 2.2611 2.7909 2.7920 3.3055 3.3069 3.6285 3.6295 3.8730 3.8743 4.2084 4.2096 4.2487 4.2503 4.6266 4.6291 4.7535 4.7547 4.7948 4.7989 5.5069 5.5102 5.9003 5.9023 10.5569 10.5574 11.7143 11.7171 12.0409 12.0445 12.9799 12.9821 13.3118 13.3124 14.8830 14.8839 k = 0.5000 0.5061-0.0508 ( 4564 PWs) bands (ev): -13.7597 -13.7595 -13.6846 -13.6844 -13.2051 -13.2050 -12.8666 -12.8661 -12.7882 -12.7880 -12.6487 -12.6477 -12.6353 -12.6348 -12.3489 -12.3487 -3.5376 -3.5375 -2.9757 -2.9753 -1.5803 -1.5794 -1.0737 -1.0734 -0.5060 -0.5053 -0.1642 -0.1634 0.2058 0.2067 0.3857 0.3862 1.2594 1.2632 1.3547 1.3580 1.6667 1.6703 2.1948 2.2052 2.2462 2.2550 2.7872 2.7882 3.3036 3.3048 3.6256 3.6264 3.8739 3.8749 4.2115 4.2125 4.2466 4.2480 4.6331 4.6354 4.7536 4.7550 4.7859 4.7897 5.5070 5.5096 5.9081 5.9097 10.5496 10.5500 11.7266 11.7291 12.0310 12.0341 12.9911 12.9929 13.2937 13.2943 14.8868 14.8876 k = 0.5000 0.5037-0.0630 ( 4556 PWs) bands (ev): -13.7532 -13.7530 -13.6927 -13.6926 -13.2053 -13.2052 -12.8638 -12.8635 -12.7861 -12.7860 -12.6467 -12.6459 -12.6310 -12.6308 -12.3582 -12.3581 -3.5246 -3.5245 -2.9947 -2.9944 -1.5533 -1.5526 -1.0951 -1.0948 -0.5111 -0.5106 -0.1658 -0.1652 0.2129 0.2137 0.3794 0.3798 1.2639 1.2669 1.3599 1.3624 1.6690 1.6718 2.2018 2.2126 2.2400 2.2494 2.7843 2.7851 3.3021 3.3029 3.6233 3.6239 3.8745 3.8753 4.2143 4.2151 4.2447 4.2458 4.6387 4.6406 4.7542 4.7559 4.7781 4.7816 5.5071 5.5090 5.9143 5.9155 10.5438 10.5441 11.7368 11.7388 12.0230 12.0254 13.0007 13.0022 13.2786 13.2791 14.8898 14.8903 k = 0.5000 0.5012-0.0753 ( 4556 PWs) bands (ev): -13.7472 -13.7471 -13.6998 -13.6997 -13.2055 -13.2054 -12.8619 -12.8616 -12.7845 -12.7843 -12.6479 -12.6475 -12.6248 -12.6247 -12.3655 -12.3654 -3.5145 -3.5145 -3.0090 -3.0087 -1.5322 -1.5317 -1.1120 -1.1119 -0.5148 -0.5145 -0.1671 -0.1667 0.2182 0.2187 0.3750 0.3752 1.2675 1.2695 1.3636 1.3654 1.6707 1.6727 2.2083 2.2187 2.2345 2.2440 2.7822 2.7827 3.3010 3.3016 3.6217 3.6221 3.8750 3.8755 4.2166 4.2172 4.2432 4.2440 4.6431 4.6445 4.7553 4.7572 4.7716 4.7748 5.5072 5.5085 5.9188 5.9196 10.5397 10.5399 11.7445 11.7459 12.0170 12.0187 13.0084 13.0094 13.2672 13.2676 14.8919 14.8923 k = 0.5000 0.4987-0.0876 ( 4562 PWs) bands (ev): -13.7427 -13.7426 -13.7050 -13.7050 -13.2056 -13.2055 -12.8607 -12.8606 -12.7833 -12.7833 -12.6491 -12.6489 -12.6204 -12.6204 -12.3701 -12.3701 -3.5081 -3.5081 -3.0178 -3.0177 -1.5185 -1.5183 -1.1231 -1.1230 -0.5171 -0.5169 -0.1680 -0.1678 0.2214 0.2217 0.3723 0.3724 1.2699 1.2710 1.3661 1.3670 1.6720 1.6730 2.2142 2.2221 2.2316 2.2390 2.7810 2.7812 3.3004 3.3006 3.6208 3.6210 3.8754 3.8756 4.2182 4.2185 4.2422 4.2427 4.6460 4.6467 4.7570 4.7587 4.7670 4.7693 5.5075 5.5081 5.9217 5.9221 10.5372 10.5373 11.7494 11.7501 12.0135 12.0144 13.0134 13.0139 13.2600 13.2602 14.8932 14.8934 k = 0.5000 0.4963-0.0998 ( 4560 PWs) bands (ev): -13.7408 -13.7408 -13.7071 -13.7071 -13.2056 -13.2056 -12.8603 -12.8603 -12.7829 -12.7829 -12.6495 -12.6495 -12.6189 -12.6189 -12.3717 -12.3717 -3.5059 -3.5059 -3.0208 -3.0208 -1.5137 -1.5137 -1.1269 -1.1269 -0.5178 -0.5178 -0.1682 -0.1682 0.2226 0.2226 0.3714 0.3714 1.2711 1.2711 1.3672 1.3672 1.6728 1.6728 2.2194 2.2194 2.2342 2.2342 2.7806 2.7806 3.3002 3.3002 3.6205 3.6205 3.8756 3.8756 4.2188 4.2188 4.2420 4.2420 4.6473 4.6473 4.7588 4.7588 4.7660 4.7660 5.5078 5.5078 5.9228 5.9228 10.5364 10.5364 11.7513 11.7513 12.0126 12.0126 13.0153 13.0153 13.2576 13.2576 14.8937 14.8937 k = 0.5000 0.4963-0.0998 ( 4560 PWs) bands (ev): -13.7408 -13.7408 -13.7071 -13.7071 -13.2056 -13.2056 -12.8603 -12.8603 -12.7829 -12.7829 -12.6495 -12.6495 -12.6189 -12.6189 -12.3717 -12.3717 -3.5059 -3.5059 -3.0208 -3.0208 -1.5137 -1.5137 -1.1269 -1.1269 -0.5178 -0.5178 -0.1682 -0.1682 0.2226 0.2226 0.3714 0.3714 1.2711 1.2711 1.3672 1.3672 1.6728 1.6728 2.2194 2.2194 2.2342 2.2342 2.7806 2.7806 3.3002 3.3002 3.6205 3.6205 3.8756 3.8756 4.2188 4.2188 4.2420 4.2420 4.6473 4.6473 4.7588 4.7588 4.7660 4.7660 5.5078 5.5078 5.9228 5.9228 10.5364 10.5364 11.7513 11.7513 12.0126 12.0126 13.0153 13.0153 13.2576 13.2576 14.8937 14.8937 k = 0.4872 0.4963-0.0998 ( 4556 PWs) bands (ev): -13.7418 -13.7418 -13.7109 -13.7108 -13.2018 -13.2018 -12.8654 -12.8647 -12.7792 -12.7787 -12.6491 -12.6491 -12.6169 -12.6167 -12.3717 -12.3717 -3.5052 -3.5051 -3.0205 -3.0204 -1.5136 -1.5133 -1.1264 -1.1264 -0.5181 -0.5181 -0.1695 -0.1693 0.2215 0.2215 0.3710 0.3711 1.2710 1.2712 1.3671 1.3672 1.6732 1.6736 2.2201 2.2204 2.2348 2.2349 2.7800 2.7801 3.2980 3.2985 3.6191 3.6194 3.8770 3.8777 4.2183 4.2188 4.2404 4.2410 4.6464 4.6467 4.7604 4.7612 4.7668 4.7669 5.5060 5.5061 5.9228 5.9229 10.5356 10.5358 11.7513 11.7517 12.0120 12.0121 13.0179 13.0179 13.2568 13.2572 14.8940 14.8943 k = 0.4744 0.4963-0.0998 ( 4554 PWs) bands (ev): -13.7448 -13.7448 -13.7218 -13.7217 -13.1908 -13.1907 -12.8776 -12.8765 -12.7700 -12.7692 -12.6481 -12.6481 -12.6107 -12.6103 -12.3718 -12.3718 -3.5028 -3.5025 -3.0195 -3.0194 -1.5129 -1.5123 -1.1249 -1.1248 -0.5192 -0.5191 -0.1734 -0.1730 0.2182 0.2184 0.3698 0.3699 1.2707 1.2713 1.3669 1.3672 1.6749 1.6757 2.2223 2.2231 2.2368 2.2370 2.7782 2.7784 3.2920 3.2929 3.6152 3.6158 3.8819 3.8832 4.2173 4.2182 4.2363 4.2374 4.6441 4.6447 4.7657 4.7669 4.7695 4.7699 5.5007 5.5011 5.9232 5.9234 10.5333 10.5339 11.7514 11.7523 12.0104 12.0105 13.0259 13.0259 13.2548 13.2555 14.8950 14.8956 k = 0.4615 0.4963-0.0998 ( 4554 PWs) bands (ev): -13.7498 -13.7498 -13.7391 -13.7389 -13.1735 -13.1733 -12.8933 -12.8920 -12.7590 -12.7581 -12.6463 -12.6463 -12.6002 -12.5997 -12.3719 -12.3719 -3.4988 -3.4984 -3.0178 -3.0177 -1.5118 -1.5108 -1.1224 -1.1223 -0.5211 -0.5209 -0.1797 -0.1792 0.2129 0.2131 0.3679 0.3681 1.2705 1.2713 1.3666 1.3672 1.6779 1.6790 2.2262 2.2273 2.2400 2.2403 2.7753 2.7756 3.2825 3.2839 3.6089 3.6098 3.8897 3.8917 4.2159 4.2172 4.2297 4.2314 4.6409 4.6416 4.7724 4.7725 4.7757 4.7778 5.4921 5.4926 5.9238 5.9241 10.5297 10.5305 11.7518 11.7531 12.0078 12.0080 13.0390 13.0390 13.2515 13.2526 14.8967 14.8977 k = 0.4487 0.4963-0.0998 ( 4558 PWs) bands (ev): -13.7613 -13.7611 -13.7567 -13.7567 -13.1514 -13.1511 -12.9103 -12.9090 -12.7482 -12.7475 -12.6437 -12.6437 -12.5856 -12.5849 -12.3721 -12.3721 -3.4932 -3.4926 -3.0155 -3.0153 -1.5100 -1.5088 -1.1189 -1.1188 -0.5238 -0.5235 -0.1887 -0.1879 0.2057 0.2060 0.3655 0.3657 1.2703 1.2713 1.3664 1.3671 1.6820 1.6835 2.2313 2.2329 2.2443 2.2448 2.7714 2.7719 3.2702 3.2719 3.6004 3.6014 3.8999 3.9023 4.2141 4.2156 4.2212 4.2231 4.6370 4.6377 4.7781 4.7782 4.7868 4.7897 5.4803 5.4810 5.9247 5.9251 10.5246 10.5257 11.7524 11.7541 12.0045 12.0047 13.0571 13.0571 13.2472 13.2486 14.8989 14.9003 k = 0.4359 0.4963-0.0998 ( 4564 PWs) bands (ev): -13.7873 -13.7871 -13.7653 -13.7653 -13.1256 -13.1253 -12.9278 -12.9264 -12.7387 -12.7380 -12.6401 -12.6401 -12.5671 -12.5663 -12.3723 -12.3722 -3.4859 -3.4853 -3.0125 -3.0123 -1.5079 -1.5063 -1.1145 -1.1144 -0.5274 -0.5271 -0.2001 -0.1992 0.1968 0.1971 0.3626 0.3629 1.2702 1.2715 1.3662 1.3671 1.6872 1.6890 2.2376 2.2396 2.2498 2.2503 2.7667 2.7673 3.2558 3.2578 3.5897 3.5910 3.9115 3.9144 4.2097 4.2114 4.2136 4.2149 4.6328 4.6335 4.7849 4.7851 4.8004 4.8037 5.4656 5.4665 5.9259 5.9263 10.5182 10.5194 11.7532 11.7552 12.0007 12.0009 13.0800 13.0800 13.2419 13.2436 14.9016 14.9033 k = 0.4231 0.4963-0.0998 ( 4564 PWs) bands (ev): -13.8161 -13.8158 -13.7756 -13.7756 -13.0975 -13.0972 -12.9452 -12.9438 -12.7304 -12.7298 -12.6355 -12.6355 -12.5453 -12.5444 -12.3724 -12.3724 -3.4770 -3.4762 -3.0090 -3.0087 -1.5052 -1.5033 -1.1092 -1.1091 -0.5322 -0.5318 -0.2141 -0.2130 0.1863 0.1867 0.3597 0.3601 1.2703 1.2718 1.3661 1.3672 1.6934 1.6956 2.2446 2.2471 2.2563 2.2568 2.7614 2.7622 3.2399 3.2420 3.5770 3.5785 3.9238 3.9270 4.1975 4.2004 4.2106 4.2131 4.6283 4.6290 4.7929 4.7930 4.8155 4.8191 5.4482 5.4493 5.9272 5.9277 10.5103 10.5118 11.7541 11.7565 11.9966 11.9969 13.1074 13.1075 13.2357 13.2377 14.9044 14.9065 k = 0.4103 0.4963-0.0998 ( 4566 PWs) bands (ev): -13.8467 -13.8464 -13.7875 -13.7875 -13.0681 -13.0678 -12.9623 -12.9608 -12.7233 -12.7228 -12.6296 -12.6296 -12.5208 -12.5198 -12.3725 -12.3725 -3.4665 -3.4656 -3.0048 -3.0045 -1.5021 -1.4999 -1.1031 -1.1030 -0.5384 -0.5379 -0.2306 -0.2293 0.1747 0.1751 0.3568 0.3572 1.2707 1.2723 1.3661 1.3674 1.7005 1.7030 2.2521 2.2550 2.2636 2.2642 2.7557 2.7566 3.2232 3.2254 3.5627 3.5643 3.9359 3.9393 4.1836 4.1868 4.2088 4.2116 4.6237 4.6243 4.8017 4.8017 4.8316 4.8354 5.4285 5.4299 5.9289 5.9294 10.5010 10.5027 11.7550 11.7578 11.9926 11.9930 13.1391 13.1392 13.2289 13.2312 14.9073 14.9097 k = 0.3974 0.4963-0.0998 ( 4570 PWs) bands (ev): -13.8786 -13.8783 -13.8006 -13.8006 -13.0385 -13.0382 -12.9788 -12.9774 -12.7171 -12.7166 -12.6222 -12.6222 -12.4942 -12.4931 -12.3726 -12.3725 -3.4543 -3.4533 -3.0002 -2.9998 -1.4986 -1.4962 -1.0963 -1.0962 -0.5460 -0.5454 -0.2496 -0.2481 0.1622 0.1626 0.3543 0.3547 1.2714 1.2732 1.3664 1.3679 1.7085 1.7113 2.2596 2.2629 2.2714 2.2721 2.7500 2.7511 3.2062 3.2084 3.5469 3.5486 3.9471 3.9505 4.1684 4.1718 4.2075 4.2105 4.6190 4.6196 4.8110 4.8110 4.8481 4.8520 5.4071 5.4087 5.9307 5.9313 10.4904 10.4922 11.7559 11.7590 11.9889 11.9893 13.1748 13.1750 13.2216 13.2241 14.9099 14.9127 k = 0.3846 0.4963-0.0998 ( 4570 PWs) bands (ev): -13.9112 -13.9109 -13.8150 -13.8150 -13.0094 -13.0090 -12.9947 -12.9934 -12.7115 -12.7110 -12.6131 -12.6131 -12.4659 -12.4648 -12.3725 -12.3724 -3.4405 -3.4394 -2.9951 -2.9947 -1.4948 -1.4921 -1.0890 -1.0888 -0.5553 -0.5547 -0.2710 -0.2692 0.1493 0.1497 0.3523 0.3528 1.2725 1.2745 1.3669 1.3685 1.7172 1.7203 2.2669 2.2705 2.2794 2.2803 2.7446 2.7459 3.1895 3.1917 3.5299 3.5317 3.9566 3.9600 4.1521 4.1556 4.2068 4.2099 4.6142 4.6147 4.8202 4.8204 4.8647 4.8687 5.3847 5.3865 5.9327 5.9334 10.4783 10.4804 11.7567 11.7601 11.9859 11.9863 13.2122 13.2142 13.2160 13.2170 14.9120 14.9153 k = 0.3718 0.4963-0.0998 ( 4572 PWs) bands (ev): -13.9442 -13.9439 -13.8305 -13.8305 -13.0101 -13.0088 -12.9814 -12.9811 -12.7064 -12.7059 -12.6020 -12.6020 -12.4365 -12.4353 -12.3722 -12.3721 -3.4251 -3.4239 -2.9895 -2.9891 -1.4907 -1.4877 -1.0812 -1.0811 -0.5665 -0.5659 -0.2947 -0.2927 0.1363 0.1368 0.3510 0.3515 1.2742 1.2763 1.3677 1.3695 1.7265 1.7299 2.2737 2.2776 2.2871 2.2881 2.7400 2.7415 3.1736 3.1756 3.5119 3.5138 3.9640 3.9673 4.1348 4.1384 4.2066 4.2098 4.6094 4.6099 4.8289 4.8293 4.8811 4.8851 5.3619 5.3641 5.9348 5.9356 10.4650 10.4672 11.7573 11.7610 11.9837 11.9842 13.2060 13.2090 13.2574 13.2577 14.9135 14.9172 k = 0.3590 0.4963-0.0998 ( 4580 PWs) bands (ev): -13.9772 -13.9769 -13.8468 -13.8468 -13.0249 -13.0235 -12.9554 -12.9551 -12.7016 -12.7011 -12.5888 -12.5887 -12.4061 -12.4049 -12.3716 -12.3715 -3.4081 -3.4067 -2.9836 -2.9832 -1.4864 -1.4831 -1.0733 -1.0732 -0.5798 -0.5790 -0.3204 -0.3183 0.1238 0.1242 0.3506 0.3511 1.2765 1.2786 1.3688 1.3707 1.7365 1.7400 2.2798 2.2840 2.2939 2.2950 2.7365 2.7382 3.1587 3.1605 3.4934 3.4953 3.9689 3.9721 4.1167 4.1204 4.2070 4.2101 4.6045 4.6049 4.8362 4.8369 4.8969 4.9009 5.3398 5.3424 5.9371 5.9379 10.4504 10.4527 11.7576 11.7616 11.9826 11.9831 13.1984 13.2015 13.3036 13.3040 14.9141 14.9183 k = 0.3462 0.4963-0.0998 ( 4582 PWs) bands (ev): -14.0100 -14.0097 -13.8638 -13.8638 -13.0390 -13.0377 -12.9317 -12.9314 -12.6970 -12.6965 -12.5733 -12.5733 -12.3754 -12.3741 -12.3704 -12.3702 -3.3894 -3.3880 -2.9775 -2.9770 -1.4819 -1.4783 -1.0655 -1.0655 -0.5951 -0.5943 -0.3481 -0.3457 0.1121 0.1125 0.3512 0.3518 1.2794 1.2816 1.3701 1.3722 1.7469 1.7506 2.2849 2.2895 2.2992 2.3003 2.7348 2.7366 3.1451 3.1468 3.4745 3.4763 3.9713 3.9742 4.0978 4.1015 4.2076 4.2107 4.5996 4.6000 4.8413 4.8423 4.9118 4.9158 5.3196 5.3225 5.9395 5.9404 10.4345 10.4369 11.7576 11.7618 11.9828 11.9833 13.1910 13.1941 13.3528 13.3533 14.9139 14.9185 k = 0.3333 0.4963-0.0998 ( 4580 PWs) bands (ev): -14.0424 -14.0421 -13.8814 -13.8813 -13.0525 -13.0512 -12.9107 -12.9105 -12.6925 -12.6921 -12.5558 -12.5558 -12.3689 -12.3687 -12.3437 -12.3425 -3.3692 -3.3676 -2.9710 -2.9705 -1.4772 -1.4734 -1.0583 -1.0582 -0.6124 -0.6115 -0.3775 -0.3749 0.1016 0.1020 0.3530 0.3536 1.2831 1.2853 1.3718 1.3740 1.7577 1.7615 2.2887 2.2938 2.3027 2.3036 2.7351 2.7370 3.1332 3.1347 3.4555 3.4573 3.9711 3.9737 4.0783 4.0821 4.2082 4.2111 4.5946 4.5949 4.8431 4.8445 4.9258 4.9297 5.3024 5.3057 5.9419 5.9428 10.4176 10.4200 11.7571 11.7616 11.9844 11.9850 13.1840 13.1871 13.4048 13.4054 14.9127 14.9177 k = 0.3205 0.4963-0.0998 ( 4574 PWs) bands (ev): -14.0743 -14.0740 -13.8993 -13.8993 -13.0654 -13.0642 -12.8926 -12.8923 -12.6882 -12.6878 -12.5366 -12.5366 -12.3661 -12.3659 -12.3122 -12.3110 -3.3473 -3.3456 -2.9645 -2.9639 -1.4724 -1.4684 -1.0523 -1.0521 -0.6314 -0.6304 -0.4083 -0.4055 0.0927 0.0930 0.3560 0.3565 1.2875 1.2897 1.3737 1.3761 1.7689 1.7728 2.2910 2.2965 2.3041 2.3047 2.7378 2.7397 3.1231 3.1244 3.4369 3.4386 3.9684 3.9708 4.0583 4.0621 4.2084 4.2111 4.5895 4.5898 4.8409 4.8426 4.9385 4.9424 5.2896 5.2932 5.9444 5.9453 10.3996 10.4021 11.7562 11.7608 11.9875 