Program PWSCF v.5.4.0 starts on 11Feb2017 at 4: 8: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HC2N3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 24 7 1259 524 87 Max 44 25 8 1264 543 92 Sum 1557 873 261 45403 19169 3169 bravais-lattice index = 14 lattice parameter (alat) = 8.2954 a.u. unit-cell volume = 454.4537 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.295449 celldm(2)= 1.000000 celldm(3)= 0.912031 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.487914 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.487914 0.872892 0.000000 ) a(3) = ( 0.000000 0.000000 0.912031 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.558963 -0.000000 ) b(2) = ( 0.000000 1.145618 -0.000000 ) b(3) = ( 0.000000 0.000000 1.096454 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 450 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 2) = ( 0.0070009 0.0119335 -0.0000000), wk = 0.0022222 k( 3) = ( 0.0140017 0.0238670 -0.0000000), wk = 0.0022222 k( 4) = ( 0.0210026 0.0358006 -0.0000000), wk = 0.0022222 k( 5) = ( 0.0280034 0.0477341 -0.0000000), wk = 0.0022222 k( 6) = ( 0.0350043 0.0596676 -0.0000000), wk = 0.0022222 k( 7) = ( 0.0420051 0.0716011 -0.0000000), wk = 0.0022222 k( 8) = ( 0.0490060 0.0835346 -0.0000000), wk = 0.0022222 k( 9) = ( 0.0560068 0.0954681 -0.0000000), wk = 0.0022222 k( 10) = ( 0.0630077 0.1074017 -0.0000000), wk = 0.0022222 k( 11) = ( 0.0700085 0.1193352 -0.0000000), wk = 0.0022222 k( 12) = ( 0.0770094 0.1312687 -0.0000000), wk = 0.0022222 k( 13) = ( 0.0840102 0.1432022 -0.0000000), wk = 0.0022222 k( 14) = ( 0.0910111 0.1551357 -0.0000000), wk = 0.0022222 k( 15) = ( 0.0980119 0.1670692 -0.0000000), wk = 0.0022222 k( 16) = ( 0.1050128 0.1790028 -0.0000000), wk = 0.0022222 k( 17) = ( 0.1120136 0.1909363 -0.0000000), wk = 0.0022222 k( 18) = ( 0.1190145 0.2028698 -0.0000000), wk = 0.0022222 k( 19) = ( 0.1260153 0.2148033 -0.0000000), wk = 0.0022222 k( 20) = ( 0.1330162 0.2267368 -0.0000000), wk = 0.0022222 k( 21) = ( 0.1400170 0.2386703 -0.0000000), wk = 0.0022222 k( 22) = ( 0.1470179 0.2506039 -0.0000000), wk = 0.0022222 k( 23) = ( 0.1540187 0.2625374 -0.0000000), wk = 0.0022222 k( 24) = ( 0.1610196 0.2744709 -0.0000000), wk = 0.0022222 k( 25) = ( 0.1680204 0.2864044 -0.0000000), wk = 0.0022222 k( 26) = ( 0.1750213 0.2983379 -0.0000000), wk = 0.0022222 k( 27) = ( 0.1820221 0.3102714 -0.0000000), wk = 0.0022222 k( 28) = ( 0.1890230 0.3222050 -0.0000000), wk = 0.0022222 k( 29) = ( 0.1960238 0.3341385 -0.0000000), wk = 0.0022222 k( 30) = ( 0.2030247 0.3460720 -0.0000000), wk = 0.0022222 k( 31) = ( 0.2100256 0.3580055 -0.0000000), wk = 0.0022222 k( 32) = ( 0.2170264 0.3699390 -0.0000000), wk = 0.0022222 k( 33) = ( 0.2240273 0.3818725 -0.0000000), wk = 0.0022222 k( 34) = ( 0.2310281 0.3938061 -0.0000000), wk = 0.0022222 k( 35) = ( 0.2380290 0.4057396 -0.0000000), wk = 0.0022222 k( 36) = ( 0.2450298 0.4176731 -0.0000000), wk = 0.0022222 k( 37) = ( 0.2520307 0.4296066 -0.0000000), wk = 0.0022222 k( 38) = ( 0.2590315 0.4415401 -0.0000000), wk = 0.0022222 k( 39) = ( 0.2660324 0.4534736 -0.0000000), wk = 0.0022222 k( 40) = ( 0.2730332 0.4654072 -0.0000000), wk = 0.0022222 k( 41) = ( 0.2800341 0.4773407 -0.0000000), wk = 0.0022222 k( 42) = ( 0.2870349 0.4892742 -0.0000000), wk = 0.0022222 k( 43) = ( 0.2940358 0.5012077 -0.0000000), wk = 0.0022222 k( 44) = ( 0.3010366 0.5131412 -0.0000000), wk = 0.0022222 k( 45) = ( 0.3080375 0.5250747 -0.0000000), wk = 0.0022222 k( 46) = ( 0.3150383 0.5370083 -0.0000000), wk = 0.0022222 k( 47) = ( 0.3220392 0.5489418 -0.0000000), wk = 0.0022222 k( 48) = ( 0.3290400 0.5608753 -0.0000000), wk = 0.0022222 k( 49) = ( 0.3360409 0.5728088 -0.0000000), wk = 0.0022222 k( 50) = ( 0.3360409 0.5728088 -0.0000000), wk = 0.0022222 k( 51) = ( 0.3225993 0.5728088 -0.0000000), wk = 0.0022222 k( 52) = ( 0.3091576 0.5728088 -0.0000000), wk = 0.0022222 k( 53) = ( 0.2957160 0.5728088 -0.0000000), wk = 0.0022222 k( 54) = ( 0.2822743 0.5728088 -0.0000000), wk = 0.0022222 k( 55) = ( 0.2688327 0.5728088 -0.0000000), wk = 0.0022222 k( 56) = ( 0.2553911 0.5728088 -0.0000000), wk = 0.0022222 k( 57) = ( 0.2419494 0.5728088 -0.0000000), wk = 0.0022222 k( 58) = ( 0.2285078 0.5728088 -0.0000000), wk = 0.0022222 k( 59) = ( 0.2150662 0.5728088 -0.0000000), wk = 0.0022222 k( 60) = ( 0.2016245 0.5728088 -0.0000000), wk = 0.0022222 k( 61) = ( 0.1881829 0.5728088 -0.0000000), wk = 0.0022222 k( 62) = ( 0.1747413 0.5728088 -0.0000000), wk = 0.0022222 k( 63) = ( 0.1612996 0.5728088 -0.0000000), wk = 0.0022222 k( 64) = ( 0.1478580 0.5728088 -0.0000000), wk = 0.0022222 k( 65) = ( 0.1344163 0.5728088 -0.0000000), wk = 0.0022222 k( 66) = ( 0.1209747 0.5728088 -0.0000000), wk = 0.0022222 k( 67) = ( 0.1075331 0.5728088 -0.0000000), wk = 0.0022222 k( 68) = ( 0.0940914 0.5728088 -0.0000000), wk = 0.0022222 k( 69) = ( 0.0806498 0.5728088 -0.0000000), wk = 0.0022222 k( 70) = ( 0.0672082 0.5728088 -0.0000000), wk = 0.0022222 k( 71) = ( 0.0537665 0.5728088 -0.0000000), wk = 0.0022222 k( 72) = ( 0.0403249 0.5728088 -0.0000000), wk = 0.0022222 k( 73) = ( 0.0268833 0.5728088 -0.0000000), wk = 0.0022222 k( 74) = ( 0.0134416 0.5728088 -0.0000000), wk = 0.0022222 k( 75) = ( 0.0000000 0.5728088 -0.0000000), wk = 0.0022222 k( 76) = ( 0.0000000 0.5728088 -0.0000000), wk = 0.0022222 k( 77) = ( 0.0000000 0.5728088 0.0137057), wk = 0.0022222 k( 78) = ( 0.0000000 0.5728088 0.0274113), wk = 0.0022222 k( 79) = ( 0.0000000 0.5728088 0.0411170), wk = 0.0022222 k( 80) = ( 0.0000000 0.5728088 0.0548227), wk = 0.0022222 k( 81) = ( 0.0000000 0.5728088 0.0685284), wk = 0.0022222 k( 82) = ( 0.0000000 0.5728088 0.0822340), wk = 0.0022222 k( 83) = ( 0.0000000 0.5728088 0.0959397), wk = 0.0022222 k( 84) = ( 0.0000000 0.5728088 0.1096454), wk = 0.0022222 k( 85) = ( 0.0000000 0.5728088 0.1233511), wk = 0.0022222 k( 86) = ( 0.0000000 0.5728088 0.1370567), wk = 0.0022222 k( 87) = ( 0.0000000 0.5728088 0.1507624), wk = 0.0022222 k( 88) = ( 0.0000000 0.5728088 0.1644681), wk = 0.0022222 k( 89) = ( 0.0000000 0.5728088 0.1781738), wk = 0.0022222 k( 90) = ( 0.0000000 0.5728088 0.1918794), wk = 0.0022222 k( 91) = ( 0.0000000 0.5728088 0.2055851), wk = 0.0022222 k( 92) = ( 0.0000000 0.5728088 0.2192908), wk = 0.0022222 k( 93) = ( 0.0000000 0.5728088 0.2329965), wk = 0.0022222 k( 94) = ( 0.0000000 0.5728088 0.2467021), wk = 0.0022222 k( 95) = ( 0.0000000 0.5728088 0.2604078), wk = 0.0022222 k( 96) = ( 0.0000000 0.5728088 0.2741135), wk = 0.0022222 k( 97) = ( 0.0000000 0.5728088 0.2878192), wk = 0.0022222 k( 98) = ( 0.0000000 0.5728088 0.3015248), wk = 0.0022222 k( 99) = ( 0.0000000 0.5728088 0.3152305), wk = 0.0022222 k( 100) = ( 0.0000000 0.5728088 0.3289362), wk = 0.0022222 k( 101) = ( 0.0000000 0.5728088 0.3426419), wk = 0.0022222 k( 102) = ( 0.0000000 0.5728088 0.3563475), wk = 0.0022222 k( 103) = ( 0.0000000 0.5728088 0.3700532), wk = 0.0022222 k( 104) = ( 0.0000000 0.5728088 0.3837589), wk = 0.0022222 k( 105) = ( 0.0000000 0.5728088 0.3974646), wk = 0.0022222 k( 106) = ( 0.0000000 0.5728088 0.4111702), wk = 0.0022222 k( 107) = ( 0.0000000 0.5728088 0.4248759), wk = 0.0022222 k( 108) = ( 0.0000000 0.5728088 0.4385816), wk = 0.0022222 k( 109) = ( 0.0000000 0.5728088 0.4522873), wk = 0.0022222 k( 110) = ( 0.0000000 0.5728088 0.4659929), wk = 0.0022222 k( 111) = ( 0.0000000 0.5728088 0.4796986), wk = 0.0022222 k( 112) = ( 0.0000000 0.5728088 0.4934043), wk = 0.0022222 k( 113) = ( 0.0000000 0.5728088 0.5071099), wk = 0.0022222 k( 114) = ( 0.0000000 0.5728088 0.5208156), wk = 0.0022222 k( 115) = ( 0.0000000 0.5728088 0.5345213), wk = 0.0022222 k( 116) = ( 0.0000000 0.5728088 0.5482270), wk = 0.0022222 k( 117) = ( 0.0000000 0.5728088 0.5482270), wk = 0.0022222 k( 118) = ( 0.0134416 0.5728088 0.5482270), wk = 0.0022222 k( 119) = ( 0.0268833 0.5728088 0.5482270), wk = 0.0022222 k( 120) = ( 0.0403249 0.5728088 0.5482270), wk = 0.0022222 k( 121) = ( 0.0537665 0.5728088 0.5482270), wk = 0.0022222 k( 122) = ( 0.0672082 0.5728088 0.5482270), wk = 0.0022222 k( 123) = ( 0.0806498 0.5728088 0.5482270), wk = 0.0022222 k( 124) = ( 0.0940914 0.5728088 0.5482270), wk = 0.0022222 k( 125) = ( 0.1075331 0.5728088 0.5482270), wk = 0.0022222 k( 126) = ( 0.1209747 0.5728088 0.5482270), wk = 0.0022222 k( 127) = ( 0.1344163 0.5728088 0.5482270), wk = 0.0022222 k( 128) = ( 0.1478580 0.5728088 0.5482270), wk = 0.0022222 k( 129) = ( 0.1612996 0.5728088 0.5482270), wk = 0.0022222 k( 130) = ( 0.1747413 0.5728088 0.5482270), wk = 0.0022222 k( 131) = ( 0.1881829 0.5728088 0.5482270), wk = 0.0022222 k( 132) = ( 0.2016245 0.5728088 0.5482270), wk = 0.0022222 k( 133) = ( 0.2150662 0.5728088 0.5482270), wk = 0.0022222 k( 134) = ( 0.2285078 0.5728088 0.5482270), wk = 0.0022222 k( 135) = ( 0.2419494 0.5728088 0.5482270), wk = 0.0022222 k( 136) = ( 0.2553911 0.5728088 0.5482270), wk = 0.0022222 k( 137) = ( 0.2688327 0.5728088 0.5482270), wk = 0.0022222 k( 138) = ( 0.2822743 0.5728088 0.5482270), wk = 0.0022222 k( 139) = ( 0.2957160 0.5728088 0.5482270), wk = 0.0022222 k( 140) = ( 0.3091576 0.5728088 0.5482270), wk = 0.0022222 k( 141) = ( 0.3225993 0.5728088 0.5482270), wk = 0.0022222 k( 142) = ( 0.3360409 0.5728088 0.5482270), wk = 0.0022222 k( 143) = ( 0.3360409 0.5728088 0.5482270), wk = 0.0022222 k( 144) = ( 0.3290400 0.5608753 0.5482270), wk = 0.0022222 k( 145) = ( 0.3220392 0.5489418 0.5482270), wk = 0.0022222 k( 146) = ( 0.3150383 0.5370083 0.5482270), wk = 0.0022222 k( 147) = ( 0.3080375 0.5250747 0.5482270), wk = 0.0022222 k( 148) = ( 0.3010366 0.5131412 0.5482270), wk = 0.0022222 k( 149) = ( 0.2940358 0.5012077 0.5482270), wk = 0.0022222 k( 150) = ( 0.2870349 0.4892742 0.5482270), wk = 0.0022222 k( 151) = ( 0.2800341 0.4773407 0.5482270), wk = 0.0022222 k( 152) = ( 0.2730332 0.4654072 0.5482270), wk = 0.0022222 k( 153) = ( 0.2660324 0.4534736 0.5482270), wk = 0.0022222 k( 154) = ( 0.2590315 0.4415401 0.5482270), wk = 0.0022222 k( 155) = ( 0.2520307 0.4296066 0.5482270), wk = 0.0022222 k( 156) = ( 0.2450298 0.4176731 0.5482270), wk = 0.0022222 k( 157) = ( 0.2380290 0.4057396 0.5482270), wk = 0.0022222 k( 158) = ( 0.2310281 0.3938061 0.5482270), wk = 0.0022222 k( 159) = ( 0.2240273 0.3818725 0.5482270), wk = 0.0022222 k( 160) = ( 0.2170264 0.3699390 0.5482270), wk = 0.0022222 k( 161) = ( 0.2100256 0.3580055 0.5482270), wk = 0.0022222 k( 162) = ( 0.2030247 0.3460720 0.5482270), wk = 0.0022222 k( 163) = ( 0.1960238 0.3341385 0.5482270), wk = 0.0022222 k( 164) = ( 0.1890230 0.3222050 0.5482270), wk = 0.0022222 k( 165) = ( 0.1820221 0.3102714 0.5482270), wk = 0.0022222 k( 166) = ( 0.1750213 0.2983379 0.5482270), wk = 0.0022222 k( 167) = ( 0.1680204 0.2864044 0.5482270), wk = 0.0022222 k( 168) = ( 0.1610196 0.2744709 0.5482270), wk = 0.0022222 k( 169) = ( 0.1540187 0.2625374 0.5482270), wk = 0.0022222 k( 170) = ( 0.1470179 0.2506039 0.5482270), wk = 0.0022222 k( 171) = ( 0.1400170 0.2386703 0.5482270), wk = 0.0022222 k( 172) = ( 0.1330162 0.2267368 0.5482270), wk = 0.0022222 k( 173) = ( 0.1260153 0.2148033 0.5482270), wk = 0.0022222 k( 174) = ( 0.1190145 0.2028698 0.5482270), wk = 0.0022222 k( 175) = ( 0.1120136 0.1909363 0.5482270), wk = 0.0022222 k( 176) = ( 0.1050128 0.1790028 0.5482270), wk = 0.0022222 