11.9881 13.1775 13.1807 13.4593 13.4601 14.9105 14.9160 k = 0.3077 0.4963-0.0998 ( 4580 PWs) bands (ev): -14.1055 -14.1052 -13.9175 -13.9174 -13.0777 -13.0765 -12.8772 -12.8770 -12.6840 -12.6836 -12.5166 -12.5165 -12.3617 -12.3614 -12.2807 -12.2796 -3.3238 -3.3220 -2.9578 -2.9573 -1.4676 -1.4633 -1.0482 -1.0479 -0.6513 -0.6502 -0.4403 -0.4373 0.0856 0.0858 0.3601 0.3607 1.2927 1.2949 1.3759 1.3784 1.7804 1.7844 2.2912 2.2968 2.3034 2.3040 2.7428 2.7447 3.1148 3.1159 3.4189 3.4204 3.9634 3.9656 4.0379 4.0417 4.2077 4.2103 4.5843 4.5845 4.8339 4.8359 4.9499 4.9537 5.2820 5.2859 5.9469 5.9478 10.3806 10.3832 11.7548 11.7595 11.9923 11.9929 13.1717 13.1749 13.5162 13.5171 14.9075 14.9135 k = 0.2949 0.4963-0.0998 ( 4582 PWs) bands (ev): -14.1359 -14.1357 -13.9358 -13.9357 -13.0895 -13.0884 -12.8645 -12.8642 -12.6799 -12.6795 -12.4967 -12.4965 -12.3550 -12.3547 -12.2494 -12.2483 -3.2986 -3.2968 -2.9511 -2.9506 -1.4629 -1.4584 -1.0471 -1.0466 -0.6713 -0.6701 -0.4731 -0.4700 0.0804 0.0805 0.3655 0.3661 1.2988 1.3009 1.3783 1.3809 1.7922 1.7962 2.2885 2.2932 2.3015 2.3027 2.7502 2.7520 3.1083 3.1092 3.4019 3.4032 3.9563 3.9583 4.0172 4.0210 4.2057 4.2081 4.5790 4.5791 4.8221 4.8244 4.9598 4.9635 5.2801 5.2842 5.9492 5.9502 10.3610 10.3635 11.7527 11.7576 11.9987 11.9993 13.1667 13.1697 13.5752 13.5762 14.9038 14.9102 k = 0.2821 0.4963-0.0998 ( 4578 PWs) bands (ev): -14.1655 -14.1652 -13.9540 -13.9540 -13.1008 -13.0997 -12.8540 -12.8538 -12.6759 -12.6756 -12.4784 -12.4782 -12.3450 -12.3446 -12.2184 -12.2173 -3.2719 -3.2700 -2.9444 -2.9439 -1.4582 -1.4535 -1.0503 -1.0496 -0.6901 -0.6888 -0.5066 -0.5033 0.0772 0.0772 0.3721 0.3727 1.3057 1.3077 1.3809 1.3836 1.8042 1.8081 2.2822 2.2857 2.2988 2.3012 2.7595 2.7611 3.1037 3.1044 3.3862 3.3873 3.9470 3.9490 3.9964 4.0001 4.2021 4.2045 4.5734 4.5736 4.8061 4.8086 4.9682 4.9718 5.2837 5.2880 5.9515 5.9525 10.3406 10.3432 11.7501 11.7550 12.0067 12.0073 13.1625 13.1654 13.6362 13.6373 14.8997 14.9065 k = 0.2692 0.4963-0.0998 ( 4580 PWs) bands (ev): -14.1941 -14.1938 -13.9722 -13.9721 -13.1115 -13.1104 -12.8455 -12.8454 -12.6721 -12.6717 -12.4630 -12.4628 -12.3308 -12.3304 -12.1878 -12.1867 -3.2436 -3.2416 -2.9379 -2.9374 -1.4536 -1.4487 -1.0591 -1.0582 -0.7061 -0.7047 -0.5403 -0.5369 0.0758 0.0759 0.3799 0.3804 1.3134 1.3152 1.3837 1.3864 1.8164 1.8201 2.2726 2.2752 2.2955 2.2986 2.7702 2.7716 3.1008 3.1014 3.3723 3.3732 3.9357 3.9377 3.9755 3.9793 4.1966 4.1990 4.5676 4.5677 4.7868 4.7894 4.9750 4.9785 5.2922 5.2965 5.9537 5.9546 10.3198 10.3223 11.7468 11.7517 12.0163 12.0169 13.1592 13.1619 13.6990 13.7002 14.8953 14.9026 k = 0.2564 0.4963-0.0998 ( 4580 PWs) bands (ev): -14.2217 -14.2215 -13.9900 -13.9900 -13.1217 -13.1207 -12.8388 -12.8386 -12.6683 -12.6679 -12.4512 -12.4510 -12.3121 -12.3117 -12.1578 -12.1568 -3.2137 -3.2117 -2.9315 -2.9310 -1.4491 -1.4441 -1.0748 -1.0737 -0.7179 -0.7164 -0.5741 -0.5705 0.0762 0.0765 0.3888 0.3893 1.3219 1.3235 1.3866 1.3893 1.8287 1.8323 2.2604 2.2621 2.2914 2.2949 2.7817 2.7829 3.0994 3.0999 3.3607 3.3612 3.9221 3.9242 3.9548 3.9586 4.1893 4.1917 4.5616 4.5617 4.7655 4.7681 4.9803 4.9836 5.3048 5.3091 5.9557 5.9566 10.2987 10.3011 11.7430 11.7478 12.0274 12.0280 13.1567 13.1593 13.7633 13.7646 14.8911 14.8988 k = 0.2436 0.4963-0.0998 ( 4586 PWs) bands (ev): -14.2482 -14.2480 -14.0076 -14.0075 -13.1314 -13.1305 -12.8334 -12.8332 -12.6646 -12.6643 -12.4429 -12.4427 -12.2896 -12.2891 -12.1285 -12.1275 -3.1823 -3.1801 -2.9254 -2.9249 -1.4448 -1.4397 -1.0983 -1.0970 -0.7246 -0.7230 -0.6077 -0.6040 0.0783 0.0787 0.3987 0.3992 1.3312 1.3326 1.3896 1.3923 1.8412 1.8445 2.2459 2.2470 2.2864 2.2901 2.7931 2.7942 3.0994 3.0997 3.3517 3.3519 3.9062 3.9084 3.9344 3.9383 4.1802 4.1827 4.5552 4.5553 4.7433 4.7460 4.9839 4.9871 5.3204 5.3246 5.9575 5.9584 10.2774 10.2797 11.7385 11.7433 12.0399 12.0404 13.1550 13.1574 13.8290 13.8305 14.8872 14.8954 k = 0.2308 0.4963-0.0998 ( 4590 PWs) bands (ev): -14.2736 -14.2734 -14.0247 -14.0246 -13.1406 -13.1397 -12.8291 -12.8290 -12.6611 -12.6608 -12.4373 -12.4371 -12.2642 -12.2638 -12.1000 -12.0990 -3.1493 -3.1471 -2.9196 -2.9191 -1.4407 -1.4355 -1.1292 -1.1278 -0.7260 -0.7244 -0.6407 -0.6369 0.0819 0.0824 0.4095 0.4100 1.3411 1.3422 1.3927 1.3954 1.8537 1.8566 2.2297 2.2303 2.2806 2.2844 2.8039 2.8047 3.1005 3.1008 3.3456 3.3458 3.8875 3.8900 3.9145 3.9184 4.1697 4.1724 4.5485 4.5485 4.7214 4.7240 4.9860 4.9891 5.3383 5.3424 5.9591 5.9600 10.2561 10.2584 11.7335 11.7382 12.0537 12.0542 13.1541 13.1563 13.8959 13.8975 14.8841 14.8926 k = 0.2179 0.4963-0.0998 ( 4586 PWs) bands (ev): -14.2979 -14.2977 -14.0412 -14.0412 -13.1494 -13.1485 -12.8258 -12.8257 -12.6577 -12.6574 -12.4337 -12.4335 -12.2371 -12.2367 -12.0724 -12.0715 -3.1148 -3.1125 -2.9141 -2.9136 -1.4368 -1.4316 -1.1670 -1.1655 -0.7228 -0.7211 -0.6730 -0.6692 0.0867 0.0874 0.4212 0.4216 1.3516 1.3524 1.3958 1.3986 1.8663 1.8687 2.2123 2.2124 2.2744 2.2780 2.8132 2.8139 3.1024 3.1027 3.3427 3.3432 3.8658 3.8686 3.8952 3.8992 4.1582 4.1611 4.5414 4.5414 4.7005 4.7031 4.9867 4.9897 5.3577 5.3616 5.9605 5.9613 10.2349 10.2371 11.7281 11.7327 12.0686 12.0691 13.1539 13.1558 13.9639 13.9656 14.8820 14.8909 k = 0.2051 0.4963-0.0998 ( 4596 PWs) bands (ev): -14.3209 -14.3207 -14.0572 -14.0571 -13.1576 -13.1568 -12.8232 -12.8231 -12.6545 -12.6542 -12.4315 -12.4313 -12.2092 -12.2088 -12.0458 -12.0449 -3.0788 -3.0765 -2.9090 -2.9086 -1.4332 -1.4279 -1.2106 -1.2090 -0.7159 -0.7140 -0.7040 -0.7005 0.0926 0.0934 0.4336 0.4340 1.3625 1.3630 1.3990 1.4017 1.8788 1.8807 2.1935 2.1938 2.2679 2.2713 2.8206 2.8212 3.1051 3.1054 3.3434 3.3443 3.8408 3.8438 3.8768 3.8809 4.1465 4.1495 4.5338 4.5339 4.6813 4.6838 4.9860 4.9889 5.3779 5.3817 5.9616 5.9624 10.2141 10.2162 11.7222 11.7266 12.0845 12.0849 13.1543 13.1559 14.0327 14.0345 14.8813 14.8905 k = 0.1923 0.4963-0.0998 ( 4590 PWs) bands (ev): -14.3427 -14.3425 -14.0725 -14.0724 -13.1654 -13.1647 -12.8212 -12.8211 -12.6514 -12.6511 -12.4302 -12.4300 -12.1812 -12.1808 -12.0203 -12.0195 -3.0413 -3.0390 -2.9043 -2.9039 -1.4298 -1.4246 -1.2587 -1.2571 -0.7348 -0.7307 -0.7052 -0.7039 0.0993 0.1001 0.4465 0.4469 1.3738 1.3738 1.4023 1.4049 1.8913 1.8925 2.1741 2.1747 2.2614 2.2645 2.8257 2.8262 3.1081 3.1085 3.3476 3.3489 3.8122 3.8155 3.8595 3.8637 4.1351 4.1383 4.5257 4.5259 4.6641 4.6665 4.9841 4.9868 5.3985 5.4020 5.9625 5.9633 10.1938 10.1957 11.7161 11.7203 12.1010 12.1014 13.1551 13.1565 14.1022 14.1041 14.8820 14.8915 k = 0.1795 0.4963-0.0998 ( 4592 PWs) bands (ev): -14.3632 -14.3630 -14.0870 -14.0870 -13.1727 -13.1720 -12.8197 -12.8197 -12.6485 -12.6482 -12.4295 -12.4293 -12.1535 -12.1532 -11.9960 -11.9952 -3.0025 -3.0002 -2.9000 -2.8996 -1.4267 -1.4215 -1.3104 -1.3087 -0.7636 -0.7595 -0.6931 -0.6918 0.1065 0.1075 0.4599 0.4602 1.3848 1.3851 1.4056 1.4082 1.9036 1.9040 2.1543 2.1552 2.2553 2.2580 2.8283 2.8288 3.1114 3.1118 3.3552 3.3570 3.7801 3.7837 3.8436 3.8479 4.1246 4.1279 4.5172 4.5174 4.6489 4.6512 4.9810 4.9836 5.4190 5.4223 5.9632 5.9639 10.1740 10.1759 11.7097 11.7137 12.1181 12.1184 13.1563 13.1574 14.1723 14.1742 14.8845 14.8942 k = 0.1667 0.4963-0.0998 ( 4592 PWs) bands (ev): -14.3824 -14.3823 -14.1008 -14.1008 -13.1795 -13.1788 -12.8186 -12.8186 -12.6457 -12.6455 -12.4292 -12.4291 -12.1267 -12.1263 -11.9730 -11.9723 -2.9624 -2.9600 -2.8961 -2.8958 -1.4239 -1.4188 -1.3649 -1.3631 -0.7909 -0.7869 -0.6795 -0.6783 0.1141 0.1151 0.4735 0.4737 1.3956 1.3965 1.4091 1.4115 1.9151 1.9155 2.1345 2.1357 2.2499 2.2521 2.8287 2.8291 3.1147 3.1153 3.3657 3.3679 3.7448 3.7486 3.8293 3.8337 4.1155 4.1188 4.5082 4.5084 4.6357 4.6378 4.9770 4.9794 5.4390 5.4422 5.9637 5.9644 10.1551 10.1568 11.7032 11.7070 12.1355 12.1357 13.1577 13.1586 14.2427 14.2446 14.8888 14.8988 k = 0.1538 0.4963-0.0998 ( 4592 PWs) bands (ev): -14.4003 -14.4002 -14.1138 -14.1137 -13.1858 -13.1852 -12.8178 -12.8178 -12.6432 -12.6429 -12.4292 -12.4291 -12.1009 -12.1006 -11.9514 -11.9507 -2.9210 -2.9187 -2.8927 -2.8924 -1.4228 -1.4198 -1.4198 -1.4161 -0.8165 -0.8127 -0.6650 -0.6639 0.1218 0.1229 0.4872 0.4874 1.4057 1.4074 1.4131 1.4150 1.9257 1.9270 2.1149 2.1162 2.2456 2.2472 2.8269 2.8273 3.1180 3.1187 3.3785 3.3810 3.7068 3.7107 3.8168 3.8214 4.1079 4.1112 4.4987 4.4989 4.6243 4.6264 4.9721 4.9744 5.4584 5.4613 5.9640 5.9646 10.1370 10.1386 11.6967 11.7002 12.1529 12.1531 13.1593 13.1600 14.3132 14.3152 14.8951 14.9051 k = 0.1410 0.4963-0.0998 ( 4604 PWs) bands (ev): -14.4168 -14.4167 -14.1258 -14.1258 -13.1916 -13.1911 -12.8173 -12.8172 -12.6408 -12.6406 -12.4294 -12.4293 -12.0765 -12.0762 -11.9312 -11.9306 -2.8897 -2.8895 -2.8786 -2.8761 -1.4791 -1.4773 -1.4189 -1.4142 -0.8404 -0.8367 -0.6501 -0.6491 0.1296 0.1307 0.5008 0.5009 1.4131 1.4160 1.4195 1.4203 1.9356 1.9378 2.0957 2.0972 2.2426 2.2436 2.8235 2.8238 3.1210 3.1219 3.3928 3.3956 3.6668 3.6708 3.8065 3.8112 4.1018 4.1050 4.4887 4.4889 4.6147 4.6165 4.9667 4.9688 5.4768 5.4795 5.9641 5.9647 10.1200 10.1215 11.6903 11.6935 12.1701 12.1703 13.1609 13.1614 14.3838 14.3859 14.9032 14.9133 k = 0.1282 0.4963-0.0998 ( 4602 PWs) bands (ev): -14.4320 -14.4319 -14.1369 -14.1369 -13.1970 -13.1965 -12.8169 -12.8169 -12.6386 -12.6384 -12.4297 -12.4297 -12.0536 -12.0533 -11.9125 -11.9119 -2.8872 -2.8870 -2.8352 -2.8328 -1.5376 -1.5357 -1.4168 -1.4124 -0.8624 -0.8589 -0.6353 -0.6344 0.1371 0.1383 0.5141 0.5142 1.4174 1.4202 1.4284 1.4295 1.9447 1.9478 2.0772 2.0788 2.2413 2.2415 2.8188 2.8191 3.1237 3.1248 3.4077 3.4108 3.6257 3.6297 3.7985 3.8033 4.0972 4.1002 4.4783 4.4786 4.6065 4.6082 4.9608 4.9628 5.4942 5.4966 5.9641 5.9647 10.1041 10.1054 11.6841 11.6871 12.1869 12.1870 13.1625 13.1628 14.4543 14.4564 14.9132 14.9233 k = 0.1154 0.4963-0.0998 ( 4610 PWs) bands (ev): -14.4458 -14.4456 -14.1471 -14.1471 -13.2018 -13.2014 -12.8167 -12.8167 -12.6366 -12.6364 -12.4301 -12.4301 -12.0324 -12.0321 -11.8954 -11.8949 -2.8850 -2.8848 -2.7910 -2.7887 -1.5962 -1.5944 -1.4150 -1.4108 -0.8825 -0.8791 -0.6208 -0.6200 0.1443 0.1455 0.5269 0.5270 1.4209 1.4235 1.4373 1.4387 1.9528 1.9567 2.0596 2.0612 2.2413 2.2416 2.8132 2.8135 3.1261 3.1273 3.4225 3.4258 3.5844 3.5884 3.7931 3.7979 4.0938 4.0967 4.4676 4.4679 4.5996 4.6011 4.9547 4.9566 5.5102 5.5125 5.9640 5.9645 10.0894 10.0906 11.6781 11.6808 12.2030 12.2031 13.1639 13.1641 14.5245 14.5265 14.9249 14.9347 k = 0.1026 0.4963-0.0998 ( 4610 PWs) bands (ev): -14.4581 -14.4580 -14.1563 -14.1563 -13.2062 -13.2058 -12.8166 -12.8166 -12.6348 -12.6346 -12.4306 -12.4305 -12.0131 -12.0128 -11.8799 -11.8794 -2.8832 -2.8830 -2.7464 -2.7441 -1.6544 -1.6526 -1.4134 -1.4095 -0.9005 -0.8974 -0.6069 -0.6062 0.1510 0.1522 0.5391 0.5391 1.4243 1.4266 1.4456 1.4473 1.9599 1.9643 2.0431 2.0447 2.2429 2.2438 2.8072 2.8074 3.1281 3.1295 3.4365 3.4398 3.5437 3.5476 3.7904 3.7951 4.0916 4.0942 4.4568 4.4571 4.5938 4.5952 4.9486 4.9503 5.5249 5.5269 5.9638 5.9643 10.0760 10.0771 11.6726 11.6750 12.2181 12.2182 13.1652 13.1653 14.5943 14.5963 14.9379 14.9474 k = 0.0897 0.4963-0.0998 ( 4604 PWs) bands (ev): -14.4690 -14.4690 -14.1645 -14.1644 -13.2100 -13.2096 -12.8166 -12.8166 -12.6332 -12.6330 -12.4310 -12.4309 -11.9957 -11.9955 -11.8661 -11.8657 -2.8817 -2.8816 -2.7017 -2.6995 -1.7116 -1.7098 -1.4120 -1.4085 -0.9164 -0.9136 -0.5940 -0.5934 0.1572 0.1583 0.5504 0.5504 1.4274 1.4295 1.4530 1.4548 1.9658 1.9706 2.0279 2.0295 2.2464 2.2477 2.8011 2.8013 3.1297 3.1313 3.4489 3.4521 3.5049 3.5086 3.7902 3.7947 4.0902 4.0925 4.4460 4.4464 4.5889 4.5902 4.9427 4.9442 5.5380 5.5398 5.9636 5.9640 10.0641 10.0650 11.6675 11.6696 12.2321 12.2322 13.1664 13.1664 14.6634 14.6654 14.9519 14.9610 k = 0.0769 0.4963-0.0998 ( 4600 PWs) bands (ev): -14.4785 -14.4785 -14.1716 -14.1716 -13.2133 -13.2130 -12.8166 -12.8166 -12.6318 -12.6317 -12.4314 -12.4314 -11.9805 -11.9803 -11.8541 -11.8537 -2.8806 -2.8804 -2.6576 -2.6554 -1.7670 -1.7652 -1.4108 -1.4077 -0.9302 -0.9277 -0.5823 -0.5818 0.1627 0.1637 0.5606 0.5607 1.4304 1.4322 1.4595 1.4613 1.9705 1.9754 2.0143 2.0158 2.2513 2.2528 2.7952 2.7954 3.1310 3.1326 3.4593 3.4614 3.4698 3.4724 3.7923 3.7965 4.0895 4.0915 4.4355 4.4359 4.5850 4.5861 4.9372 4.9385 5.5496 5.5512 5.9633 5.9637 10.0536 10.0544 11.6629 11.6648 12.2448 12.2448 13.1673 13.1674 14.7319 14.7338 14.9665 14.9750 k = 0.0641 0.4963-0.0998 ( 4606 PWs) bands (ev): -14.4866 -14.4865 -14.1777 -14.1776 -13.2161 -13.2159 -12.8167 -12.8166 -12.6306 -12.6305 -12.4318 -12.4317 -11.9674 -11.9673 -11.8438 -11.8435 -2.8796 -2.8795 -2.6147 -2.6127 -1.8195 -1.8178 -1.4097 -1.4071 -0.9418 -0.9397 -0.5719 -0.5715 0.1675 0.1683 0.5696 0.5697 1.4331 1.4346 1.4650 1.4667 1.9741 1.9788 2.0026 2.0041 2.2572 2.2588 2.7898 2.7900 3.1318 3.1335 3.4354 3.4388 3.4685 3.4714 3.7961 3.7998 4.0893 4.0910 4.4257 4.4260 4.5818 4.5827 4.9322 4.9333 5.5595 5.5608 5.9631 5.9633 10.0446 10.0453 11.6590 11.6605 12.2558 12.2558 13.1681 13.1682 14.7993 14.8012 14.9810 14.9886 k = 0.0513 0.4963-0.0998 ( 4612 PWs) bands (ev): -14.4932 -14.4931 -14.1826 -14.1826 -13.2184 -13.2182 -12.8167 -12.8167 -12.6297 -12.6296 -12.4321 -12.4321 -11.9567 -11.9565 -11.8353 -11.8351 -2.8789 -2.8789 -2.5744 -2.5726 -1.8678 -1.8663 -1.4088 -1.4067 -0.9513 -0.9496 -0.5632 -0.5629 0.1714 0.1721 0.5773 0.5773 1.4355 1.4368 1.4695 1.4710 1.9762 1.9804 1.9935 1.9947 2.2635 2.2649 2.7851 2.7852 3.1324 3.1340 3.4074 3.4103 3.4752 3.4776 3.8009 3.8040 4.0894 4.0908 4.4168 4.4172 4.5792 4.5800 4.9280 4.9289 5.5678 5.5688 5.9628 5.9630 10.0372 10.0377 11.6557 11.6569 12.2651 12.2651 13.1687 13.1688 14.8656 14.8675 14.9947 15.0012 k = 0.0385 0.4963-0.0998 ( 4616 PWs) bands (ev): -14.4983 -14.4983 -14.1865 -14.1865 -13.2202 -13.2201 -12.8168 -12.8168 -12.6289 -12.6288 -12.4324 -12.4323 -11.9482 -11.9481 -11.8287 -11.8285 -2.8784 -2.8784 -2.5383 -2.5368 -1.9101 -1.9088 -1.4081 -1.4065 -0.9587 -0.9573 -0.5562 -0.5560 0.1746 0.1751 0.5834 0.5834 1.4375 1.4385 1.4731 1.4743 1.9763 1.9789 1.9885 1.9887 2.2694 2.2706 2.7813 2.7814 3.1328 3.1341 3.3847 3.3871 3.4802 3.4821 3.8060 3.8084 4.0897 4.0907 4.4094 4.4097 4.5774 4.5779 4.9246 4.9252 5.5742 5.5750 5.9626 5.9628 10.0314 10.0318 11.6531 11.6540 12.2725 12.2725 13.1691 13.1692 14.9304 14.9322 15.0069 15.0120 k = 0.0256 0.4963-0.0998 ( 4618 PWs) bands (ev): -14.5020 -14.5020 -14.1893 -14.1893 -13.2215 -13.2214 -12.8168 -12.8168 -12.6283 -12.6283 -12.4325 -12.4325 -11.9421 -11.9421 -11.8240 -11.8238 -2.8781 -2.8781 -2.5090 -2.5079 -1.9438 -1.9428 -1.4075 -1.4064 -0.9639 -0.9629 -0.5511 -0.5509 0.1769 0.1772 0.5878 0.5878 1.4390 1.4397 1.4756 1.4765 1.9741 1.9751 1.9867 1.9874 2.2744 2.2752 2.7785 2.7786 3.1330 3.1340 3.3680 3.3697 3.4836 3.4849 3.8104 3.8120 4.0900 4.0907 4.4038 4.4040 4.5761 4.5764 4.9221 4.9225 5.5789 5.5794 5.9625 5.9626 10.0273 10.0275 11.6513 11.6519 12.2778 12.2778 13.1695 13.1696 14.9927 14.9947 15.0172 15.0203 k = 0.0128 0.4963-0.0998 ( 4608 PWs) bands (ev): -14.5042 -14.5042 -14.1910 -14.1910 -13.2223 -13.2222 -12.8169 -12.8169 -12.6280 -12.6280 -12.4327 -12.4327 -11.9385 -11.9384 -11.8211 -11.8210 -2.8779 -2.8779 -2.4893 -2.4887 -1.9658 -1.9653 -1.4070 -1.4065 -0.9669 -0.9664 -0.5480 -0.5479 0.1783 0.1785 0.5905 0.5905 1.4400 1.4404 1.4772 1.4777 1.9718 1.9720 1.9866 1.9872 2.2777 2.2781 2.7768 2.7769 3.1333 3.1338 3.3580 3.3589 3.4858 3.4864 3.8135 3.8144 4.0903 4.0906 4.4003 4.4004 4.5753 4.5755 4.9206 4.9208 5.5818 5.5820 5.9624 5.9624 10.0248 10.0250 11.6503 11.6506 12.2811 12.2811 13.1697 13.1697 15.0225 15.0248 15.0525 15.0534 k = 0.0000 0.4963-0.0998 ( 4608 PWs) bands (ev): -14.5049 -14.5049 -14.1915 -14.1915 -13.2225 -13.2225 -12.8169 -12.8169 -12.6279 -12.6279 -12.4327 -12.4327 -11.9372 -11.9372 -11.8201 -11.8201 -2.8778 -2.8778 -2.4822 -2.4822 -1.9733 -1.9733 -1.4067 -1.4067 -0.9677 -0.9677 -0.5469 -0.5469 0.1788 0.1788 0.5914 0.5914 1.4405 1.4405 1.4779 1.4779 1.9709 1.9709 1.9869 1.9869 2.2790 2.2790 2.7763 2.7763 3.1335 3.1335 3.3549 3.3549 3.4867 3.4867 3.8149 3.8149 4.0905 4.0905 4.3992 4.3992 4.5752 4.5752 4.9202 4.9202 5.5828 5.5828 5.9624 5.9624 10.0240 10.0240 11.6500 11.6500 12.2822 12.2822 13.1698 13.1698 15.0258 15.0258 15.0885 15.0885 k = 0.0000 0.4963-0.0998 ( 4608 PWs) bands (ev): -14.5049 -14.5049 -14.1915 -14.1915 -13.2225 -13.2225 -12.8169 -12.8169 -12.6279 -12.6279 -12.4327 -12.4327 -11.9372 -11.9372 -11.8201 -11.8201 -2.8778 -2.8778 -2.4822 -2.4822 -1.9733 -1.9733 -1.4067 -1.4067 -0.9677 -0.9677 -0.5469 -0.5469 0.1788 0.1788 0.5914 0.5914 1.4405 1.4405 1.4779 1.4779 1.9709 1.9709 1.9869 1.9869 2.2790 2.2790 2.7763 2.7763 3.1335 3.1335 3.3549 3.3549 3.4867 3.4867 3.8149 3.8149 4.0905 4.0905 4.3992 4.3992 4.5752 4.5752 4.9202 4.9202 5.5828 5.5828 5.9624 5.9624 10.0240 10.0240 11.6500 11.6500 12.2822 12.2822 13.1698 13.1698 15.0258 15.0258 15.0885 15.0885 k = 0.0000 0.4987-0.0876 ( 4603 PWs) bands (ev): -14.5052 -14.5051 -14.1911 -14.1911 -13.2228 -13.2227 -12.8183 -12.8180 -12.6280 -12.6277 -12.4314 -12.4310 -11.9373 -11.9371 -11.8203 -11.8203 -2.8779 -2.8778 -2.4827 -2.4826 -1.9748 -1.9747 -1.4058 -1.4055 -0.9679 -0.9673 -0.5454 -0.5452 0.1791 0.1793 0.5902 0.5903 1.4393 1.4398 1.4785 1.4786 1.9589 1.9687 1.9899 1.9994 2.2804 2.2808 2.7754 2.7759 3.1324 3.1326 3.3521 3.3531 3.4873 3.4882 3.8138 3.8143 4.0919 4.0927 4.3981 4.3996 4.5753 4.5766 4.9200 4.9202 5.5828 5.5829 5.9615 5.9616 10.0253 10.0254 11.6408 11.6423 12.2893 12.2910 13.1692 13.1695 15.0229 15.0244 15.0879 15.0881 k = 0.0000 0.5012-0.0753 ( 4599 PWs) bands (ev): -14.5058 -14.5058 -14.1900 -14.1899 -13.2235 -13.2235 -12.8220 -12.8215 -12.6279 -12.6274 -12.4271 -12.4264 -11.9374 -11.9371 -11.8209 -11.8208 -2.8779 -2.8778 -2.4842 -2.4840 -1.9790 -1.9789 -1.4029 -1.4023 -0.9678 -0.9666 -0.5408 -0.5403 0.1802 0.1805 0.5868 0.5869 1.4361 1.4373 1.4803 1.4805 1.9461 1.9568 2.0039 2.0139 2.2850 2.2859 2.7732 2.7743 3.1292 3.1298 3.3451 3.3469 3.4899 3.4916 3.8109 3.8118 4.0966 4.0982 4.3966 4.3996 4.5770 4.5796 4.9198 4.9201 5.5827 5.5831 5.9592 5.9594 10.0292 10.0295 11.6159 11.6187 12.3113 12.3145 13.1678 13.1684 15.0163 15.0190 15.0861 15.0864 k = 0.0000 0.5037-0.0630 ( 4599 PWs) bands (ev): -14.5069 -14.5068 -14.1880 -14.1879 -13.2247 -13.2247 -12.8281 -12.8273 -12.6277 -12.6269 -12.4200 -12.4190 -11.9375 -11.9370 -11.8219 -11.8217 -2.8779 -2.8777 -2.4866 -2.4864 -1.9859 -1.9857 -1.3981 -1.3971 -0.9675 -0.9657 -0.5330 -0.5324 0.1821 0.1825 0.5810 0.5813 1.4312 1.4329 1.4834 1.4836 1.9340 1.9447 2.0193 2.0290 2.2927 2.2940 2.7699 2.7715 3.1241 3.1250 3.3345 3.3370 3.4939 3.4962 3.8065 3.8078 4.1044 4.1065 4.3948 4.3991 4.5801 4.5839 4.9194 4.9199 5.5828 5.5833 5.9554 5.9556 10.0357 10.0361 11.5784 11.5823 12.3451 12.3495 13.1657 13.1665 15.0071 15.0104 15.0831 15.0834 k = 0.0000 0.5061-0.0508 ( 4601 PWs) bands (ev): -14.5084 -14.5083 -14.1852 -14.1851 -13.2264 -13.2263 -12.8360 -12.8351 -12.6272 -12.6263 -12.4106 -12.4094 -11.9376 -11.9370 -11.8232 -11.8230 -2.8779 -2.8777 -2.4899 -2.4896 -1.9953 -1.9951 -1.3914 -1.3902 -0.9670 -0.9647 -0.5223 -0.5215 0.1847 0.1852 0.5731 0.5734 1.4247 1.4267 1.4876 1.4877 1.9225 1.9332 2.0354 2.0448 2.3034 2.3051 2.7653 2.7675 3.1171 3.1182 3.3213 3.3243 3.4986 3.5012 3.8010 3.8026 4.1146 4.1172 4.3930 4.3984 4.5846 4.5893 4.9189 4.9196 5.5828 5.5835 5.9501 5.9505 10.0447 10.0454 11.5317 11.5362 12.3874 12.3926 13.1626 13.1638 14.9961 14.9996 15.0787 15.0789 k = 0.0000 0.5086-0.0385 ( 4603 PWs) bands (ev): -14.5103 -14.5102 -14.1817 -14.1815 -13.2285 -13.2285 -12.8456 -12.8445 -12.6263 -12.6254 -12.3992 -12.3977 -11.9378 -11.9370 -11.8249 -11.8246 -2.8779 -2.8776 -2.4940 -2.4936 -2.0069 -2.0066 -1.3832 -1.3816 -0.9663 -0.9635 -0.5088 -0.5079 0.1881 0.1887 0.5630 0.5634 1.4166 1.4191 1.4928 1.4930 1.9119 1.9224 2.0521 2.0610 2.3168 2.3188 2.7596 2.7623 3.1082 3.1097 3.3063 3.3097 3.5034 3.5063 3.7946 3.7964 4.1264 4.1295 4.3915 4.3980 4.5901 4.5957 4.9184 4.9191 5.5830 5.5838 5.9436 5.9440 10.0564 10.0572 11.4785 11.4835 12.4353 12.4412 13.1588 13.1603 14.9839 14.9874 15.0727 15.0731 k = 0.0000 0.5111-0.0263 ( 4611 PWs) bands (ev): -14.5126 -14.5125 -14.1774 -14.1772 -13.2311 -13.2310 -12.8564 -12.8553 -12.6252 -12.6242 -12.3861 -12.3845 -11.9381 -11.9371 -11.8268 -11.8266 -2.8779 -2.8775 -2.4987 -2.4982 -2.0203 -2.0200 -1.3735 -1.3717 -0.9656 -0.9624 -0.4927 -0.4917 0.1923 0.1930 0.5508 0.5512 1.4072 1.4100 1.4990 1.4992 1.9022 1.9125 2.0693 2.0776 2.3327 2.3348 2.7527 2.7559 3.0976 3.0995 3.2901 3.2938 3.5079 3.5109 3.7877 3.7896 4.1391 4.1425 4.3908 4.3981 4.5966 4.6028 4.9177 4.9186 5.5832 5.5841 5.9358 5.9362 10.0705 10.0715 11.4210 11.4263 12.4865 12.4929 13.1541 13.1558 14.9709 14.9743 15.0655 15.0660 k = 0.0000 0.5135-0.0140 ( 4610 PWs) bands (ev): -14.5153 -14.5152 -14.1724 -14.1722 -13.2341 -13.2340 -12.8682 -12.8669 -12.6238 -12.6228 -12.3718 -12.3700 -11.9384 -11.9372 -11.8291 -11.8288 -2.8777 -2.8773 -2.5040 -2.5035 -2.0354 -2.0350 -1.3626 -1.3605 -0.9648 -0.9613 -0.4743 -0.4731 0.1973 0.1980 0.5367 0.5371 1.3966 1.3996 1.5061 1.5062 1.8934 1.9034 2.0869 2.0947 2.3506 2.3529 2.7447 2.7484 3.0856 3.0877 3.2731 3.2770 3.5119 3.5150 3.7805 3.7824 4.1520 4.1556 4.3913 4.3993 4.6036 4.6104 4.9169 4.9179 5.5834 5.5846 5.9270 5.9275 10.0871 10.0882 11.3606 11.3662 12.5395 12.5462 13.1485 13.1506 14.9574 14.9605 15.0570 15.0577 k = 0.0000 0.5160-0.0017 ( 4610 PWs) bands (ev): -14.5184 -14.5183 -14.1668 -14.1666 -13.2375 -13.2374 -12.8806 -12.8793 -12.6222 -12.6212 -12.3566 -12.3546 -11.9388 -11.9375 -11.8316 -11.8312 -2.8774 -2.8770 -2.5098 -2.5092 -2.0516 -2.0511 -1.3507 -1.3484 -0.9641 -0.9603 -0.4537 -0.4525 0.2030 0.2038 0.5207 0.5212 1.3850 1.3882 1.5138 1.5139 1.8855 1.8953 2.1049 2.1121 2.3703 2.3727 2.7357 2.7399 3.0721 3.0747 3.2557 3.2599 3.5152 3.5184 3.7731 3.7750 4.1641 4.1678 4.3934 4.4020 4.6111 4.6183 4.9160 4.9172 5.5838 5.5851 5.9172 5.9177 10.1060 10.1072 11.2985 11.3042 12.5931 12.6001 13.1421 13.1444 14.9436 14.9464 15.0475 15.0483 k = 0.0000 0.5185 0.0105 ( 4602 PWs) bands (ev): -14.5218 -14.5217 -14.1605 -14.1603 -13.2413 -13.2411 -12.8932 -12.8919 -12.6203 -12.6194 -12.3407 -12.3386 -11.9394 -11.9379 -11.8343 -11.8338 -2.8770 -2.8765 -2.5161 -2.5154 -2.0687 -2.0682 -1.3380 -1.3355 -0.9636 -0.9595 -0.4313 -0.4300 0.2095 0.2103 0.5029 0.5034 1.3726 1.3760 1.5221 1.5222 1.8787 1.8882 2.1232 2.1299 2.3915 2.3939 2.7259 2.7305 3.0576 3.0605 3.2383 3.2427 3.5179 3.5210 3.7657 3.7675 4.1749 4.1786 4.3976 4.4065 4.6188 4.6263 4.9150 4.9163 5.5843 5.5857 5.9067 5.9073 10.1272 10.1285 11.2354 11.2412 12.6464 12.6536 13.1348 13.1374 14.9296 14.9320 15.0370 15.0379 k = 0.0000 0.5209 0.0228 ( 4603 PWs) bands (ev): -14.5256 -14.5254 -14.1537 -14.1535 -13.2454 -13.2452 -12.9059 -12.9046 -12.6182 -12.6174 -12.3244 -12.3223 -11.9401 -11.9385 -11.8371 -11.8365 -2.8764 -2.8759 -2.5227 -2.5220 -2.0863 -2.0857 -1.3248 -1.3221 -0.9632 -0.9589 -0.4072 -0.4059 0.2166 0.2175 0.4835 0.4840 1.3595 1.3631 1.5307 1.5308 1.8730 1.8821 2.1418 2.1479 2.4136 2.4159 2.7155 2.7203 3.0423 3.0455 3.2210 3.2255 3.5198 3.5229 3.7584 3.7601 4.1837 4.1873 4.4040 4.4132 4.6266 4.6343 4.9139 4.9154 5.5849 5.5864 5.8956 5.8962 10.1504 10.1519 11.1720 11.1778 12.6986 12.7062 13.1266 13.1296 14.9156 14.9175 15.0259 15.0268 k = 0.0000 0.5234 0.0351 ( 4607 PWs) bands (ev): -14.5296 -14.5295 -14.1463 -14.1461 -13.2498 -13.2497 -12.9184 -12.9171 -12.6160 -12.6153 -12.3079 -12.3058 -11.9411 -11.9394 -11.8399 -11.8394 -2.8755 -2.8750 -2.5297 -2.5289 -2.1040 -2.1034 -1.3113 -1.3084 -0.9632 -0.9587 -0.3819 -0.3805 0.2244 0.2253 0.4626 0.4632 1.3461 1.3498 1.5394 1.5395 1.8684 1.8771 2.1605 2.1662 2.4361 2.4383 2.7047 2.7097 3.0263 3.0298 3.2040 3.2087 3.5211 3.5241 3.7513 3.7528 4.1902 4.1938 4.4127 4.4219 4.6343 4.6421 4.9127 4.9144 5.5857 5.5872 5.8841 5.8847 10.1756 10.1772 11.1088 11.1146 12.7494 12.7572 13.1176 13.1208 14.9015 14.9030 15.0144 15.0152 k = 0.0000 0.5259 0.0473 ( 4608 PWs) bands (ev): -14.5339 -14.5338 -14.1385 -14.1383 -13.2546 -13.2545 -12.9304 -12.9291 -12.6137 -12.6131 -12.2915 -12.2894 -11.9423 -11.9405 -11.8428 -11.8422 -2.8743 -2.8738 -2.5370 -2.5362 -2.1215 -2.1208 -1.2975 -1.2945 -0.9635 -0.9589 -0.3554 -0.3540 0.2327 0.2337 0.4405 0.4410 1.3324 1.3362 1.5479 1.5480 1.8649 1.8731 2.1794 2.1846 2.4584 2.4603 2.6943 2.6993 3.0100 3.0137 3.1874 3.1921 3.5217 3.5247 3.7445 3.7458 4.1944 4.1979 4.4236 4.4326 4.6419 4.6496 4.9114 4.9133 5.5867 5.5882 5.8725 5.8731 10.2025 10.2043 11.0463 11.0521 12.7982 12.8062 13.1078 13.1112 14.8874 14.8886 15.0026 15.0035 k = 0.0000 0.5283 0.0596 ( 4606 PWs) bands (ev): -14.5385 -14.5384 -14.1303 -14.1301 -13.2596 -13.2595 -12.9418 -12.9406 -12.6114 -12.6109 -12.2753 -12.2732 -11.9438 -11.9419 -11.8455 -11.8449 -2.8727 -2.8721 -2.5447 -2.5439 -2.1384 -2.1377 -1.2837 -1.2806 -0.9642 -0.9595 -0.3281 -0.3267 0.2415 0.2424 0.4171 0.4176 1.3188 1.3227 1.5559 1.5561 1.8626 1.8703 2.1985 2.2033 2.4795 2.4808 2.6850 2.6897 2.9936 2.9975 3.1714 3.1760 3.5219 3.5248 3.7380 3.7391 4.1964 4.1999 4.4360 4.4447 4.6493 4.6568 4.9101 4.9121 5.5879 5.5894 5.8607 5.8613 10.2308 10.2326 10.9850 10.9907 12.8446 12.8528 13.0972 13.1009 14.8736 14.8745 14.9910 14.9919 k = 0.0000 0.5308 0.0719 ( 4601 PWs) bands (ev): -14.5433 -14.5432 -14.1218 -14.1215 -13.2649 -13.2648 -12.9525 -12.9513 -12.6092 -12.6088 -12.2595 -12.2574 -11.9456 -11.9437 -11.8481 -11.8474 -2.8706 -2.8701 -2.5529 -2.5520 -2.1545 -2.1537 -1.2701 -1.2668 -0.9654 -0.9606 -0.3002 -0.2988 0.2505 0.2514 0.3928 0.3933 1.3054 1.3093 1.5632 1.5635 1.8613 1.8686 2.2176 2.2221 2.4979 2.4983 2.6784 2.6823 2.9773 2.9813 3.1558 3.1605 3.5215 3.5243 3.7320 3.7329 4.1964 4.1999 4.4496 4.4578 4.6564 4.6635 4.9087 4.9109 5.5894 5.5909 5.8492 5.8497 10.2601 10.2619 10.9255 10.9312 12.8881 12.8964 13.0863 13.0901 14.8600 14.8606 14.9797 14.9806 k = 0.0000 0.5333 0.0841 ( 4606 PWs) bands (ev): -14.5484 -14.5482 -14.1130 -14.1128 -13.2704 -13.2703 -12.9622 -12.9611 -12.6070 -12.6067 -12.2443 -12.2422 -11.9477 -11.9458 -11.8505 -11.8497 -2.8680 -2.8674 -2.5616 -2.5607 -2.1693 -2.1685 -1.2566 -1.2533 -0.9672 -0.9623 -0.2718 -0.2704 0.2596 0.2605 0.3677 0.3682 1.2925 1.2965 1.5696 1.5700 1.8612 1.8680 