k( 177) = ( 0.0980119 0.1670692 0.5482270), wk = 0.0022222 k( 178) = ( 0.0910111 0.1551357 0.5482270), wk = 0.0022222 k( 179) = ( 0.0840102 0.1432022 0.5482270), wk = 0.0022222 k( 180) = ( 0.0770094 0.1312687 0.5482270), wk = 0.0022222 k( 181) = ( 0.0700085 0.1193352 0.5482270), wk = 0.0022222 k( 182) = ( 0.0630077 0.1074017 0.5482270), wk = 0.0022222 k( 183) = ( 0.0560068 0.0954681 0.5482270), wk = 0.0022222 k( 184) = ( 0.0490060 0.0835346 0.5482270), wk = 0.0022222 k( 185) = ( 0.0420051 0.0716011 0.5482270), wk = 0.0022222 k( 186) = ( 0.0350043 0.0596676 0.5482270), wk = 0.0022222 k( 187) = ( 0.0280034 0.0477341 0.5482270), wk = 0.0022222 k( 188) = ( 0.0210026 0.0358006 0.5482270), wk = 0.0022222 k( 189) = ( 0.0140017 0.0238670 0.5482270), wk = 0.0022222 k( 190) = ( 0.0070009 0.0119335 0.5482270), wk = 0.0022222 k( 191) = ( 0.0000000 0.0000000 0.5482270), wk = 0.0022222 k( 192) = ( 0.0000000 0.0000000 0.5482270), wk = 0.0022222 k( 193) = ( 0.0000000 0.0000000 0.5345213), wk = 0.0022222 k( 194) = ( 0.0000000 0.0000000 0.5208156), wk = 0.0022222 k( 195) = ( 0.0000000 0.0000000 0.5071099), wk = 0.0022222 k( 196) = ( 0.0000000 0.0000000 0.4934043), wk = 0.0022222 k( 197) = ( 0.0000000 0.0000000 0.4796986), wk = 0.0022222 k( 198) = ( 0.0000000 0.0000000 0.4659929), wk = 0.0022222 k( 199) = ( 0.0000000 0.0000000 0.4522873), wk = 0.0022222 k( 200) = ( 0.0000000 0.0000000 0.4385816), wk = 0.0022222 k( 201) = ( 0.0000000 0.0000000 0.4248759), wk = 0.0022222 k( 202) = ( 0.0000000 0.0000000 0.4111702), wk = 0.0022222 k( 203) = ( 0.0000000 0.0000000 0.3974646), wk = 0.0022222 k( 204) = ( 0.0000000 0.0000000 0.3837589), wk = 0.0022222 k( 205) = ( 0.0000000 0.0000000 0.3700532), wk = 0.0022222 k( 206) = ( 0.0000000 0.0000000 0.3563475), wk = 0.0022222 k( 207) = ( 0.0000000 0.0000000 0.3426419), wk = 0.0022222 k( 208) = ( 0.0000000 0.0000000 0.3289362), wk = 0.0022222 k( 209) = ( 0.0000000 0.0000000 0.3152305), wk = 0.0022222 k( 210) = ( 0.0000000 0.0000000 0.3015248), wk = 0.0022222 k( 211) = ( 0.0000000 0.0000000 0.2878192), wk = 0.0022222 k( 212) = ( 0.0000000 0.0000000 0.2741135), wk = 0.0022222 k( 213) = ( 0.0000000 0.0000000 0.2604078), wk = 0.0022222 k( 214) = ( 0.0000000 0.0000000 0.2467021), wk = 0.0022222 k( 215) = ( 0.0000000 0.0000000 0.2329965), wk = 0.0022222 k( 216) = ( 0.0000000 0.0000000 0.2192908), wk = 0.0022222 k( 217) = ( 0.0000000 0.0000000 0.2055851), wk = 0.0022222 k( 218) = ( 0.0000000 0.0000000 0.1918794), wk = 0.0022222 k( 219) = ( 0.0000000 0.0000000 0.1781738), wk = 0.0022222 k( 220) = ( 0.0000000 0.0000000 0.1644681), wk = 0.0022222 k( 221) = ( 0.0000000 0.0000000 0.1507624), wk = 0.0022222 k( 222) = ( 0.0000000 0.0000000 0.1370567), wk = 0.0022222 k( 223) = ( 0.0000000 0.0000000 0.1233511), wk = 0.0022222 k( 224) = ( 