2.2368 2.2410 2.5107 2.5117 2.6763 2.6789 2.9613 2.9654 3.1409 3.1455 3.5207 3.5235 3.7267 3.7273 4.1949 4.1984 4.4635 4.4711 4.6633 4.6699 4.9073 4.9097 5.5912 5.5926 5.8379 5.8383 10.2896 10.2914 10.8686 10.8741 12.9277 12.9361 13.0756 13.0794 14.8468 14.8471 14.9690 14.9699 k = 0.5000 0.4593 0.2838 ( 4558 PWs) bands (ev): -13.8360 -13.8358 -13.5639 -13.5638 -13.2171 -13.2168 -12.9349 -12.9340 -12.7938 -12.7929 -12.7781 -12.7772 -12.5807 -12.5796 -12.2222 -12.2220 -3.7105 -3.7103 -2.6185 -2.6173 -2.0154 -2.0141 -0.7620 -0.7612 -0.3885 -0.3867 -0.1880 -0.1862 0.0343 0.0371 0.5394 0.5402 1.2020 1.2049 1.2438 1.2462 1.6160 1.6225 2.0996 2.1030 2.3415 2.3437 2.8428 2.8457 3.3225 3.3265 3.6724 3.6755 3.8560 3.8584 4.1698 4.1736 4.2701 4.2722 4.5364 4.5378 4.7678 4.7704 4.9135 4.9175 5.5175 5.5264 5.7683 5.7750 10.6914 10.6930 11.5212 11.5244 12.1939 12.1994 12.8423 12.8461 13.5697 13.5701 14.8077 14.8099 k = 0.5000 0.4461 0.2838 ( 4560 PWs) bands (ev): -13.8369 -13.8366 -13.5922 -13.5921 -13.2107 -13.2105 -12.9438 -12.9427 -12.7871 -12.7859 -12.7616 -12.7604 -12.5699 -12.5687 -12.2206 -12.2205 -3.7114 -3.7111 -2.6046 -2.6033 -2.0253 -2.0241 -0.7566 -0.7559 -0.3945 -0.3926 -0.2032 -0.2014 0.0412 0.0442 0.5480 0.5489 1.1745 1.1782 1.2645 1.2693 1.6299 1.6372 2.0916 2.0951 2.3423 2.3451 2.8349 2.8382 3.3062 3.3113 3.6931 3.6972 3.8499 3.8528 4.1574 4.1624 4.2668 4.2696 4.5281 4.5293 4.7849 4.7883 4.9195 4.9238 5.5043 5.5137 5.7670 5.7740 10.6772 10.6788 11.5562 11.5593 12.1468 12.1524 12.8766 12.8803 13.5597 13.5603 14.8171 14.8200 k = 0.5000 0.4330 0.2838 ( 4560 PWs) bands (ev): -13.8407 -13.8403 -13.6214 -13.6214 -13.2060 -13.2059 -12.9532 -12.9519 -12.7800 -12.7789 -12.7414 -12.7403 -12.5557 -12.5543 -12.2188 -12.2187 -3.7107 -3.7103 -2.5902 -2.5888 -2.0356 -2.0344 -0.7510 -0.7503 -0.4001 -0.3980 -0.2200 -0.2182 0.0468 0.0499 0.5556 0.5567 1.1449 1.1488 1.2896 1.2952 1.6450 1.6530 2.0851 2.0892 2.3441 2.3476 2.8261 2.8299 3.2877 3.2937 3.7097 3.7147 3.8446 3.8481 4.1439 4.1502 4.2625 4.2659 4.5166 4.5177 4.8064 4.8105 4.9274 4.9320 5.4891 5.4989 5.7650 5.7725 10.6630 10.6648 11.5919 11.5948 12.0988 12.1046 12.9104 12.9141 13.5515 13.5523 14.8275 14.8311 k = 0.5000 0.4199 0.2838 ( 4564 PWs) bands (ev): -13.8472 -13.8467 -13.6513 -13.6513 -13.2029 -13.2028 -12.9628 -12.9615 -12.7729 -12.7718 -12.7180 -12.7170 -12.5387 -12.5371 -12.2169 -12.2167 -3.7083 -3.7079 -2.5754 -2.5740 -2.0462 -2.0451 -0.7449 -0.7443 -0.4057 -0.4035 -0.2380 -0.2363 0.0509 0.0541 0.5622 0.5634 1.1166 1.1204 1.3156 1.3215 1.6611 1.6697 2.0803 2.0851 2.3468 2.3510 2.8166 2.8207 3.2674 3.2743 3.7197 3.7251 3.8412 3.8453 4.1313 4.1387 4.2572 4.2612 4.5026 4.5037 4.8313 4.8359 4.9368 4.9416 5.4714 5.4817 5.7630 5.7707 10.6491 10.6510 11.6280 11.6309 12.0500 12.0559 12.9437 12.9473 13.5454 13.5463 14.8387 14.8430 k = 0.5000 0.4068 0.2838 ( 4566 PWs) bands (ev): -13.8563 -13.8558 -13.6815 -13.6814 -13.2011 -13.2010 -12.9727 -12.9713 -12.7660 -12.7650 -12.6914 -12.6906 -12.5193 -12.5177 -12.2146 -12.2145 -3.7043 -3.7038 -2.5602 -2.5588 -2.0573 -2.0562 -0.7386 -0.7380 -0.4120 -0.4096 -0.2566 -0.2548 0.0534 0.0568 0.5676 0.5690 1.0905 1.0942 1.3414 1.3477 1.6780 1.6872 2.0773 2.0829 2.3503 2.3553 2.8064 2.8109 3.2456 3.2532 3.7217 3.7269 3.8398 3.8440 4.1218 4.1300 4.2509 4.2554 4.4864 4.4875 4.8587 4.8636 4.9473 4.9524 5.4513 5.4620 5.7611 5.7691 10.6355 10.6376 11.6644 11.6673 12.0006 12.0066 12.9763 12.9799 13.5416 13.5427 14.8507 14.8557 k = 0.5000 0.3936 0.2838 ( 4572 PWs) bands (ev): -13.8679 -13.8673 -13.7115 -13.7114 -13.2003 -13.2002 -12.9827 -12.9813 -12.7594 -12.7585 -12.6621 -12.6613 -12.4982 -12.4966 -12.2119 -12.2118 -3.6987 -3.6981 -2.5447 -2.5432 -2.0689 -2.0679 -0.7318 -0.7312 -0.4199 -0.4173 -0.2749 -0.2730 0.0546 0.0581 0.5719 0.5734 1.0673 1.0708 1.3666 1.3732 1.6956 1.7054 2.0762 2.0825 2.3547 2.3604 2.7957 2.8004 3.2225 3.2307 3.7165 3.7212 3.8382 3.8421 4.1171 4.1259 4.2436 4.2486 4.4683 4.4695 4.8877 4.8928 4.9587 4.9641 5.4287 5.4396 5.7597 5.7677 10.6223 10.6246 11.7011 11.7038 11.9507 11.9567 13.0078 13.0114 13.5406 13.5418 14.8633 14.8690 k = 0.5000 0.3805 0.2838 ( 4574 PWs) bands (ev): -13.8819 -13.8812 -13.7412 -13.7411 -13.2003 -13.2001 -12.9927 -12.9913 -12.7532 -12.7523 -12.6303 -12.6297 -12.4761 -12.4744 -12.2087 -12.2085 -3.6914 -3.6907 -2.5288 -2.5273 -2.0813 -2.0802 -0.7247 -0.7240 -0.4304 -0.4276 -0.2919 -0.2898 0.0547 0.0583 0.5751 0.5767 1.0474 1.0507 1.3909 1.3977 1.7139 1.7242 2.0768 2.0838 2.3600 2.3663 2.7845 2.7896 3.1982 3.2069 3.7060 3.7102 3.8336 3.8369 4.1183 4.1273 4.2355 4.2410 4.4486 4.4501 4.9173 4.9223 4.9712 4.9767 5.4035 5.4148 5.7588 5.7669 10.6096 10.6121 11.7376 11.7403 11.9005 11.9066 13.0381 13.0417 13.5427 13.5441 14.8764 14.8827 k = 0.5000 0.3674 0.2838 ( 4576 PWs) bands (ev): -13.8980 -13.8973 -13.7702 -13.7701 -13.2008 -13.2005 -13.0027 -13.0013 -12.7472 -12.7463 -12.5965 -12.5959 -12.4534 -12.4518 -12.2047 -12.2045 -3.6824 -3.6817 -2.5127 -2.5112 -2.0944 -2.0932 -0.7174 -0.7167 -0.4446 -0.4418 -0.3065 -0.3042 0.0540 0.0577 0.5770 0.5787 1.0311 1.0342 1.4139 1.4208 1.7329 1.7436 2.0793 2.0868 2.3661 2.3730 2.7729 2.7783 3.1728 3.1818 3.6921 3.6958 3.8244 3.8269 4.1252 4.1340 4.2268 4.2326 4.4275 4.4293 4.9457 4.9500 4.9862 4.9913 5.3762 5.3878 5.7585 5.7666 10.5975 10.6002 11.7734 11.7762 11.8508 11.8568 13.0666 13.0703 13.5484 13.5499 14.8898 14.8968 k = 0.5000 0.3543 0.2838 ( 4574 PWs) bands (ev): -13.9162 -13.9154 -13.7984 -13.7982 -13.2017 -13.2014 -13.0126 -13.0112 -12.7414 -12.7406 -12.5612 -12.5606 -12.4309 -12.4292 -12.1997 -12.1995 -3.6718 -3.6710 -2.4965 -2.4950 -2.1084 -2.1071 -0.7102 -0.7093 -0.4631 -0.4603 -0.3182 -0.3155 0.0531 0.0568 0.5778 0.5797 1.0186 1.0214 1.4354 1.4422 1.7523 1.7635 2.0835 2.0914 2.3732 2.3807 2.7611 2.7668 3.1464 3.1556 3.6762 3.6794 3.8108 3.8123 4.1360 4.1448 4.2178 4.2240 4.4053 4.4075 4.9684 4.9719 5.0071 5.0112 5.3471 5.3590 5.7588 5.7668 10.5860 10.5888 11.7914 11.7968 11.8199 11.8209 13.0932 13.0970 13.5583 13.5598 14.9034 14.9110 k = 0.5000 0.3412 0.2838 ( 4572 PWs) bands (ev): -13.9361 -13.9353 -13.8254 -13.8252 -13.2029 -13.2025 -13.0224 -13.0210 -12.7359 -12.7351 -12.5246 -12.5240 -12.4089 -12.4072 -12.1935 -12.1933 -3.6595 -3.6586 -2.4802 -2.4786 -2.1232 -2.1218 -0.7036 -0.7025 -0.4854 -0.4828 -0.3271 -0.3241 0.0524 0.0561 0.5776 0.5795 1.0097 1.0123 1.4550 1.4619 1.7721 1.7836 2.0894 2.0976 2.3813 2.3892 2.7490 2.7550 3.1192 3.1284 3.6589 3.6618 3.7937 3.7943 4.1481 4.1571 4.2093 4.2156 4.3825 4.3851 4.9818 4.9866 5.0345 5.0390 5.3168 5.3291 5.7596 5.7675 10.5751 10.5781 11.7460 11.7524 11.8501 11.8521 13.1173 13.1213 13.5726 13.5741 14.9171 14.9253 k = 0.5000 0.3280 0.2838 ( 4574 PWs) bands (ev): -13.9576 -13.9568 -13.8513 -13.8511 -13.2042 -13.2038 -13.0320 -13.0306 -12.7305 -12.7298 -12.4872 -12.4865 -12.3881 -12.3864 -12.1856 -12.1853 -3.6455 -3.6446 -2.4639 -2.4624 -2.1388 -2.1373 -0.6986 -0.6972 -0.5099 -0.5077 -0.3339 -0.3306 0.0526 0.0563 0.5765 0.5784 1.0045 1.0068 1.4728 1.4796 1.7920 1.8038 2.0970 2.1052 2.3904 2.3988 2.7367 2.7431 3.0915 3.1005 3.6407 3.6432 3.7740 3.7745 4.1576 4.1671 4.2031 4.2093 4.3597 4.3629 4.9893 4.9955 5.0657 5.0709 5.2865 5.2991 5.7607 5.7684 10.5648 10.5681 11.6960 11.7025 11.8856 11.8877 13.1389 13.1430 13.5917 13.5932 14.9308 14.9394 k = 0.5000 0.3149 0.2838 ( 4572 PWs) bands (ev): -13.9803 -13.9795 -13.8759 -13.8757 -13.2056 -13.2052 -13.0414 -13.0400 -12.7254 -12.7247 -12.4494 -12.4486 -12.3689 -12.3672 -12.1759 -12.1755 -3.6300 -3.6289 -2.4479 -2.4464 -2.1552 -2.1535 -0.6973 -0.6954 -0.5338 -0.5322 -0.3396 -0.3360 0.0543 0.0580 0.5744 0.5763 1.0026 1.0047 1.4888 1.4953 1.8116 1.8237 2.1061 2.1143 2.4005 2.4093 2.7242 2.7311 3.0636 3.0722 3.6218 3.6241 3.7528 3.7540 4.1595 4.1689 4.2028 4.2074 4.3385 4.3423 4.9926 4.9997 5.0980 5.1040 5.2575 5.2705 5.7620 5.7696 10.5552 10.5587 11.6460 11.6525 11.9212 11.9232 13.1579 13.1622 13.6157 13.6172 14.9442 14.9534 k = 0.5000 0.3018 0.2838 ( 4572 PWs) bands (ev): -14.0038 -14.0031 -13.8995 -13.8992 -13.2071 -13.2066 -13.0506 -13.0493 -12.7203 -12.7197 -12.4120 -12.4110 -12.3513 -12.3495 -12.1639 -12.1635 -3.6128 -3.6117 -2.4325 -2.4310 -2.1722 -2.1703 -0.7031 -0.7005 -0.5533 -0.5521 -0.3449 -0.3411 0.0579 0.0616 0.5716 0.5734 1.0039 1.0057 1.5029 1.5091 1.8304 1.8427 2.1169 2.1248 2.4117 2.4208 2.7114 2.7188 3.0361 3.0440 3.6022 3.6042 3.7315 3.7334 4.1527 4.1615 4.2055 4.2081 4.3216 4.3257 4.9915 4.9991 5.1290 5.1358 5.2327 5.2459 5.7634 5.7708 10.5463 10.5500 11.5963 11.6028 11.9564 11.9584 13.1745 13.1789 13.6445 13.6459 14.9574 14.9669 k = 0.5000 0.2887 0.2838 ( 4568 PWs) bands (ev): -14.0280 -14.0273 -13.9219 -13.9216 -13.2086 -13.2081 -13.0595 -13.0582 -12.7155 -12.7148 -12.3762 -12.3749 -12.3345 -12.3325 -12.1497 -12.1492 -3.5939 -3.5928 -2.4179 -2.4165 -2.1893 -2.1874 -0.7197 -0.7164 -0.5642 -0.5629 -0.3503 -0.3462 0.0640 0.0676 0.5680 0.5697 1.0080 1.0097 1.5152 1.5211 1.8478 1.8605 2.1293 2.1368 2.4237 2.4331 2.6984 2.7064 3.0093 3.0165 3.5817 3.5836 3.7110 3.7133 4.1405 4.1491 4.2033 4.2041 4.3123 4.3165 4.9851 4.9929 5.1530 5.1607 5.2196 5.2311 5.7646 5.7718 10.5381 10.5420 11.5472 11.5538 11.9911 11.9930 13.1888 13.1934 13.6777 13.6791 14.9701 14.9799 k = 0.5000 0.2756 0.2838 ( 4568 PWs) bands (ev): -14.0522 -14.0516 -13.9434 -13.9431 -13.2101 -13.2096 -13.0682 -13.0670 -12.7108 -12.7101 -12.3467 -12.3452 -12.3139 -12.3119 -12.1334 -12.1327 -3.5735 -3.5723 -2.4050 -2.4036 -2.2061 -2.2039 -0.7476 -0.7439 -0.5652 -0.5636 -0.3561 -0.3518 0.0727 0.0763 0.5636 0.5652 1.0147 1.0162 1.5259 1.5315 1.8635 1.8764 2.1433 2.1504 2.4366 2.4462 2.6851 2.6936 2.9840 2.9901 3.5602 3.5621 3.6916 3.6944 4.1249 4.1331 4.1920 4.1929 4.3119 4.3160 4.9728 4.9804 5.1588 5.1668 5.2318 5.2377 5.7656 5.7726 10.5306 10.5347 11.4988 11.5054 12.0251 12.0269 13.2014 13.2061 13.7149 13.7163 14.9822 14.9922 k = 0.5000 0.2624 0.2838 ( 4566 PWs) bands (ev): -14.0764 -14.0758 -13.9640 -13.9637 -13.2115 -13.2110 -13.0767 -13.0755 -12.7062 -12.7056 -12.3289 -12.3280 -12.2835 -12.2822 -12.1152 -12.1145 -3.5516 -3.5504 -2.3949 -2.3935 -2.2212 -2.2189 -0.7844 -0.7805 -0.5585 -0.5567 -0.3623 -0.3576 0.0841 0.0876 0.5584 0.5598 1.0237 1.0252 1.5353 1.5404 1.8768 1.8900 2.1589 2.1656 2.4499 2.4597 2.6716 2.6807 2.9607 2.9656 3.5377 3.5398 3.6737 3.6769 4.1058 4.1134 4.1750 4.1767 4.3174 4.3214 4.9546 4.9615 5.1522 5.1604 5.2604 5.2632 5.7663 5.7730 10.5238 10.5281 11.4514 11.4579 12.0583 12.0601 13.2126 13.2173 13.7557 13.7571 14.9935 15.0037 k = 0.5000 0.2493 0.2838 ( 4574 PWs) bands (ev): -14.1003 -14.0996 -13.9837 -13.9834 -13.2129 -13.2123 -13.0849 -13.0837 -12.7018 -12.7012 -12.3188 -12.3183 -12.2482 -12.2473 -12.0957 -12.0949 -3.5281 -3.5268 -2.3891 -2.3879 -2.2332 -2.2307 -0.8269 -0.8231 -0.5469 -0.5450 -0.3685 -0.3637 0.0980 0.1015 0.5523 0.5536 1.0350 1.0364 1.5433 1.5480 1.8874 1.9008 2.1758 2.1821 2.4632 2.4731 2.6582 2.6677 2.9399 2.9436 3.5143 3.5167 3.6573 3.6608 4.0830 4.0893 4.1571 4.1586 4.3250 4.3291 4.9316 4.9376 5.1454 5.1529 5.2929 5.2952 5.7664 5.7730 10.5178 10.5222 11.4049 11.4114 12.0905 12.0923 13.2227 13.2275 13.7996 13.8009 15.0038 15.0139 k = 0.5000 0.2362 0.2838 ( 4570 PWs) bands (ev): -14.1235 -14.1229 -14.0026 -14.0024 -13.2142 -13.2137 -13.0928 -13.0916 -12.6976 -12.6970 -12.3122 -12.3118 -12.2120 -12.2114 -12.0752 -12.0744 -3.5032 -3.5019 -2.3898 -2.3886 -2.2398 -2.2371 -0.8734 -0.8696 -0.5325 -0.5305 -0.3744 -0.3694 0.1143 0.1177 0.5454 0.5463 1.0483 1.0497 1.5503 1.5545 1.8952 1.9087 2.1937 2.1996 2.4758 2.4858 2.6458 2.6554 2.9222 2.9246 3.4903 3.4930 3.6422 3.6461 4.0565 4.0611 4.1402 4.1410 4.3324 4.3366 4.9055 4.9106 5.1406 5.1471 5.3264 5.3286 5.7661 5.7724 10.5125 10.5171 11.3596 11.3661 12.1218 12.1236 13.2323 13.2370 13.8460 13.8474 15.0128 15.0227 k = 0.5000 0.2231 0.2838 ( 4572 PWs) bands (ev): -14.1461 -14.1455 -14.0208 -14.0205 -13.2154 -13.2149 -13.1004 -13.0993 -12.6935 -12.6930 -12.3075 -12.3072 -12.1762 -12.1757 -12.0542 -12.0534 -3.4769 -3.4755 -2.3981 -2.3969 -2.2398 -2.2370 -0.9226 -0.9189 -0.5166 -0.5146 -0.3793 -0.3742 0.1326 0.1360 0.5374 0.5381 1.0635 1.0648 1.5563 1.5601 1.9000 1.9135 2.2120 2.2175 2.4868 2.4967 2.6356 2.6448 2.9076 2.9090 3.4659 3.4690 3.6281 3.6323 4.0270 4.0301 4.1246 4.1250 4.3382 4.3424 4.8781 4.8825 5.1374 5.1430 5.3598 5.3621 5.7652 5.7712 10.5079 10.5127 11.3155 11.3220 12.1520 12.1537 13.2414 13.2461 13.8945 13.8959 15.0203 15.0297 k = 0.5000 0.2099 0.2838 ( 4574 PWs) bands (ev): -14.1677 -14.1672 -14.0380 -14.0378 -13.2166 -13.2160 -13.1077 -13.1066 -12.6896 -12.6891 -12.3042 -12.3039 -12.1413 -12.1409 -12.0331 -12.0323 -3.4492 -3.4478 -2.4135 -2.4123 -2.2336 -2.2309 -0.9738 -0.9701 -0.5006 -0.4985 -0.3822 -0.3771 0.1526 0.1560 0.5283 0.5287 1.0804 1.0818 1.5615 1.5649 1.9019 1.9153 2.2295 2.2348 2.4950 2.5044 2.6294 2.6377 2.8959 2.8973 3.4417 3.4450 3.6143 3.6189 3.9956 3.9977 4.1095 4.1106 4.3414 4.3457 4.8511 4.8549 5.1353 5.1400 5.3928 5.3951 5.7637 5.7695 10.5041 10.5090 11.2728 11.2793 12.1810 12.1827 13.2503 13.2549 13.9448 13.9462 15.0256 15.0342 k = 0.5000 0.1968 0.2838 ( 4574 PWs) bands (ev): -14.1884 -14.1880 -14.0545 -14.0542 -13.2176 -13.2171 -13.1146 -13.1137 -12.6860 -12.6855 -12.3018 -12.3015 -12.1076 -12.1072 -12.0122 -12.0114 -3.4202 -3.4188 -2.4342 -2.4329 -2.2229 -2.2202 -1.0263 -1.0227 -0.4860 -0.4840 -0.3816 -0.3767 0.1739 0.1773 0.5180 0.5182 1.0991 1.1004 1.5660 1.5690 1.9012 1.9143 2.2451 2.2501 2.5000 2.5085 2.6290 2.6359 2.8871 2.8893 3.4178 3.4214 3.6004 3.6053 3.9632 3.9653 4.0953 4.0969 4.3415 4.3458 4.8258 4.8293 5.1337 5.1377 5.4249 5.4271 5.7616 5.7671 10.5011 10.5061 11.2317 11.2380 12.2087 12.2103 13.2591 13.2636 13.9962 13.9977 15.0284 15.0358 k = 0.5000 0.1837 0.2838 ( 4582 PWs) bands (ev): -14.2081 -14.2077 -14.0700 -14.0698 -13.2186 -13.2181 -13.1213 -13.1204 -12.6825 -12.6820 -12.3000 -12.2998 -12.0754 -12.0750 -11.9916 -11.9908 -3.3901 -3.3887 -2.4586 -2.4573 -2.2092 -2.2064 -1.0797 -1.0761 -0.4747 -0.4729 -0.3756 -0.3712 0.1961 0.1994 0.5065 0.5068 1.1193 1.1206 1.5699 1.5725 1.8981 1.9108 2.2568 2.2618 2.5027 2.5098 2.6344 2.6402 2.8810 2.8841 3.3949 3.3987 3.5856 3.5907 3.9313 3.9341 4.0816 4.0838 4.3380 4.3423 4.8033 4.8065 5.1322 5.1357 5.4559 5.4581 5.7590 5.7642 10.4988 10.5038 11.1921 11.1984 12.2349 12.2365 13.2679 13.2722 14.0486 14.0501 15.0278 15.0336 k = 0.5000 0.1706 0.2838 ( 4580 PWs) bands (ev): -14.2266 -14.2262 -14.0847 -14.0844 -13.2195 -13.2189 -13.1276 -13.1267 -12.6792 -12.6787 -12.2988 -12.2986 -12.0448 -12.0445 -11.9716 -11.9708 -3.3589 -3.3574 -2.4854 -2.4842 -2.1934 -2.1906 -1.1336 -1.1301 -0.4680 -0.4665 -0.3631 -0.3594 0.2185 0.2219 0.4938 0.4943 1.1409 1.1423 1.5732 1.5755 1.8927 1.9049 2.2629 2.2683 2.5059 2.5113 2.6446 2.6500 2.8773 2.8813 3.3733 3.3772 3.5690 3.5744 3.9013 3.9048 4.0684 4.0709 4.3308 4.3350 4.7843 4.7871 5.1308 5.1337 5.4856 5.4878 5.7559 5.7609 10.4973 10.5023 11.1543 11.1605 12.2597 12.2613 13.2768 13.2808 14.1015 14.1030 15.0232 15.0271 k = 0.5000 0.1575 0.2838 ( 4582 PWs) bands (ev): -14.2440 -14.2436 -14.0984 -14.0982 -13.2202 -13.2197 -13.1336 -13.1327 -12.6761 -12.6756 -12.2980 -12.2978 -12.0160 -12.0158 -11.9523 -11.9515 -3.3266 -3.3252 -2.5140 -2.5128 -2.1763 -2.1735 -1.1876 -1.1841 -0.4656 -0.4641 -0.3448 -0.3418 0.2408 0.2442 0.4800 0.4809 1.1639 1.1654 1.5759 1.5780 1.8855 1.8971 2.2621 2.2683 2.5123 2.5159 2.6580 2.6634 2.8754 2.8802 3.3534 3.3573 3.5500 3.5554 3.8742 3.8783 4.0554 4.0582 4.3201 4.3242 4.7691 4.7716 5.1292 5.1317 5.5139 5.5160 5.7524 5.7571 10.4965 10.5015 11.1183 11.1244 12.2829 12.2844 13.2856 13.2893 14.1544 14.1560 15.0142 15.0160 k = 0.5000 0.1443 0.2838 ( 4580 PWs) bands (ev): -14.2601 -14.2597 -14.1111 -14.1109 -13.2209 -13.2203 -13.1392 -13.1384 -12.6732 -12.6728 -12.2975 -12.2973 -11.9894 -11.9891 -11.9337 -11.9330 -3.2935 -3.2921 -2.5438 -2.5426 -2.1581 -2.1553 -1.2414 -1.2379 -0.4661 -0.4644 -0.3223 -0.3199 0.2624 0.2658 0.4656 0.4668 1.1882 1.1897 1.5780 1.5800 1.8766 1.8874 2.2545 2.2617 2.5230 2.5255 2.6736 2.6792 2.8745 2.8800 3.3358 3.3396 3.5281 3.5333 3.8511 3.8555 4.0426 4.0456 4.3062 4.3103 4.7576 4.7598 5.1274 5.1296 5.5405 5.5425 5.7486 5.7530 10.4964 10.5014 11.0844 11.0902 12.3044 12.3059 13.2943 13.2978 14.2071 14.2087 15.0003 15.0013 k = 0.5000 0.1312 0.2838 ( 4584 PWs) bands (ev): -14.2749 -14.2746 -14.1229 -14.1227 -13.2214 -13.2209 -13.1444 -13.1437 -12.6705 -12.6702 -12.2971 -12.2970 -11.9651 -11.9648 -11.9160 -11.9153 -3.2597 -3.2582 -2.5745 -2.5734 -2.1391 -2.1363 -1.2944 -1.2909 -0.4680 -0.4663 -0.2971 -0.2951 0.2823 0.2858 0.4510 0.4525 1.2136 1.2152 1.5792 1.5814 1.8663 1.8763 2.2416 2.2494 2.5377 2.5400 2.6905 2.6963 2.8740 2.8800 3.3207 3.3244 3.5030 3.5079 3.8322 3.8368 4.0298 4.0330 4.2900 4.2939 4.7496 4.7514 5.1254 5.1273 5.5654 5.5673 5.7445 5.7486 10.4969 10.5018 11.0525 11.0581 12.3242 12.3256 13.3028 13.3061 14.2591 14.2607 14.9822 14.9842 k = 0.5000 0.1181 0.2838 ( 4580 PWs) bands (ev): -14.2884 -14.2881 -14.1336 -14.1334 -13.2218 -13.2213 -13.1492 -13.1485 -12.6681 -12.6678 -12.2970 -12.2969 -11.9432 -11.9430 -11.8990 -11.8984 -3.2252 -3.2237 -2.6058 -2.6047 -2.1195 -2.1166 -1.3464 -1.3430 -0.4704 -0.4687 -0.2703 -0.2686 0.2996 0.3032 0.4370 0.4390 1.2400 1.2416 1.5796 1.5820 1.8550 1.8640 2.2252 2.2332 2.5555 2.5583 2.7082 2.7141 2.8733 2.8795 3.3085 3.3119 3.4751 3.4793 3.8178 3.8222 4.0171 4.0204 4.2723 4.2760 4.7444 4.7460 5.1232 5.1249 5.5883 5.5902 5.7404 5.7442 10.4980 10.5028 11.0228 11.0282 12.3422 12.3436 13.3111 13.3141 14.3100 14.3116 14.9618 14.9648 k = 0.5000 0.1050 0.2838 ( 4586 PWs) bands (ev): -14.3005 -14.3003 -14.1432 -14.1431 -13.2221 -13.2217 -13.1536 -13.1530 -12.6659 -12.6656 -12.2970 -12.2969 -11.9240 -11.9238 -11.8830 -11.8825 -3.1902 -3.1888 -2.6376 -2.6365 -2.0993 -2.0964 -1.3968 -1.3935 -0.4731 -0.4714 -0.2427 -0.2413 0.3124 0.3160 0.4255 0.4277 1.2672 1.2689 1.5787 1.5814 1.8430 1.8510 2.2070 2.2149 2.5755 2.5789 2.7263 2.7321 2.8718 2.8782 3.2993 3.3024 3.4449 3.4485 3.8074 3.8115 4.0045 4.0078 4.2540 4.2576 4.7416 4.7429 5.1209 5.1224 5.6093 5.6110 5.7363 5.7397 10.4997 10.5042 10.9956 11.0006 12.3585 12.3597 13.3190 13.3216 14.3592 14.3609 14.9404 14.9441 k = 0.5000 0.0919 0.2838 ( 4590 PWs) bands (ev): -14.3113 -14.3111 -14.1518 -14.1517 -13.2223 -13.2219 -13.1576 -13.1570 -12.6640 -12.6637 -12.2970 -12.2969 -11.9074 -11.9073 -11.8681 -11.8676 -3.1549 -3.1535 -2.6697 -2.6687 -2.0786 -2.0758 -1.4452 -1.4420 -0.4756 -0.4741 -0.2150 -0.2137 0.3184 0.3219 0.4189 0.4212 1.2950 1.2970 1.5762 1.5794 1.8307 1.8376 2.1884 2.1958 2.5970 2.6008 2.7439 2.7494 2.8695 2.8758 3.2930 3.2956 3.4135 3.4164 3.8004 3.8041 3.9919 3.9952 4.2360 4.2394 4.7405 4.7416 5.1186 5.1199 5.6280 5.6298 5.7322 5.7354 10.5017 10.5060 10.9709 10.9755 12.3728 12.3739 13.3264 13.3287 14.4065 14.4081 14.9185 14.9226 k = 0.5000 0.0787 0.2838 ( 4594 PWs) bands (ev): -14.3207 -14.3205 -14.1593 -14.1592 -13.2225 -13.2221 -13.1611 -13.1606 -12.6623 -12.6621 -12.2971 -12.2970 -11.8935 -11.8933 -11.8544 -11.8540 -3.1194 -3.1180 -2.7022 -2.7012 -2.0578 -2.0550 -1.4911 -1.4880 -0.4778 -0.4765 -0.1878 -0.1867 0.3163 0.3191 0.4188 0.4207 1.3233 1.3254 1.5718 1.5755 1.8186 1.8244 2.1706 2.1773 2.6190 2.6232 2.7602 2.7651 2.8669 2.8728 3.2890 3.2911 3.3823 3.3846 3.7961 3.7994 3.9797 3.9828 4.2191 4.2222 4.7406 4.7415 5.1163 5.1174 5.6446 5.6463 5.7283 5.7312 10.5041 10.5079 10.9489 10.9532 12.3853 12.3863 13.3332 13.3352 14.4511 14.4528 14.8969 14.9011 k = 0.5000 0.0656 0.2838 ( 4596 PWs) bands (ev): -14.3287 -14.3285 -14.1656 -14.1655 -13.2225 -13.2222 -13.1641 -13.1637 -12.6608 -12.6607 -12.2972 -12.2971 -11.8819 -11.8818 -11.8423 -11.8419 -3.0838 -3.0825 -2.7349 -2.7339 -2.0370 -2.0344 -1.5336 -1.5307 -0.4797 -0.4786 -0.1619 -0.1609 0.3074 0.3096 0.4238 0.4252 1.3518 1.3541 1.5650 1.5690 1.8073 1.8120 2.1544 2.1602 2.6412 2.6456 2.7734 2.7772 2.8654 2.8704 3.2861 3.2876 3.3532 3.3550 3.7939 3.7967 3.9680 3.9709 4.2040 4.2068 4.7415 4.7421 5.1142 5.1151 5.6589 5.6606 5.7248 5.7274 10.5065 10.5100 10.9299 10.9336 12.3959 12.3968 13.3392 13.3408 14.4926 14.4942 14.8759 14.8800 k = 0.5000 0.0525 0.2838 ( 4604 PWs) bands (ev): -14.3352 -14.3351 -14.1708 -14.1708 -13.2226 -13.2223 -13.1667 -13.1663 -12.6596 -12.6595 -12.2973 -12.2973 -11.8727 -11.8726 -11.8320 -11.8317 -3.0484 -3.0471 -2.7677 -2.7668 -2.0169 -2.0145 -1.5719 -1.5692 -0.4813 -0.4803 -0.1380 -0.1372 0.2951 0.2967 0.4309 0.4318 1.3801 1.3828 1.5554 1.5597 1.7974 1.8009 2.1404 2.1451 2.6630 2.6676 2.7809 2.7832 2.8670 2.8704 3.2818 3.2827 3.3294 3.3308 3.7932 3.7954 3.9574 3.9599 4.1912 4.1936 4.7427 4.7432 5.1123 5.1130 5.6709 5.6725 5.7215 5.7238 10.5090 10.5119 10.9140 10.9171 12.4046 12.4053 13.3443 13.3456 14.5301 14.5317 14.8558 14.8598 k = 0.5000 0.0394 0.2838 ( 4608 PWs) bands (ev): -14.3403 -14.3402 -14.1749 -14.1748 -13.2225 -13.2223 -13.1686 -13.1683 -12.6587 -12.6586 -12.2974 -12.2974 -11.8657 -11.8656 -11.8238 -11.8236 -3.0132 -3.0120 -2.8007 -2.7997 -1.9985 -1.9964 -1.6047 -1.6025 -0.4825 -0.4817 -0.1174 -0.1167 0.2822 0.2834 0.4378 0.4385 1.4080 1.4110 1.5427 1.5471 1.7894 1.7919 2.1291 2.1328 2.6843 2.6889 2.7803 2.7822 2.8723 2.8741 3.2721 3.2726 3.3154 3.3165 3.7934 3.7951 3.9482 3.9503 4.1811 4.1829 4.7440 4.7443 5.1107 5.1112 5.6806 5.6821 5.7187 5.7207 10.5113 10.5135 10.9015 10.9040 12.4114 12.4119 13.3484 13.3494 14.5627 14.5642 14.8376 14.8410 k = 0.5000 0.0262 0.2838 ( 4614 PWs) bands (ev): -14.3439 -14.3439 -14.1778 -14.1778 -13.2225 -13.2223 -13.1700 -13.1698 -12.6580 -12.6580 -12.2975 -12.2975 -11.8607 -11.8606 -11.8178 -11.8177 -2.9789 -2.9777 -2.8334 -2.8324 -1.9830 -1.9814 -1.6303 -1.6286 -0.4833 -0.4828 -0.1011 -0.1006 0.2712 0.2720 0.4434 0.4439 1.4350 1.4383 1.5268 1.5312 1.7835 1.7851 2.1210 2.1235 2.7046 2.7092 2.7723 2.7752 2.8795 2.8802 3.2588 3.2590 3.3107 3.3114 3.7940 3.7952 3.9412 3.9427 4.1738 4.1751 4.7451 4.7453 5.1095 5.1098 5.6880 5.6893 5.7163 5.7180 10.5132 10.5147 10.8926 10.8942 12.4163 12.4166 13.3515 13.3521 14.5889 14.5902 14.8222 14.8248 k = 0.5000 0.0131 0.2838 ( 4608 PWs) bands (ev): -14.3461 -14.3461 -14.1795 -14.1795 -13.2224 -13.2223 -13.1709 -13.1708 -12.6576 -12.6576 -12.2976 -12.2975 -11.8577 -11.8577 -11.8141 -11.8141 -2.9466 -2.9456 -2.8646 -2.8637 -1.9723 -1.9715 -1.6467 -1.6458 -0.4837 -0.4835 -0.0906 -0.0904 0.2638 0.2642 0.4471 0.4473 1.4605 1.4641 1.5081 1.5123 1.7801 1.7809 2.1163 2.1175 2.7236 2.7278 2.7600 2.7635 2.8853 2.8856 3.2482 3.2483 3.3098 3.3101 3.7947 3.7953 3.9369 3.9376 4.1696 4.1702 4.7458 4.7459 5.1088 5.1090 5.6929 5.6938 5.7148 5.7158 10.5145 10.5153 10.8873 10.8881 12.4192 12.4194 13.3534 13.3537 14.6065 14.6073 14.8117 14.8131 k = 0.5000-0.0000 0.2838 ( 4612 PWs) bands (ev): -14.3468 -14.3468 -14.1801 -14.1801 -13.2224 -13.2224 -13.1711 -13.1711 -12.6575 -12.6575 -12.2976 -12.2976 -11.8567 -11.8567 -11.8129 -11.8129 -2.9268 -2.9268 -2.8831 -2.8831 -1.9682 -1.9682 -1.6522 -1.6522 -0.4838 -0.4838 -0.0869 -0.0869 0.2613 0.2613 0.4484 0.4484 1.4809 1.4809 1.4939 1.4939 1.7792 1.7792 2.1151 2.1151 2.7380 2.7380 2.7516 2.7516 2.8876 2.8876 3.2443 3.2443 3.3098 3.3098 3.7952 3.7952 3.9357 3.9357 4.1684 4.1684 4.7461 4.7461 5.1086 5.1086 5.6950 5.6950 5.7146 5.7146 10.5153 10.5153 10.8858 10.8858 12.4203 12.4203 13.3542 13.3542 14.6131 14.6131 14.8083 14.8083 k = 0.5000-0.0000 0.2838 ( 4612 PWs) bands (ev): -14.3468 -14.3468 -14.1801 -14.1801 -13.2224 -13.2224 -13.1711 -13.1711 -12.6575 -12.6575 -12.2976 -12.2976 -11.8567 -11.8567 -11.8129 -11.8129 -2.9268 -2.9268 -2.8831 -2.8831 -1.9682 -1.9682 -1.6522 -1.6522 -0.4838 -0.4838 -0.0869 -0.0869 0.2613 0.2613 0.4484 0.4484 1.4809 1.4809 1.4939 1.4939 1.7792 1.7792 2.1151 2.1151 2.7380 2.7380 2.7516 2.7516 2.8876 2.8876 3.2443 3.2443 3.3098 3.3098 3.7952 3.7952 3.9357 3.9357 4.1684 4.1684 4.7461 4.7461 5.1086 5.1086 5.6950 5.6950 5.7146 5.7146 10.5153 10.5153 10.8858 10.8858 12.4203 12.4203 13.3542 13.3542 14.6131 14.6131 14.8083 14.8083 k = 0.5000-0.0000 0.2709 ( 4608 PWs) bands (ev): -14.3494 -14.3494 -14.1769 -14.1768 -13.2265 -13.2261 -13.1676 -13.1670 -12.6582 -12.6582 -12.2978 -12.2977 -11.8567 -11.8566 -11.8127 -11.8127 -2.9329 -2.9322 -2.8768 -2.8761 -1.9693 -1.9689 -1.6513 -1.6506 -0.4865 -0.4859 -0.0865 -0.0863 0.2604 0.2610 0.4500 0.4508 1.4762 1.4795 1.4947 1.4977 1.7798 1.7802 2.1150 2.1156 2.7308 2.7348 2.7500 2.7528 2.8888 2.8897 3.2401 3.2404 3.3157 3.3161 3.7891 3.7898 3.9431 3.9439 4.1685 4.1686 4.7448 4.7452 5.1088 5.1093 5.6849 5.6876 5.7218 5.7243 10.5119 10.5129 10.8891 10.8905 12.4183 12.4191 13.3537 13.3539 14.6115 14.6119 14.8094 14.8098 k = 0.5000-0.0000 0.2580 ( 4606 PWs) bands (ev): -14.3567 -14.3567 -14.1676 -14.1675 -13.2362 -13.2355 -13.1585 -13.1577 -12.6604 -12.6603 -12.2984 -12.2982 -11.8564 -11.8563 -11.8122 -11.8121 -2.9450 -2.9442 -2.8621 -2.8613 -1.9720 -1.9713 -1.6480 -1.6468 -0.4941 -0.4929 -0.0853 -0.0848 0.2583 0.2596 0.4554 0.4569 1.4693 1.4735 1.4987 1.5022 1.7818 1.7825 2.1151 2.1164 2.7164 2.7216 2.7479 2.7512 2.8931 2.8946 3.2310 3.2314 3.3305 3.3311 3.7745 3.7755 3.9634 3.9648 4.1690 4.1692 4.7412 4.7419 5.1098 5.1108 5.6700 5.6732 5.7357 5.7384 10.5031 10.5050 10.9001 10.9029 12.4133 12.4149 13.3526 13.3529 14.6073 14.6081 14.8128 14.8135 k = 0.5000-0.0000 0.2451 ( 4604 PWs) bands (ev): -14.3674 -14.3673 -14.1536 -14.1535 -13.2484 -13.2476 -13.1469 -13.1460 -12.6639 -12.6637 -12.2993 -12.2991 -11.8561 -11.8559 -11.8112 -11.8111 -2.9585 -2.9576 -2.8442 -2.8433 -1.9765 -1.9754 -1.6423 -1.6405 -0.5062 -0.5044 -0.0832 -0.0825 0.2556 0.2574 0.4643 0.4664 1.4615 1.4660 1.5029 1.5064 1.7852 1.7863 2.1154 2.1174 2.6960 2.7016 2.7436 2.7468 2.8999 2.9017 3.2212 3.2219 3.3492 3.3502 3.7558 3.7571 3.9918 3.9935 4.1698 4.1702 4.7354 4.7366 5.1115 5.1131 5.6543 5.6576 5.7502 5.7529 10.4899 10.4924 10.9180 10.9218 12.4050 12.4075 13.3508 13.3512 14.6007 14.6018 14.8182 14.8192 k = 0.5000-0.0000 0.2322 ( 4602 PWs) bands (ev): -14.3801 -14.3800 -14.1362 -14.1361 -13.2618 -13.2610 -13.1343 -13.1333 -12.6687 -12.6685 -12.3006 -12.3003 -11.8556 -11.8554 -11.8099 -11.8098 -2.9720 -2.9711 -2.8246 -2.8236 -1.9826 -1.9812 -1.6343 -1.6320 -0.5226 -0.5203 -0.0807 -0.0798 0.2528 0.2549 0.4758 0.4785 1.4533 1.4579 1.5066 1.5099 1.7898 1.7913 2.1156 2.1182 2.6705 2.6763 2.7375 2.7403 2.9084 2.9103 3.2127 3.2136 3.3696 3.3707 3.7360 3.7374 4.0250 4.0270 4.1711 4.1716 4.7279 4.7294 5.1137 5.1159 5.6382 5.6416 5.7646 5.7672 10.4734 10.4765 10.9415 10.9463 12.3937 12.3969 13.3485 13.3490 14.5922 14.5935 14.8252 14.8263 k = 0.5000-0.0000 0.2193 ( 4598 PWs) bands (ev): -14.3939 -14.3938 -14.1165 -14.1163 -13.2758 -13.2750 -13.1214 -13.1204 -12.6748 -12.6745 -12.3022 -12.3019 -11.8550 -11.8548 -11.8083 -11.8081 -2.9849 -2.9840 -2.8038 -2.8028 -1.9903 -1.9887 -1.6240 -1.6212 -0.5427 -0.5400 -0.0778 -0.0768 0.2502 0.2526 0.4895 0.4925 1.4449 1.4496 1.5099 1.5128 1.7957 1.7974 2.1153 2.1186 2.6411 2.6468 2.7300 2.7327 2.9181 2.9199 3.2058 3.2070 3.3902 3.3916 3.7163 3.7178 4.0609 4.0632 4.1730 4.1736 4.7188 4.7207 5.1164 5.1191 5.6219 5.6254 5.7788 5.7813 10.4548 10.4582 10.9697 10.9751 12.3791 12.3831 13.3457 13.3463 14.5821 14.5835 14.8333 14.8346 k = 0.5000-0.0000 0.2064 ( 4592 PWs) bands (ev): -14.4081 -14.4080 -14.0951 -14.0949 -13.2902 -13.2893 -13.1083 -13.1073 -12.6820 -12.6817 -12.3041 -12.3037 -11.8544 -11.8541 -11.8063 -11.8061 -2.9971 -2.9963 -2.7820 -2.7810 -1.9995 -1.9977 -1.6114 -1.6082 -0.5662 -0.5631 -0.0749 -0.0738 0.2482 0.2507 0.5046 0.5078 1.4365 1.4413 1.5128 1.5154 1.8025 1.8046 2.1141 2.1180 2.6087 2.6144 2.7220 2.7246 2.9285 2.9301 3.2006 3.2022 3.4104 3.4119 3.6973 3.6988 4.0977 4.1004 4.1762 4.1770 4.7085 4.7108 5.1193 5.1224 5.6055 5.6092 5.7926 5.7949 10.4350 10.4385 11.0015 11.0075 12.3614 12.3660 13.3427 13.3434 14.5708 14.5722 14.8422 14.8435 k = 0.5000-0.0000 0.1935 ( 4588 PWs) bands (ev): -14.4223 -14.4222 -14.0726 -14.0724 -13.3048 -13.3040 -13.0953 -13.0943 -12.6901 -12.6898 -12.3062 -12.3058 -11.8537 -11.8534 -11.8041 -11.8039 -3.0086 -3.0078 -2.7594 -2.7584 -2.0101 -2.0083 -1.5967 -1.5931 -0.5927 -0.5893 -0.0721 -0.0710 0.2470 0.2496 0.5205 0.5239 1.4283 1.4331 1.5156 1.5178 1.8101 1.8124 2.1116 2.1160 2.5745 2.5803 2.7137 2.7163 2.9394 2.9407 3.1968 3.1988 3.4297 3.4314 3.6792 3.6809 4.1315 4.1347 4.1835 4.1847 4.6975 4.7003 5.1221 5.1258 5.5891 5.5929 5.8059 5.8082 10.4146 10.4182 11.0363 11.0427 12.3406 12.3458 13.3395 13.3403 14.5586 14.5599 14.8515 14.8528 k = 0.5000-0.0000 0.1806 ( 4584 PWs) bands (ev): -14.4361 -14.4360 -14.0493 -14.0491 -13.3196 -13.3188 -13.0825 -13.0815 -12.6991 -12.6987 -12.3085 -12.3081 -11.8529 -11.8527 -11.8016 -11.8014 -3.0192 -3.0185 -2.7361 -2.7351 -2.0222 -2.0202 -1.5798 -1.5760 -0.6218 -0.6181 -0.0696 -0.0684 0.2468 0.2493 0.5368 0.5404 1.4204 1.4252 1.5185 1.5203 1.8184 1.8209 2.1072 2.1120 2.5398 2.5455 2.7058 2.7084 2.9504 2.9516 3.1943 3.1967 3.4479 3.4498 3.6624 3.6641 4.1532 4.1564 4.2037 4.2053 4.6862 4.6895 5.1248 5.1289 5.5728 5.5766 5.8188 5.8210 10.3942 10.3977 11.0736 11.0804 12.3165 12.3224 13.3363 13.3372 14.5456 14.5469 14.8609 14.8621 k = 0.5000-0.0000 0.1677 ( 4582 PWs) bands (ev): -14.4494 -14.4494 -14.0254 -14.0252 -13.3346 -13.3338 -13.0699 -13.0689 -12.7088 -12.7084 -12.3110 -12.3105 -11.8522 -11.8520 -11.7990 -11.7988 -3.0291 -3.0284 -2.7121 -2.7111 -2.0355 -2.0336 -1.5609 -1.5568 -0.6530 -0.6491 -0.0674 -0.0662 0.2475 0.2499 0.5531 0.5567 1.4130 1.4177 1.5218 1.5233 1.8271 1.8297 2.1003 2.1056 2.5056 2.5113 2.6984 2.7010 2.9616 2.9625 3.1927 3.1954 3.4648 3.4669 3.6467 3.6485 4.1611 4.1638 4.2375 4.2394 4.6753 4.6790 5.1270 5.1316 5.5566 5.5605 5.8312 5.8332 10.3742 10.3776 11.1130 11.1201 12.2895 12.2959 13.3333 13.3342 14.5322 14.5334 14.8702 14.8713 k = 0.5000-0.0000 0.1548 ( 4586 PWs) bands (ev): -14.4621 -14.4620 -14.0013 -14.0011 -13.3496 -13.3489 -13.0577 -13.0566 -12.7190 -12.7186 -12.3136 -12.3131 -11.8515 -11.8513 -11.7962 -11.7960 -3.0382 -3.0375 -2.6876 -2.6867 -2.0501 -2.0482 -1.5400 -1.5357 -0.6862 -0.6821 -0.0656 -0.0644 0.2490 0.2513 0.5690 0.5726 1.4061 1.4107 1.5260 1.5271 1.8360 1.8388 2.0906 2.0962 2.4729 2.4786 2.6917 2.6943 2.9726 2.9734 3.1918 3.1948 3.4804 3.4827 3.6324 3.6342 4.1637 4.1662 4.2752 4.2774 4.6653 4.6695 5.1287 5.1337 5.5406 5.5445 5.8430 5.8448 10.3548 10.3580 11.1541 11.1615 12.2594 12.2663 13.3305 13.3313 14.5185 14.5196 14.8793 14.8803 k = 0.5000-0.0000 0.1419 ( 4582 PWs) bands (ev): -14.4740 -14.4739 -13.9771 -13.9769 -13.3647 -13.3641 -13.0458 -13.0448 -12.7296 -12.7291 -12.3163 -12.3158 -11.8509 -11.8506 -11.7934 -11.7932 -3.0464 -3.0458 -2.6627 -2.6618 -2.0658 -2.0640 -1.5172 -1.5128 -0.7209 -0.7166 -0.0641 -0.0629 0.2512 0.2534 0.5842 0.5878 1.3997 1.4041 1.5311 1.5319 1.8449 1.8478 2.0776 2.0834 2.4426 2.4481 2.6860 2.6886 2.9835 2.9841 3.1914 3.1946 3.4946 3.4971 3.6195 3.6214 4.1642 4.1666 4.3125 4.3150 4.6569 4.6617 5.1298 5.1351 5.5250 5.5290 5.8541 5.8558 10.3363 10.3394 11.1969 11.2045 12.2265 12.2338 13.3279 13.3288 14.5048 14.5058 14.8881 14.8890 k = 0.5000-0.0000 0.1290 ( 4584 PWs) bands (ev): -14.4850 -14.4849 -13.9531 -13.9528 -13.3799 -13.3792 -13.0344 -13.0334 -12.7403 -12.7398 -12.3189 -12.3185 -11.8503 -11.8500 -11.7907 -11.7905 -3.0539 -3.0533 -2.6374 -2.6366 -2.0826 -2.0808 -1.4927 -1.4881 -0.7569 -0.7525 -0.0629 -0.0618 0.2539 0.2560 0.5985 0.6020 1.3938 1.3980 1.5375 1.5379 1.8537 1.8566 2.0613 2.0671 2.4152 2.4205 2.6812 2.6837 2.9941 2.9946 3.1913 3.1946 3.5073 3.5100 3.6082 3.6102 4.1635 4.1659 4.3476 4.3504 4.6510 4.6564 5.1301 5.1357 5.5099 5.5139 5.8645 5.8661 10.3189 10.3217 11.2410 11.2488 12.1909 12.1987 13.3257 13.3266 14.4913 14.4922 14.8964 14.8971 k = 0.5000-0.0000 0.1161 ( 4588 PWs) bands (ev): -14.4951 -14.4950 -13.9294 -13.9292 -13.3950 -13.3944 -13.0234 -13.0225 -12.7510 -12.7505 -12.3216 -12.3211 -11.8497 -11.8495 -11.7880 -11.7878 -3.0606 -3.0601 -2.6121 -2.6112 -2.1003 -2.0985 -1.4664 -1.4618 -0.7939 -0.7894 -0.0620 -0.0610 0.2571 0.2590 0.6118 0.6151 1.3886 1.3925 1.5453 1.5454 1.8621 1.8650 2.0418 2.0475 2.3913 2.3963 2.6774 2.6797 3.0042 3.0048 3.1914 3.1947 3.5183 3.5212 3.5987 3.6008 4.1620 4.1643 4.3789 4.3820 4.6486 4.6544 5.1295 5.1354 5.4954 5.4994 5.8741 5.8756 10.3028 10.3054 11.2863 11.2943 12.1529 12.1610 13.3239 13.3247 14.4781 14.4790 14.9041 14.9047 k = 0.5000-0.0000 0.1032 ( 4588 PWs) bands (ev): -14.5042 -14.5041 -13.9064 -13.9062 -13.4099 -13.4093 -13.0131 -13.0122 -12.7615 -12.7610 -12.3241 -12.3237 -11.8492 -11.8490 -11.7854 -11.7853 -3.0666 -3.0661 -2.5867 -2.5859 -2.1186 -2.1170 -1.4386 -1.4339 -0.8316 -0.8270 -0.0614 -0.0604 0.2605 0.2622 0.6238 0.6269 1.3839 1.3874 1.5543 1.5545 1.8701 1.8729 2.0196 2.0250 2.3707 2.3753 2.6744 2.6766 3.0138 3.0144 3.1916 3.1948 3.5271 3.5303 3.5913 3.5937 4.1597 4.1620 4.4054 4.4087 4.6503 4.6566 5.1282 5.1341 5.4818 5.4857 5.8830 5.8842 10.2880 10.2904 11.3326 11.3408 12.1127 12.1210 13.3224 13.3231 14.4657 14.4665 14.9112 14.9118 k = 0.5000-0.0000 0.0903 ( 4590 PWs) bands (ev): -14.5123 -14.5123 -13.8843 -13.8841 -13.4244 -13.4239 -13.0034 -13.0026 -12.7716 -12.7711 -12.3265 -12.3261 -11.8487 -11.8485 -11.7830 -11.7829 -3.0718 -3.0714 -2.5616 -2.5609 -2.1375 -2.1360 -1.4094 -1.4046 -0.8699 -0.8652 -0.0609 -0.0600 0.2639 0.2655 0.6345 0.6374 1.3797 1.3829 1.5648 1.5653 1.8775 1.8802 1.9953 2.0004 2.3535 2.3576 2.6723 2.6743 3.0228 3.0234 3.1918 3.1949 3.5334 3.5367 3.5868 3.5894 4.1568 4.1591 4.4263 4.4295 4.6568 4.6632 5.1259 5.1319 5.4693 5.4730 5.8909 5.8920 10.2748 10.2769 11.3799 11.3882 12.0705 12.0790 13.3212 13.3219 14.4540 14.4548 14.9177 14.9181 k = 0.5000-0.0000 0.0774 ( 4592 PWs) bands (ev): -14.5194 -14.5194 -13.8634 -13.8632 -13.4385 -13.4380 -12.9945 -12.9937 -12.7810 -12.7806 -12.3287 -12.3284 -11.8483 -11.8481 -11.7808 -11.7807 -3.0763 -3.0760 -2.5371 -2.5364 -2.1567 -2.1553 -1.3789 -1.3742 -0.9083 -0.9036 -0.0605 -0.0597 0.2673 0.2686 0.6439 0.6464 1.3762 1.3789 1.5766 1.5773 1.8841 1.8867 1.9700 1.9746 2.3393 2.3428 2.6709 2.6726 3.0310 3.0316 3.1919 3.1949 3.5368 3.5398 3.5856 3.5880 4.1536 4.1557 4.4415 4.4445 4.6677 4.6739 5.1230 5.1288 5.4580 5.4615 5.8979 5.8989 10.2632 10.2650 11.4279 11.4363 12.0265 12.0352 13.3203 13.3209 14.4435 14.4441 14.9234 14.9237 k = 0.5000-0.0000 0.0645 ( 4584 PWs) bands (ev): -14.5255 -14.5254 -13.8443 -13.8441 -13.4516 -13.4512 -12.9865 -12.9858 -12.7897 -12.7892 -12.3306 -12.3303 -11.8479 -11.8478 -11.7789 -11.7788 -3.0801 -3.0798 -2.5135 -2.5129 -2.1756 -2.1744 -1.3475 -1.3428 -0.9466 -0.9419 -0.0602 -0.0596 0.2704 0.2715 0.6518 0.6540 1.3731 1.3755 1.5894 1.5903 1.8897 1.8922 1.9448 1.9488 2.3279 2.3308 2.6700 2.6714 3.0382 3.0389 3.1921 3.1947 3.5375 3.5401 3.5873 3.5893 4.1503 4.1522 4.4517 4.4543 4.6816 4.6873 5.1196 5.1250 5.4482 5.4513 5.9040 5.9048 10.2532 10.2547 11.4764 11.4850 11.9813 11.9900 13.3197 13.3202 14.4342 14.4348 14.9283 14.9286 k = 0.5000-0.0000 0.0516 ( 4594 PWs) bands (ev): -14.5305 -14.5304 -13.8273 -13.8271 -13.4636 -13.4632 -12.9796 -12.9790 -12.7972 -12.7969 -12.3323 -12.3320 -11.8476 -11.8475 -11.7773 -11.7773 -3.0832 -3.0829 -2.4915 -2.4909 -2.1939 -2.1928 -1.3154 -1.3108 -0.9842 -0.9796 -0.0600 -0.0595 0.2731 0.2740 0.6583 0.6602 1.3707 1.3726 1.6026 1.6037 1.8940 1.8967 1.9210 1.9243 2.3189 2.3212 2.6694 2.6706 3.0444 3.0450 3.1922 3.1944 3.5367 3.5387 3.5905 3.5921 4.1470 4.1487 4.4581 4.4602 4.6967 4.7015 5.1160 5.1208 5.4400 5.4426 5.9090 5.9096 10.2450 10.2462 11.5252 11.5338 11.9350 11.9437 13.3192 13.3197 14.4264 14.4268 14.9324 14.9326 k = 0.5000-0.0000 0.0387 ( 4588 PWs) bands (ev): -14.5343 -14.5343 -13.8131 -13.8129 -13.4737 -13.4735 -12.9739 -12.9734 -12.8035 -12.8032 -12.3336 -12.3334 -11.8474 -11.8473 -11.7761 -11.7760 -3.0856 -3.0854 -2.4719 -2.4714 -2.2105 -2.2096 -1.2835 -1.2791 -1.0204 -1.0160 -0.0599 -0.0595 0.2753 0.2760 0.6635 0.6649 1.3688 1.3702 1.6155 1.6165 1.8931 1.8975 1.9032 1.9057 2.3121 2.3139 2.6692 2.6701 3.0494 3.0499 3.1924 3.1941 3.5354 3.5368 3.5940 3.5952 4.1442 4.1455 4.4620 4.4636 4.7109 4.7147 5.1126 5.1165 5.4335 5.4356 5.9129 5.9134 10.2386 10.2395 11.5739 11.5824 11.8883 11.8969 13.3190 13.3193 14.4202 14.4205 14.9356 14.9357 k = 0.5000-0.0000 0.0258 ( 4588 PWs) bands (ev): -14.5371 -14.5371 -13.8023 -13.8022 -13.4816 -13.4814 -12.9695 -12.9692 -12.8081 -12.8079 -12.3345 -12.3344 -11.8472 -11.8472 -11.7751 -11.7751 -3.0872 -3.0871 -2.4559 -2.4555 -2.2242 -2.2236 -1.2532 -1.2493 -1.0534 -1.0496 -0.0598 -0.0595 0.2770 0.2774 0.6672 0.6681 1.3676 1.3685 1.6267 1.6275 1.8795 1.8820 1.9037 1.9039 2.3075 2.3086 2.6692 2.6697 3.0531 3.0535 3.1926 3.1938 3.5341 3.5350 3.5970 3.5978 4.1420 4.1429 4.4642 4.4653 4.7226 4.7253 5.1100 5.1127 5.4290 5.4304 5.9158 5.9161 10.2340 10.2346 11.6215 11.6296 11.8423 11.8506 13.3188 13.3190 14.4156 14.4159 14.9379 14.9380 k = 0.5000-0.0000 0.0129 ( 4576 PWs) bands (ev): -14.5388 -14.5388 -13.7955 -13.7954 -13.4866 -13.4865 -12.9668 -12.9667 -12.8110 -12.8109 -12.3351 -12.3350 -11.8471 -11.8471 -11.7746 -11.7745 -3.0882 -3.0882 -2.4451 -2.4449 -2.2335 -2.2331 -1.2281 -1.2254 -1.0792 -1.0767 -0.0597 -0.0595 0.2781 0.2783 0.6695 0.6700 1.3669 1.3674 1.6346 1.6351 1.8686 1.8698 1.9050 1.9052 2.3048 2.3054 2.6692 2.6695 3.0554 3.0556 3.1928 3.1934 3.5333 3.5338 3.5991 3.5994 4.1407 4.1412 4.4655 4.4660 4.7305 4.7319 5.1085 5.1099 5.4264 5.4271 5.9176 5.9177 10.2314 10.2317 11.6651 11.6718 11.8009 11.8077 13.3187 13.3189 14.4129 14.4130 14.9393 14.9394 k = 0.5000-0.0000-0.0000 ( 4582 PWs) bands (ev): -14.5393 -14.5393 -13.7931 -13.7931 -13.4883 -13.4883 -12.9658 -12.9658 -12.8120 -12.8120 -12.3353 -12.3353 -11.8470 -11.8470 -11.7744 -11.7744 -3.0885 -3.0885 -2.4412 -2.4412 -2.2367 -2.2367 -1.2163 -1.2163 -1.0891 -1.0891 -0.0596 -0.0596 0.2785 0.2785 0.6704 0.6704 1.3668 1.3668 1.6376 1.6376 1.8651 1.8651 1.9056 1.9056 2.3041 2.3041 2.6693 2.6693 3.0562 3.0562 3.1931 3.1931 3.5332 3.5332 3.5999 3.5999 4.1404 4.1404 4.4660 4.4660 4.7337 4.7337 5.1084 5.1084 5.4257 5.4257 5.9182 5.9182 10.2306 10.2306 11.6909 11.6909 11.7821 11.7821 13.3188 13.3188 14.4120 14.4120 14.9398 14.9398 k = 0.0000 0.0000 0.2838 ( 4570 PWs) bands (ev): -14.9527 -14.9527 -14.7230 -14.7230 -12.8699 -12.8699 -12.4657 -12.4657 -12.3752 -12.3752 -12.3135 -12.3135 -11.7716 -11.7716 -11.5984 -11.5984 -3.5553 -3.5553 -3.2417 -3.2417 -1.3495 -1.3495 -1.2472 -1.2472 -0.7886 -0.7886 -0.6746 -0.6746 0.3152 0.3152 0.5726 0.5726 1.3478 1.3478 1.5600 1.5600 2.3838 2.3838 2.4612 2.4612 2.8209 2.8209 3.0493 3.0493 3.1757 3.1757 3.2528 3.2528 3.4213 3.4213 3.7104 3.7104 3.8606 3.8606 4.0854 4.0854 4.7364 4.7364 4.9116 4.9116 5.5428 5.5428 5.5751 5.5751 8.5998 8.5998 8.7078 8.7078 13.5812 13.5812 13.6920 13.6920 14.3305 14.3305 14.8949 14.8949 k = 0.0128-0.0000 0.2838 ( 4574 PWs) bands (ev): -14.9520 -14.9520 -14.7224 -14.7224 -12.8700 -12.8700 -12.4668 -12.4665 -12.3749 -12.3747 -12.3141 -12.3141 -11.7719 -11.7718 -11.5990 -11.5990 -3.5543 -3.5542 -3.2413 -3.2412 -1.3520 -1.3517 -1.2472 -1.2471 -0.7888 -0.7885 -0.6716 -0.6715 0.3147 0.3148 0.5719 0.5721 1.3482 1.3482 1.5595 1.5595 