0.0000000 0.0000000 0.1096454), wk = 0.0022222 k( 225) = ( 0.0000000 0.0000000 0.0959397), wk = 0.0022222 k( 226) = ( 0.0000000 0.0000000 0.0822340), wk = 0.0022222 k( 227) = ( 0.0000000 0.0000000 0.0685284), wk = 0.0022222 k( 228) = ( 0.0000000 0.0000000 0.0548227), wk = 0.0022222 k( 229) = ( 0.0000000 0.0000000 0.0411170), wk = 0.0022222 k( 230) = ( 0.0000000 0.0000000 0.0274113), wk = 0.0022222 k( 231) = ( 0.0000000 0.0000000 0.0137057), wk = 0.0022222 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 233) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 234) = ( -0.0119048 0.0069840 0.0000000), wk = 0.0022222 k( 235) = ( -0.0238095 0.0139680 0.0000000), wk = 0.0022222 k( 236) = ( -0.0357143 0.0209519 0.0000000), wk = 0.0022222 k( 237) = ( -0.0476191 0.0279359 0.0000000), wk = 0.0022222 k( 238) = ( -0.0595238 0.0349199 0.0000000), wk = 0.0022222 k( 239) = ( -0.0714286 0.0419039 0.0000000), wk = 0.0022222 k( 240) = ( -0.0833333 0.0488879 0.0000000), wk = 0.0022222 k( 241) = ( -0.0952381 0.0558719 0.0000000), wk = 0.0022222 k( 242) = ( -0.1071429 0.0628558 0.0000000), wk = 0.0022222 k( 243) = ( -0.1190476 0.0698398 0.0000000), wk = 0.0022222 k( 244) = ( -0.1309524 0.0768238 0.0000000), wk = 0.0022222 k( 245) = ( -0.1428571 0.0838078 0.0000000), wk = 0.0022222 k( 246) = ( -0.1547619 0.0907918 0.0000000), wk = 0.0022222 k( 247) = ( -0.1666667 0.0977758 0.0000000), wk = 0.0022222 k( 248) = ( -0.1785714 0.1047597 0.0000000), wk = 0.0022222 k( 249) = ( -0.1904762 0.1117437 0.0000000), wk = 0.0022222 k( 250) = ( -0.2023810 0.1187277 0.0000000), wk = 0.0022222 k( 251) = ( -0.2142857 0.1257117 0.0000000), wk = 0.0022222 k( 252) = ( -0.2261905 0.1326957 0.0000000), wk = 0.0022222 k( 253) = ( -0.2380952 0.1396796 0.0000000), wk = 0.0022222 k( 254) = ( -0.2500000 0.1466636 0.0000000), wk = 0.0022222 k( 255) = ( -0.2619048 0.1536476 0.0000000), wk = 0.0022222 k( 256) = ( -0.2738095 0.1606316 0.0000000), wk = 0.0022222 k( 257) = ( -0.2857143 0.1676156 0.0000000), wk = 0.0022222 k( 258) = ( -0.2976190 0.1745996 0.0000000), wk = 0.0022222 k( 259) = ( -0.3095238 0.1815835 0.0000000), wk = 0.0022222 k( 260) = ( -0.3214286 0.1885675 0.0000000), wk = 0.0022222 k( 261) = ( -0.3333333 0.1955515 0.0000000), wk = 0.0022222 k( 262) = ( -0.3452381 0.2025355 0.0000000), wk = 0.0022222 k( 263) = ( -0.3571429 0.2095195 0.0000000), wk = 0.0022222 k( 264) = ( -0.3690476 0.2165035 0.0000000), wk = 0.0022222 k( 265) = ( -0.3809524 0.2234874 0.0000000), wk = 0.0022222 k( 266) = ( -0.3928571 0.2304714 0.0000000), wk = 0.0022222 k( 267) = ( -0.4047619 0.2374554 0.0000000), wk = 0.0022222 k( 268) = ( -0.4166667 0.2444394 0.0000000), wk = 0.0022222 k( 269) = ( -0.4285714 0.2514234 0.0000000), wk = 0.0022222 k( 270) = ( -0.4404762 0.2584073 0.0000000), wk = 0.0022222 k( 