2.3824 2.3825 2.4563 2.4573 2.8230 2.8241 3.0495 3.0497 3.1766 3.1768 3.2475 3.2482 3.4275 3.4277 3.7109 3.7110 3.8573 3.8579 4.0868 4.0868 4.7365 4.7372 4.9104 4.9110 5.5432 5.5432 5.5747 5.5751 8.6026 8.6026 8.7104 8.7106 13.5805 13.5813 13.6907 13.6909 14.3317 14.3322 14.8949 14.8950 k = 0.0256-0.0000 0.2838 ( 4576 PWs) bands (ev): -14.9500 -14.9500 -14.7205 -14.7205 -12.8702 -12.8701 -12.4698 -12.4694 -12.3739 -12.3735 -12.3159 -12.3158 -11.7727 -11.7727 -11.6007 -11.6007 -3.5512 -3.5512 -3.2399 -3.2398 -1.3591 -1.3585 -1.2470 -1.2468 -0.7894 -0.7887 -0.6626 -0.6623 0.3135 0.3137 0.5701 0.5705 1.3493 1.3493 1.5581 1.5582 2.3783 2.3785 2.4432 2.4450 2.8299 2.8319 3.0501 3.0505 3.1794 3.1798 3.2344 3.2356 3.4441 3.4446 3.7124 3.7127 3.8483 3.8495 4.0907 4.0908 4.7375 4.7389 4.9073 4.9085 5.5444 5.5444 5.5739 5.5747 8.6109 8.6110 8.7184 8.7187 13.5791 13.5807 13.6870 13.6874 14.3358 14.3370 14.8949 14.8951 k = 0.0385-0.0000 0.2838 ( 4578 PWs) bands (ev): -14.9467 -14.9467 -14.7175 -14.7175 -12.8705 -12.8704 -12.4746 -12.4741 -12.3723 -12.3717 -12.3189 -12.3187 -11.7742 -11.7741 -11.6036 -11.6035 -3.5461 -3.5461 -3.2377 -3.2375 -1.3703 -1.3694 -1.2466 -1.2464 -0.7900 -0.7891 -0.6479 -0.6475 0.3115 0.3118 0.5671 0.5676 1.3512 1.3513 1.5559 1.5559 2.3716 2.3718 2.4233 2.4258 2.8401 2.8429 3.0512 3.0517 3.1841 3.1847 3.2172 3.2189 3.4671 3.4677 3.7157 3.7161 3.8345 3.8362 4.0966 4.0968 4.7393 4.7414 4.9024 4.9042 5.5464 5.5464 5.5727 5.5739 8.6249 8.6249 8.7317 8.7321 13.5771 13.5795 13.6809 13.6815 14.3429 14.3446 14.8951 14.8953 k = 0.0513-0.0000 0.2838 ( 4578 PWs) bands (ev): -14.9420 -14.9420 -14.7132 -14.7132 -12.8710 -12.8709 -12.4812 -12.4805 -12.3701 -12.3695 -12.3230 -12.3228 -11.7761 -11.7760 -11.6075 -11.6075 -3.5391 -3.5390 -3.2345 -3.2342 -1.3851 -1.3840 -1.2463 -1.2459 -0.7908 -0.7896 -0.6282 -0.6277 0.3089 0.3092 0.5629 0.5637 1.3539 1.3540 1.5527 1.5528 2.3623 2.3627 2.3981 2.4010 2.8521 2.8554 3.0523 3.0528 3.1907 3.1909 3.1988 3.2014 3.4924 3.4931 3.7218 3.7221 3.8170 3.8191 4.1035 4.1038 4.7418 4.7446 4.8957 4.8981 5.5491 5.5492 5.5712 5.5728 8.6442 8.6442 8.7502 8.7508 13.5746 13.5777 13.6725 13.6733 14.3527 14.3549 14.8955 14.8957 k = 0.0641-0.0000 0.2838 ( 4580 PWs) bands (ev): -14.9360 -14.9360 -14.7077 -14.7077 -12.8716 -12.8714 -12.4893 -12.4885 -12.3677 -12.3669 -12.3284 -12.3281 -11.7785 -11.7784 -11.6124 -11.6124 -3.5300 -3.5299 -3.2305 -3.2301 -1.4029 -1.4015 -1.2461 -1.2457 -0.7914 -0.7899 -0.6042 -0.6037 0.3057 0.3061 0.5577 0.5586 1.3575 1.3576 1.5488 1.5488 2.3508 2.3511 2.3691 2.3723 2.8642 2.8678 3.0533 3.0538 3.1802 3.1822 3.1997 3.2011 3.5168 3.5177 3.7323 3.7325 3.7968 3.7992 4.1107 4.1113 4.7450 4.7484 4.8873 4.8903 5.5526 5.5527 5.5694 5.5714 8.6689 8.6689 8.7739 8.7747 13.5717 13.5755 13.6617 13.6627 14.3651 14.3677 14.8961 14.8964 k = 0.0769-0.0000 0.2838 ( 4588 PWs) bands (ev): -14.9287 -14.9287 -14.7011 -14.7010 -12.8724 -12.8722 -12.4990 -12.4981 -12.3649 -12.3641 -12.3349 -12.3346 -11.7814 -11.7812 -11.6183 -11.6183 -3.5192 -3.5190 -3.2256 -3.2252 -1.4230 -1.4215 -1.2463 -1.2457 -0.7919 -0.7901 -0.5767 -0.5762 0.3019 0.3024 0.5514 0.5525 1.3620 1.3621 1.5441 1.5442 2.3356 2.3365 2.3391 2.3413 2.8751 2.8788 3.0540 3.0542 3.1637 3.1664 3.2100 3.2113 3.5373 3.5384 3.7490 3.7490 3.7750 3.7776 4.1179 4.1186 4.7486 4.7526 4.8773 4.8807 5.5566 5.5568 5.5674 5.5698 8.6988 8.6988 8.8027 8.8036 13.5684 13.5728 13.6486 13.6497 14.3799 14.3828 14.8971 14.8974 k = 0.0897-0.0000 0.2838 ( 4586 PWs) bands (ev): -14.9201 -14.9201 -14.6932 -14.6931 -12.8734 -12.8731 -12.5101 -12.5092 -12.3621 -12.3612 -12.3425 -12.3422 -11.7846 -11.7844 -11.6251 -11.6250 -3.5064 -3.5063 -3.2199 -3.2194 -1.4449 -1.4432 -1.2469 -1.2462 -0.7919 -0.7898 -0.5464 -0.5459 0.2978 0.2984 0.5441 0.5454 1.3674 1.3676 1.5388 1.5389 2.3035 2.3070 2.3219 2.3222 2.8835 2.8873 3.0540 3.0540 3.1495 3.1528 3.2219 3.2231 3.5518 3.5532 3.7519 3.7550 3.7734 3.7735 4.1245 4.1254 4.7526 4.7571 4.8657 4.8696 5.5608 5.5611 5.5659 5.5686 8.7336 8.7337 8.8364 8.8375 13.5649 13.5699 13.6331 13.6345 14.3967 14.4000 14.8985 14.8989 k = 0.1026-0.0000 0.2838 ( 4590 PWs) bands (ev): -14.9102 -14.9102 -14.6842 -14.6841 -12.8746 -12.8743 -12.5226 -12.5216 -12.3591 -12.3583 -12.3513 -12.3509 -11.7882 -11.7879 -11.6325 -11.6325 -3.4920 -3.4918 -3.2134 -3.2128 -1.4681 -1.4663 -1.2483 -1.2475 -0.7913 -0.7889 -0.5140 -0.5135 0.2935 0.2942 0.5358 0.5373 1.3739 1.3742 1.5329 1.5330 2.2689 2.2725 2.3045 2.3048 2.8888 2.8924 3.0528 3.0532 3.1382 3.1420 3.2347 3.2359 3.5597 3.5613 3.7294 3.7324 3.8051 3.8053 4.1305 4.1316 4.7567 4.7617 4.8527 4.8571 5.5617 5.5630 5.5684 5.5698 8.7733 8.7733 8.8748 8.8761 13.5611 13.5667 13.6153 13.6169 14.4153 14.4189 14.9005 14.9010 k = 0.1154-0.0000 0.2838 ( 4596 PWs) bands (ev): -14.8990 -14.8990 -14.6740 -14.6739 -12.8761 -12.8758 -12.5365 -12.5355 -12.3615 -12.3611 -12.3559 -12.3550 -11.7919 -11.7917 -11.6407 -11.6406 -3.4759 -3.4757 -3.2061 -3.2054 -1.4921 -1.4902 -1.2507 -1.2498 -0.7898 -0.7872 -0.4801 -0.4796 0.2892 0.2899 0.5267 0.5282 1.3814 1.3818 1.5266 1.5266 2.2338 2.2373 2.2856 2.2859 2.8904 2.8939 3.0507 3.0515 3.1300 3.1345 3.2479 3.2492 3.5617 3.5636 3.7077 3.7106 3.8430 3.8434 4.1356 4.1369 4.7608 4.7663 4.8386 4.8433 5.5597 5.5620 5.5741 5.5747 8.8175 8.8175 8.9179 8.9193 13.5573 13.5634 13.5953 13.5971 14.4354 14.4392 14.9032 14.9036 k = 0.1282-0.0000 0.2838 ( 4594 PWs) bands (ev): -14.8867 -14.8867 -14.6627 -14.6626 -12.8778 -12.8775 -12.5518 -12.5509 -12.3724 -12.3720 -12.3530 -12.3521 -11.7959 -11.7956 -11.6494 -11.6493 -3.4582 -3.4580 -3.1980 -3.1973 -1.5167 -1.5147 -1.2542 -1.2533 -0.7873 -0.7844 -0.4452 -0.4448 0.2850 0.2858 0.5167 0.5184 1.3901 1.3906 1.5199 1.5199 2.1984 2.2019 2.2655 2.2657 2.8885 2.8918 3.0474 3.0487 3.1250 3.1300 3.2608 3.2622 3.5591 3.5613 3.6879 3.6907 3.8854 3.8859 4.1399 4.1414 4.7648 4.7707 4.8235 4.8285 5.5574 5.5602 5.5805 5.5810 8.8661 8.8661 8.9654 8.9670 13.5533 13.5598 13.5732 13.5751 14.4567 14.4606 14.9065 14.9070 k = 0.1410-0.0000 0.2838 ( 4594 PWs) bands (ev): -14.8731 -14.8731 -14.6503 -14.6502 -12.8800 -12.8796 -12.5686 -12.5676 -12.3845 -12.3840 -12.3500 -12.3491 -11.8000 -11.7997 -11.6584 -11.6583 -3.4391 -3.4389 -3.1893 -3.1885 -1.5415 -1.5395 -1.2592 -1.2581 -0.7834 -0.7803 -0.4100 -0.4096 0.2811 0.2820 0.5060 0.5078 1.3999 1.4006 1.5130 1.5130 2.1631 2.1665 2.2443 2.2444 2.8834 2.8864 3.0430 3.0447 3.1226 3.1281 3.2727 3.2743 3.5530 3.5554 3.6710 3.6735 3.9304 3.9310 4.1435 4.1450 4.7684 4.7748 4.8079 4.8131 5.5552 5.5583 5.5874 5.5878 8.9187 8.9187 9.0171 9.0189 13.5457 13.5495 13.5525 13.5577 14.4788 14.4828 14.9106 14.9111 k = 0.1538-0.0000 0.2838 ( 4606 PWs) bands (ev): -14.8583 -14.8583 -14.6369 -14.6368 -12.8825 -12.8821 -12.5867 -12.5858 -12.3976 -12.3971 -12.3470 -12.3461 -11.8041 -11.8038 -11.6678 -11.6677 -3.4187 -3.4184 -3.1799 -3.1790 -1.5664 -1.5643 -1.2657 -1.2646 -0.7782 -0.7749 -0.3748 -0.3745 0.2778 0.2788 0.4947 0.4966 1.4110 1.4118 1.5059 1.5059 2.1281 2.1314 2.2221 2.2222 2.8756 2.8785 3.0371 3.0394 3.1223 3.1283 3.2826 3.2845 3.5442 3.5468 3.6579 3.6600 3.9766 3.9772 4.1463 4.1479 4.7714 4.7785 4.7924 4.7975 5.5532 5.5565 5.5946 5.5949 8.9750 8.9750 9.0729 9.0747 13.5209 13.5235 13.5468 13.5536 14.5014 14.5055 14.9153 14.9158 k = 0.1667-0.0000 0.2838 ( 4604 PWs) bands (ev): -14.8424 -14.8424 -14.6224 -14.6223 -12.8855 -12.8851 -12.6063 -12.6053 -12.4115 -12.4110 -12.3441 -12.3432 -11.8083 -11.8080 -11.6774 -11.6773 -3.3970 -3.3968 -3.1699 -3.1690 -1.5912 -1.5891 -1.2738 -1.2727 -0.7714 -0.7680 -0.3404 -0.3401 0.2754 0.2764 0.4828 0.4848 1.4233 1.4243 1.4989 1.4990 2.0937 2.0968 2.1991 2.1993 2.8660 2.8688 3.0298 3.0326 3.1234 3.1298 3.2900 3.2921 3.5332 3.5361 3.6494 3.6512 4.0224 4.0230 4.1484 4.1501 4.7714 4.7798 4.7808 4.7831 5.5515 5.5549 5.6020 5.6022 9.0349 9.0349 9.1324 9.1344 13.4921 13.4948 13.5429 13.5501 14.5242 14.5283 14.9207 14.9212 k = 0.1795-0.0000 0.2838 ( 4604 PWs) bands (ev): -14.8254 -14.8254 -14.6069 -14.6068 -12.8891 -12.8886 -12.6272 -12.6263 -12.4263 -12.4257 -12.3411 -12.3403 -11.8123 -11.8120 -11.6870 -11.6869 -3.3743 -3.3740 -3.1593 -3.1584 -1.6157 -1.6135 -1.2837 -1.2826 -0.7631 -0.7595 -0.3070 -0.3068 0.2739 0.2750 0.4705 0.4725 1.4368 1.4380 1.4922 1.4922 2.0601 2.0629 2.1756 2.1758 2.8553 2.8579 3.0209 3.0243 3.1254 3.1321 3.2944 3.2967 3.5206 3.5236 3.6463 3.6477 4.0664 4.0669 4.1499 4.1516 4.7608 4.7679 4.7788 4.7846 5.5502 5.5537 5.6094 5.6097 9.0978 9.0979 9.1956 9.1977 13.4610 13.4639 13.5391 13.5466 14.5468 14.5508 14.9267 14.9271 k = 0.1923-0.0000 0.2838 ( 4596 PWs) bands (ev): -14.8073 -14.8073 -14.5905 -14.5904 -12.8933 -12.8927 -12.6495 -12.6487 -12.4416 -12.4411 -12.3383 -12.3374 -11.8163 -11.8160 -11.6966 -11.6966 -3.3506 -3.3503 -3.1483 -3.1473 -1.6398 -1.6376 -1.2952 -1.2942 -0.7533 -0.7496 -0.2752 -0.2751 0.2738 0.2750 0.4578 0.4599 1.4514 1.4529 1.4859 1.4859 2.0273 2.0299 2.1516 2.1519 2.8439 2.8464 3.0103 3.0143 3.1277 3.1347 3.2957 3.2982 3.5064 3.5096 3.6485 3.6495 4.1071 4.1075 4.1510 4.1527 4.7492 4.7559 4.7803 4.7866 5.5494 5.5530 5.6169 5.6171 9.1637 9.1637 9.2620 9.2643 13.4278 13.4309 13.5354 13.5430 14.5689 14.5728 14.9329 14.9334 k = 0.2051-0.0000 0.2838 ( 4596 PWs) bands (ev): -14.7882 -14.7882 -14.5732 -14.5730 -12.8982 -12.8976 -12.6732 -12.6724 -12.4575 -12.4569 -12.3355 -12.3347 -11.8202 -11.8198 -11.7061 -11.7060 -3.3261 -3.3258 -3.1368 -3.1358 -1.6634 -1.6613 -1.3084 -1.3074 -0.7420 -0.7382 -0.2455 -0.2454 0.2752 0.2764 0.4449 0.4470 1.4663 1.4682 1.4807 1.4808 1.9956 1.9979 2.1273 2.1278 2.8323 2.8348 2.9980 3.0027 3.1301 3.1373 3.2944 3.2969 3.4911 3.4943 3.6558 3.6565 4.1423 4.1427 4.1524 4.1537 4.7408 4.7471 4.7816 4.7882 5.5492 5.5527 5.6242 5.6245 9.2320 9.2321 9.3316 9.3340 13.3926 13.3958 13.5315 13.5393 14.5901 14.5939 14.9393 14.9398 k = 0.2179-0.0000 0.2838 ( 4604 PWs) bands (ev): -14.7682 -14.7682 -14.5550 -14.5548 -12.9039 -12.9033 -12.6982 -12.6974 -12.4737 -12.4731 -12.3327 -12.3319 -11.8238 -11.8235 -11.7154 -11.7153 -3.3009 -3.3006 -3.1250 -3.1239 -1.6866 -1.6844 -1.3232 -1.3222 -0.7295 -0.7256 -0.2181 -0.2181 0.2782 0.2795 0.4318 0.4339 1.4718 1.4727 1.4867 1.4880 1.9652 1.9671 2.1030 2.1036 2.8209 2.8233 2.9841 2.9894 3.1322 3.1396 3.2910 3.2934 3.4747 3.4780 3.6674 3.6679 4.1511 4.1529 4.1726 4.1732 4.7371 4.7430 4.7824 4.7891 5.5496 5.5531 5.6314 5.6316 9.3024 9.3026 9.4040 9.4066 13.3553 13.3586 13.5274 13.5353 14.6101 14.6138 14.9455 14.9459 k = 0.2308-0.0000 0.2838 ( 4608 PWs) bands (ev): -14.7473 -14.7473 -14.5360 -14.5359 -12.9106 -12.9100 -12.7244 -12.7236 -12.4901 -12.4894 -12.3300 -12.3293 -11.8273 -11.8270 -11.7244 -11.7243 -3.2752 -3.2748 -3.1129 -3.1118 -1.7091 -1.7070 -1.3393 -1.3384 -0.7158 -0.7119 -0.1936 -0.1935 0.2830 0.2844 0.4187 0.4208 1.4679 1.4686 1.5035 1.5056 1.9364 1.9379 2.0787 2.0794 2.8099 2.8123 2.9687 2.9746 3.1338 3.1414 3.2863 3.2886 3.4574 3.4608 3.6824 3.6827 4.1512 4.1529 4.1932 4.1943 4.7394 4.7448 4.7827 4.7894 5.5507 5.5542 5.6382 5.6385 9.3747 9.3749 9.4790 9.4817 13.3160 13.3195 13.5231 13.5310 14.6286 14.6321 14.9512 14.9516 k = 0.2436-0.0000 0.2838 ( 4610 PWs) bands (ev): -14.7255 -14.7255 -14.5164 -14.5162 -12.9183 -12.9177 -12.7517 -12.7509 -12.5064 -12.5057 -12.3274 -12.3267 -11.8306 -11.8303 -11.7331 -11.7330 -3.2490 -3.2487 -3.1005 -3.0994 -1.7309 -1.7288 -1.3567 -1.3558 -0.7011 -0.6973 -0.1719 -0.1718 0.2896 0.2910 0.4057 0.4078 1.4640 1.4646 1.5217 1.5242 1.9095 1.9105 2.0546 2.0555 2.7995 2.8018 2.9520 2.9584 3.1349 3.1425 3.2811 3.2832 3.4396 3.4430 3.6999 3.7002 4.1510 4.1525 4.2047 4.2065 4.7484 4.7532 4.7825 4.7892 5.5527 5.5562 5.6448 5.6450 9.4483 9.4485 9.5563 9.5590 13.2748 13.2785 13.5183 13.5263 14.6453 14.6486 14.9559 14.9564 k = 0.2564-0.0000 0.2838 ( 4610 PWs) bands (ev): -14.7030 -14.7030 -14.4961 -14.4959 -12.9271 -12.9265 -12.7800 -12.7793 -12.5223 -12.5217 -12.3248 -12.3241 -11.8336 -11.8333 -11.7413 -11.7413 -3.2227 -3.2223 -3.0880 -3.0869 -1.7520 -1.7500 -1.3750 -1.3742 -0.6858 -0.6820 -0.1533 -0.1532 0.2980 0.2994 0.3928 0.3949 1.4608 1.4615 1.5400 1.5430 1.8851 1.8856 2.0309 2.0318 2.7898 2.7920 2.9342 2.9412 3.1351 3.1427 3.2758 3.2777 3.4214 3.4246 3.7191 3.7193 4.1506 4.1520 4.2068 4.2093 4.7640 4.7682 4.7819 4.7885 5.5557 5.5590 5.6510 5.6512 9.5230 9.5233 9.6356 9.6385 13.2318 13.2356 13.5130 13.5210 14.6599 14.6629 14.9594 14.9598 k = 0.2692-0.0000 0.2838 ( 4610 PWs) bands (ev): -14.6799 -14.6798 -14.4752 -14.4750 -12.9371 -12.9365 -12.8092 -12.8085 -12.5379 -12.5372 -12.3223 -12.3217 -11.8364 -11.8362 -11.7491 -11.7491 -3.1962 -3.1958 -3.0754 -3.0742 -1.7724 -1.7705 -1.3942 -1.3935 -0.6699 -0.6662 -0.1376 -0.1374 0.3078 0.3092 0.3802 0.3823 1.4584 1.4592 1.5577 1.5613 1.8637 1.8639 2.0077 2.0087 2.7809 2.7830 2.9159 2.9232 3.1345 3.1420 3.2707 3.2725 3.4030 3.4061 3.7392 3.7395 4.1502 4.1514 4.2003 4.2035 4.7794 4.7861 4.7869 4.7901 5.5596 5.5628 5.6567 5.6570 9.5983 9.5986 9.7166 9.7196 13.1869 13.1909 13.5071 13.5150 14.6721 14.6749 14.9610 14.9615 k = 0.2821-0.0000 0.2838 ( 4606 PWs) bands (ev): -14.6561 -14.6561 -14.4538 -14.4537 -12.9484 -12.9478 -12.8391 -12.8385 -12.5527 -12.5520 -12.3199 -12.3193 -11.8390 -11.8388 -11.7565 -11.7565 -3.1697 -3.1693 -3.0627 -3.0616 -1.7920 -1.7901 -1.4139 -1.4133 -0.6538 -0.6501 -0.1248 -0.1245 0.3189 0.3203 0.3679 0.3700 1.4569 1.4577 1.5737 1.5780 1.8460 1.8470 1.9850 1.9861 2.7728 2.7749 2.8972 2.9049 3.1326 3.1399 3.2662 3.2677 3.3849 3.3878 3.7597 3.7600 4.1497 4.1508 4.1864 4.1901 4.7786 4.7852 4.8121 4.8147 5.5647 5.5678 5.6620 5.6622 9.6739 9.6741 9.7990 9.8021 13.1404 13.1444 13.5005 13.5083 14.6816 14.6842 14.9606 14.9611 k = 0.2949-0.0000 0.2838 ( 4610 PWs) bands (ev): -14.6320 -14.6320 -14.4321 -14.4319 -12.9610 -12.9603 -12.8696 -12.8691 -12.5666 -12.5660 -12.3176 -12.3170 -11.8414 -11.8412 -11.7634 -11.7634 -3.1434 -3.1430 -3.0502 -3.0491 -1.8108 -1.8090 -1.4341 -1.4336 -0.6376 -0.6339 -0.1144 -0.1141 0.3308 0.3321 0.3561 0.3582 1.4562 1.4571 1.5866 1.5915 1.8339 1.8356 1.9631 1.9643 2.7656 2.7676 2.8786 2.8866 3.1293 3.1363 3.2622 3.2635 3.3675 3.3699 3.7800 3.7805 4.1492 4.1500 4.1667 4.1709 4.7767 4.7831 4.8407 4.8428 5.5709 5.5738 5.6669 5.6671 9.7492 9.7495 9.8825 9.8857 13.0922 13.0964 13.4932 13.5008 14.6884 14.6907 14.9579 14.9583 k = 0.3077-0.0000 0.2838 ( 4610 PWs) bands (ev): -14.6075 -14.6075 -14.4102 -14.4100 -12.9748 -12.9741 -12.9005 -12.9000 -12.5796 -12.5790 -12.3154 -12.3148 -11.8436 -11.8434 -11.7698 -11.7698 -3.1175 -3.1171 -3.0378 -3.0367 -1.8287 -1.8270 -1.4545 -1.4540 -0.6215 -0.6180 -0.1063 -0.1060 0.3424 0.3430 0.3455 0.3482 1.4563 1.4573 1.5949 1.6004 1.8289 1.8313 1.9421 1.9433 2.7593 2.7612 2.8605 2.8686 3.1243 3.1307 3.2587 3.2599 3.3512 3.3531 3.7998 3.8005 4.1409 4.1443 4.1510 4.1517 4.7745 4.7807 4.8708 4.8724 5.5782 5.5810 5.6712 5.6714 9.8238 9.8241 9.9667 9.9699 13.0426 13.0468 13.4850 13.4924 14.6924 14.6945 14.9528 14.9532 k = 0.3205-0.0000 0.2838 ( 4614 PWs) bands (ev): -14.5828 -14.5828 -14.3881 -14.3879 -12.9898 -12.9891 -12.9316 -12.9311 -12.5915 -12.5909 -12.3133 -12.3128 -11.8455 -11.8453 -11.7757 -11.7757 -3.0922 -3.0918 -3.0257 -3.0246 -1.8457 -1.8440 -1.4748 -1.4744 -0.6057 -0.6023 -0.1001 -0.0998 0.3339 0.3355 0.3558 0.3573 1.4572 1.4583 1.5977 1.6034 1.8321 1.8349 1.9220 1.9233 2.7538 2.7556 2.8431 2.8512 3.1171 3.1229 3.2558 3.2568 3.3365 3.3377 3.8187 3.8195 4.1138 4.1186 4.1501 4.1503 4.7720 4.7780 4.9009 4.9022 5.5868 5.5894 5.6751 5.6753 9.8973 9.8976 10.0512 10.0545 12.9916 12.9959 13.4760 13.4832 14.6936 14.6955 14.9453 14.9457 k = 0.3333-0.0000 0.2838 ( 4612 PWs) bands (ev): -14.5582 -14.5581 -14.3661 -14.3659 -13.0057 -13.0051 -12.9626 -12.9621 -12.6023 -12.6017 -12.3112 -12.3108 -11.8473 -11.8471 -11.7812 -11.7811 -3.0674 -3.0670 -3.0139 -3.0128 -1.8618 -1.8602 -1.4950 -1.4946 -0.5904 -0.5872 -0.0954 -0.0951 0.3238 0.3255 0.3680 0.3694 1.4587 1.4598 1.5951 1.6007 1.8433 1.8462 1.9030 1.9044 2.7492 2.7509 2.8267 2.8348 3.1074 3.1124 3.2534 3.2542 3.3239 3.3243 3.8365 3.8375 4.0840 4.0890 4.1504 4.1504 4.7694 4.7750 4.9301 4.9311 5.5964 5.5988 5.6786 5.6788 9.9691 9.9695 10.1356 10.1389 12.9396 12.9439 13.4662 13.4731 14.6921 14.6939 14.9357 14.9361 k = 0.3462-0.0000 0.2838 ( 4606 PWs) bands (ev): -14.5337 -14.5336 -14.3443 -14.3441 -13.0225 -13.0219 -12.9933 -12.9929 -12.6118 -12.6113 -12.3093 -12.3089 -11.8489 -11.8487 -11.7861 -11.7861 -3.0436 -3.0432 -3.0025 -3.0015 -1.8769 -1.8754 -1.5147 -1.5144 -0.5757 -0.5727 -0.0921 -0.0917 0.3144 0.3160 0.3797 0.3810 1.4606 1.4618 1.5881 1.5934 1.8609 1.8638 1.8854 1.8868 2.7455 2.7470 2.8116 2.8196 3.0949 3.0991 3.2514 3.2521 3.3134 3.3139 3.8530 3.8541 4.0527 4.0578 4.1508 4.1511 4.7667 4.7720 4.9578 4.9586 5.6071 5.6093 5.6816 5.6818 10.0388 10.0392 10.2194 10.2228 12.8867 12.8910 13.4557 13.4623 14.6884 14.6900 14.9244 14.9248 k = 0.3590-0.0000 0.2838 ( 4604 PWs) bands (ev): -14.5095 -14.5095 -14.3229 -14.3227 -13.0399 -13.0394 -13.0234 -13.0230 -12.6203 -12.6198 -12.3076 -12.3072 -11.8503 -11.8501 -11.7906 -11.7906 -3.0207 -3.0203 -2.9916 -2.9906 -1.8910 -1.8895 -1.5338 -1.5335 -0.5619 -0.5590 -0.0897 -0.0893 0.3057 0.3072 0.3908 0.3919 1.4629 1.4641 1.5783 1.5831 1.8677 1.8687 1.8853 1.8874 2.7425 2.7439 2.7979 2.8056 3.0797 3.0829 3.2498 3.2504 3.3051 3.3064 3.8679 3.8691 4.0208 4.0260 4.1516 4.1522 4.7639 4.7688 4.9834 4.9840 5.6185 5.6205 5.6843 5.6844 10.1059 10.1063 10.3021 10.3055 12.8333 12.8376 13.4446 13.4508 14.6827 14.6842 14.9117 14.9121 k = 0.3718-0.0000 0.2838 ( 4602 PWs) bands (ev): -14.4860 -14.4860 -14.3020 -14.3018 -13.0575 -13.0571 -13.0527 -13.0522 -12.6277 -12.6272 -12.3059 -12.3055 -11.8515 -11.8513 -11.7947 -11.7946 -2.9990 -2.9987 -2.9813 -2.9804 -1.9040 -1.9027 -1.5521 -1.5519 -0.5490 -0.5463 -0.0881 -0.0877 0.2978 0.2992 0.4009 0.4020 1.4654 1.4666 1.5669 1.5713 1.8527 1.8540 1.9107 1.9128 2.7404 2.7416 2.7856 2.7930 3.0618 3.0643 3.2485 3.2490 3.2994 3.3015 3.8811 3.8825 3.9890 3.9942 4.1528 4.1536 4.7611 4.7657 5.0067 5.0071 5.6306 5.6324 5.6865 5.6867 10.1697 10.1701 10.3831 10.3864 12.7797 12.7840 13.4331 13.4389 14.6755 14.6768 14.8982 14.8986 k = 0.3846-0.0000 0.2838 ( 4598 PWs) bands (ev): -14.4633 -14.4633 -14.2820 -14.2818 -13.0808 -13.0806 -13.0750 -13.0745 -12.6341 -12.6337 -12.3044 -12.3040 -11.8526 -11.8524 -11.7982 -11.7982 -2.9787 -2.9784 -2.9717 -2.9708 -1.9159 -1.9147 -1.5694 -1.5692 -0.5370 -0.5345 -0.0871 -0.0867 0.2907 0.2919 0.4101 0.4111 1.4680 1.4691 1.5551 1.5589 1.8388 1.8401 1.9385 1.9404 2.7391 2.7401 2.7749 2.7819 3.0418 3.0435 3.2474 3.2478 3.2961 3.2988 3.8927 3.8942 3.9578 3.9629 4.1544 4.1553 4.7584 4.7626 5.0274 5.0276 5.6430 5.6445 5.6884 5.6886 10.2298 10.2302 10.4616 10.4649 12.7266 12.7307 13.4214 13.4267 14.6673 14.6685 14.8844 14.8848 k = 0.3974-0.0000 0.2838 ( 4600 PWs) bands (ev): -14.4417 -14.4417 -14.2630 -14.2628 -13.1073 -13.1071 -13.0922 -13.0917 -12.6395 -12.6391 -12.3030 -12.3027 -11.8535 -11.8534 -11.8014 -11.8014 -2.9628 -2.9622 -2.9597 -2.9596 -1.9267 -1.9256 -1.5855 -1.5854 -0.5262 -0.5239 -0.0865 -0.0862 0.2843 0.2855 0.4183 0.4192 1.4705 1.4716 1.5435 1.5468 1.8262 1.8275 1.9672 1.9688 2.7385 2.7394 2.7657 2.7723 3.0202 3.0213 3.2466 3.2469 3.2948 3.2979 3.9026 3.9042 3.9279 3.9329 4.1562 4.1572 4.7559 4.7596 5.0455 5.0457 5.6553 5.6567 5.6901 5.6902 10.2856 10.2860 10.5370 10.5402 12.6746 12.6785 13.4097 13.4145 14.6585 14.6596 14.8708 14.8711 k = 0.4103-0.0000 0.2838 ( 4602 PWs) bands (ev): -14.4216 -14.4216 -14.2453 -14.2451 -13.1320 -13.1318 -13.1085 -13.1081 -12.6441 -12.6438 -12.3018 -12.3015 -11.8543 -11.8542 -11.8042 -11.8042 -2.9547 -2.9541 -2.9428 -2.9425 -1.9363 -1.9353 -1.6002 -1.6001 -0.5165 -0.5145 -0.0863 -0.0860 0.2788 0.2798 0.4255 0.4263 1.4728 1.4738 1.5325 1.5354 1.8151 1.8163 1.9956 1.9970 2.7386 2.7393 2.7581 2.7641 2.9976 2.9983 3.2460 3.2462 3.2952 3.2985 3.8995 3.9036 3.9119 3.9129 4.1582 4.1593 4.7536 4.7569 5.0611 5.0612 5.6672 5.6684 5.6914 5.6916 10.3365 10.3368 10.6082 10.6112 12.6244 12.6281 13.3983 13.4027 14.6496 14.6506 14.8577 14.8580 k = 0.4231-0.0000 0.2838 ( 4608 PWs) bands (ev): -14.4032 -14.4032 -14.2292 -14.2291 -13.1544 -13.1542 -13.1237 -13.1233 -12.6479 -12.6476 -12.3007 -12.3005 -11.8550 -11.8549 -11.8065 -11.8065 -2.9476 -2.9470 -2.9275 -2.9273 -1.9447 -1.9439 -1.6134 -1.6134 -0.5080 -0.5063 -0.0863 -0.0860 0.2740 0.2749 0.4317 0.4323 1.4749 1.4758 1.5226 1.5250 1.8055 1.8066 2.0229 2.0241 2.7395 2.7400 2.7518 2.7573 2.9749 2.9753 3.2454 3.2457 3.2968 3.3001 3.8738 3.8779 3.9183 3.9196 4.1602 4.1613 4.7515 4.7543 5.0743 5.0743 5.6784 5.6794 5.6926 5.6927 10.3820 10.3823 10.6741 10.6769 12.5769 12.5804 13.3877 13.3914 14.6410 14.6418 14.8455 14.8458 k = 0.4359-0.0000 0.2838 ( 4606 PWs) bands (ev): -14.3869 -14.3869 -14.2149 -14.2148 -13.1742 -13.1740 -13.1373 -13.1370 -12.6509 -12.6507 -12.2998 -12.2996 -11.8555 -11.8554 -11.8085 -11.8085 -2.9414 -2.9409 -2.9143 -2.9141 -1.9519 -1.9512 -1.6249 -1.6249 -0.5008 -0.4993 -0.0863 -0.0861 0.2700 0.2708 0.4368 0.4373 1.4767 1.4775 1.5139 1.5159 1.7974 1.7983 2.0482 2.0492 2.7412 2.7412 2.7469 2.7519 2.9528 2.9530 3.2451 3.2452 3.2992 3.3023 3.8508 3.8546 3.9238 3.9250 4.1623 4.1633 4.7497 4.7521 5.0851 5.0851 5.6883 5.6890 5.6937 5.6940 10.4215 10.4218 10.7336 10.7361 12.5335 12.5365 13.3780 13.3812 14.6331 14.6338 14.8347 14.8350 k = 0.4487-0.0000 0.2838 ( 4606 PWs) bands (ev): -14.3730 -14.3729 -14.2028 -14.2027 -13.1910 -13.1909 -13.1490 -13.1487 -12.6534 -12.6532 -12.2990 -12.2988 -11.8560 -11.8559 -11.8101 -11.8101 -2.9363 -2.9358 -2.9033 -2.9031 -1.9578 -1.9572 -1.6345 -1.6345 -0.4948 -0.4936 -0.0865 -0.0863 0.2668 0.2674 0.4410 0.4414 1.4782 1.4788 1.5067 1.5082 1.7908 1.7916 2.0706 2.0714 2.7426 2.7428 2.7438 2.7482 2.9323 2.9323 3.2448 3.2449 3.3020 3.3047 3.8312 3.8344 3.9282 3.9292 4.1642 4.1651 4.7483 4.7502 5.0938 5.0938 5.6934 5.6935 5.6981 5.6988 10.4546 10.4548 10.7852 10.7874 12.4952 12.4978 13.3696 13.3722 14.6262 14.6268 14.8255 14.8257 k = 0.4615-0.0000 0.2838 ( 4608 PWs) bands (ev): -14.3618 -14.3617 -14.1931 -14.1930 -13.2045 -13.2044 -13.1585 -13.1583 -12.6552 -12.6551 -12.2984 -12.2983 -11.8563 -11.8563 -11.8113 -11.8113 -2.9322 -2.9319 -2.8946 -2.8945 -1.9624 -1.9620 -1.6422 -1.6421 -0.4901 -0.4892 -0.0867 -0.0865 0.2643 0.2648 0.4442 0.4445 1.4793 1.4798 1.5010 1.5022 1.7856 1.7863 2.0892 2.0898 2.7405 2.7421 2.7461 2.7476 2.9143 2.9143 3.2446 3.2447 3.3047 3.3069 3.8155 3.8180 3.9314 3.9322 4.1659 4.1666 4.7472 4.7486 5.1003 5.1004 5.6943 5.6943 5.7050 5.7054 10.4808 10.4810 10.8276 10.8293 12.4635 12.4655 13.3628 13.3648 14.6206 14.6210 14.8181 14.8182 k = 0.4744-0.0000 0.2838 ( 4610 PWs) bands (ev): -14.3535 -14.3535 -14.1860 -14.1859 -13.2144 -13.2143 -13.1655 -13.1653 -12.6565 -12.6564 -12.2979 -12.2979 -11.8565 -11.8565 -11.8122 -11.8122 -2.9292 -2.9290 -2.8883 -2.8882 -1.9657 -1.9654 -1.6477 -1.6477 -0.4867 -0.4861 -0.0868 -0.0867 0.2626 0.2629 0.4465 0.4467 1.4801 1.4805 1.4969 1.4977 1.7820 1.7824 2.1033 2.1037 2.7388 2.7402 2.7487 2.7494 2.9000 2.9001 3.2444 3.2445 3.3071 3.3087 3.8040 3.8058 3.9337 3.9343 4.1671 4.1677 4.7464 4.7474 5.1050 5.1050 5.6947 5.6947 5.7102 5.7105 10.4999 10.5000 10.8593 10.8605 12.4397 12.4411 13.3578 13.3592 14.6164 14.6167 14.8127 14.8128 k = 0.4872-0.0000 0.2838 ( 4610 PWs) bands (ev): -14.3485 -14.3485 -14.1816 -14.1816 -13.2204 -13.2203 -13.1697 -13.1696 -12.6572 -12.6572 -12.2977 -12.2976 -11.8567 -11.8567 -11.8127 -11.8127 -2.9274 -2.9273 -2.8844 -2.8844 -1.9676 -1.9675 -1.6510 -1.6510 -0.4846 -0.4843 -0.0869 -0.0868 0.2616 0.2618 0.4479 0.4480 1.4806 1.4808 1.4946 1.4950 1.7799 1.7801 2.1121 2.1123 2.7380 2.7388 2.7507 2.7510 2.8908 2.8909 3.2444 3.2444 3.3089 3.3097 3.7972 3.7981 3.9351 3.9354 4.1680 4.1683 4.7461 4.7466 5.1077 5.1077 5.6949 5.6949 5.7134 5.7136 10.5114 10.5115 10.8790 10.8796 12.4250 12.4258 13.3549 13.3556 14.6139 14.6141 14.8094 14.8095 k = 0.5000-0.0000 0.2838 ( 4612 PWs) bands (ev): -14.3468 -14.3468 -14.1801 -14.1801 -13.2224 -13.2224 -13.1711 -13.1711 -12.6575 -12.6575 -12.2976 -12.2976 -11.8567 -11.8567 -11.8129 -11.8129 -2.9268 -2.9268 -2.8831 -2.8831 -1.9682 -1.9682 -1.6522 -1.6522 -0.4838 -0.4838 -0.0869 -0.0869 0.2613 0.2613 0.4484 0.4484 1.4809 1.4809 1.4939 1.4939 1.7792 1.7792 2.1151 2.1151 2.7380 2.7380 2.7516 2.7516 2.8876 2.8876 3.2443 3.2443 3.3098 3.3098 3.7952 3.7952 3.9357 3.9357 4.1684 4.1684 4.7461 4.7461 5.1086 5.1086 5.6950 5.6950 5.7146 5.7146 10.5153 10.5153 10.8858 10.8858 12.4203 12.4203 13.3542 13.3542 14.6131 14.6131 14.8083 14.8083 Writing output data file SiO2.save init_run : 1.72s CPU 11.60s WALL ( 1 calls) electrons : 1777.20s CPU 1792.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 1777.14s CPU 1792.00s WALL ( 1 calls) v_of_rho : 0.03s CPU 1.02s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.02s CPU 0.61s WALL ( 1 calls) newd : 0.11s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.15s WALL ( 290 calls) cegterg : 1727.95s CPU 1739.41s WALL ( 1127 calls) Called by sum_band: Called by *egterg: h_psi : 493.47s CPU 505.77s WALL ( 21563 calls) s_psi : 42.93s CPU 44.39s WALL ( 21563 calls) g_psi : 1.36s CPU 1.31s WALL ( 20146 calls) cdiaghg : 937.90s CPU 933.99s WALL ( 20436 calls) cegterg:over : 135.73s CPU 129.95s WALL ( 20146 calls) cegterg:upda : 38.33s CPU 43.57s WALL ( 20146 calls) cegterg:last : 24.60s CPU 25.29s WALL ( 2287 calls) Called by h_psi: h_psi:vloc : 377.27s CPU 388.19s WALL ( 21563 calls) h_psi:vnl : 115.61s CPU 116.10s WALL ( 21563 calls) add_vuspsi : 33.66s CPU 39.34s WALL ( 21563 calls) General routines calbec : 81.88s CPU 76.64s WALL ( 21563 calls) fft : 0.25s CPU 1.28s WALL ( 19 calls) ffts : 0.01s CPU 0.13s WALL ( 4 calls) fftw : 359.34s CPU 368.55s WALL ( 2136584 calls) interpolate : 0.01s CPU 0.13s WALL ( 4 calls) davcio : 0.03s CPU 1.53s WALL ( 580 calls) Parallel routines fft_scatter : 229.54s CPU 236.33s WALL ( 2136607 calls) PWSCF : 30m39.10s CPU 32m51.09s WALL This run was terminated on: 7:26: 8 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=