271) = ( -0.4523810 0.2653913 0.0000000), wk = 0.0022222 k( 272) = ( -0.4642857 0.2723753 0.0000000), wk = 0.0022222 k( 273) = ( -0.4761905 0.2793593 0.0000000), wk = 0.0022222 k( 274) = ( -0.4880952 0.2863433 0.0000000), wk = 0.0022222 k( 275) = ( -0.5000000 0.2933273 0.0000000), wk = 0.0022222 k( 276) = ( -0.5000000 0.2933273 0.0000000), wk = 0.0022222 k( 277) = ( -0.4931684 0.3049723 -0.0000000), wk = 0.0022222 k( 278) = ( -0.4863367 0.3166174 -0.0000000), wk = 0.0022222 k( 279) = ( -0.4795051 0.3282625 -0.0000000), wk = 0.0022222 k( 280) = ( -0.4726735 0.3399075 -0.0000000), wk = 0.0022222 k( 281) = ( -0.4658419 0.3515526 -0.0000000), wk = 0.0022222 k( 282) = ( -0.4590102 0.3631976 -0.0000000), wk = 0.0022222 k( 283) = ( -0.4521786 0.3748427 -0.0000000), wk = 0.0022222 k( 284) = ( -0.4453470 0.3864878 -0.0000000), wk = 0.0022222 k( 285) = ( -0.4385153 0.3981328 -0.0000000), wk = 0.0022222 k( 286) = ( -0.4316837 0.4097779 -0.0000000), wk = 0.0022222 k( 287) = ( -0.4248521 0.4214230 -0.0000000), wk = 0.0022222 k( 288) = ( -0.4180204 0.4330680 -0.0000000), wk = 0.0022222 k( 289) = ( -0.4111888 0.4447131 -0.0000000), wk = 0.0022222 k( 290) = ( -0.4043572 0.4563582 -0.0000000), wk = 0.0022222 k( 291) = ( -0.3975256 0.4680032 -0.0000000), wk = 0.0022222 k( 292) = ( -0.3906939 0.4796483 -0.0000000), wk = 0.0022222 k( 293) = ( -0.3838623 0.4912934 -0.0000000), wk = 0.0022222 k( 294) = ( -0.3770307 0.5029384 -0.0000000), wk = 0.0022222 k( 295) = ( -0.3701990 0.5145835 -0.0000000), wk = 0.0022222 k( 296) = ( -0.3633674 0.5262286 -0.0000000), wk = 0.0022222 k( 297) = ( -0.3565358 0.5378736 -0.0000000), wk = 0.0022222 k( 298) = ( -0.3497041 0.5495187 -0.0000000), wk = 0.0022222 k( 299) = ( -0.3428725 0.5611638 -0.0000000), wk = 0.0022222 k( 300) = ( -0.3360409 0.5728088 -0.0000000), wk = 0.0022222 k( 301) = ( -0.3360409 0.5728088 -0.0000000), wk = 0.0022222 k( 302) = ( -0.3360409 0.5728088 0.0137057), wk = 0.0022222 k( 303) = ( -0.3360409 0.5728088 0.0274113), wk = 0.0022222 k( 304) = ( -0.3360409 0.5728088 0.0411170), wk = 0.0022222 k( 305) = ( -0.3360409 0.5728088 0.0548227), wk = 0.0022222 k( 306) = ( -0.3360409 0.5728088 0.0685284), wk = 0.0022222 k( 307) = ( -0.3360409 0.5728088 0.0822340), wk = 0.0022222 k( 308) = ( -0.3360409 0.5728088 0.0959397), wk = 0.0022222 k( 309) = ( -0.3360409 0.5728088 0.1096454), wk = 0.0022222 k( 310) = ( -0.3360409 0.5728088 0.1233511), wk = 0.0022222 k( 311) = ( -0.3360409 0.5728088 0.1370567), wk = 0.0022222 k( 312) = ( -0.3360409 0.5728088 0.1507624), wk = 0.0022222 k( 313) = ( -0.3360409 0.5728088 0.1644681), wk = 0.0022222 k( 314) = ( -0.3360409 0.5728088 0.1781738), wk = 0.0022222 k( 315) = ( -0.3360409 0.5728088 0.1918794), wk = 0.0022222 k( 316) = ( -0.3360409 0.5728088 0.2055851), wk = 0.0022222 k( 317) = ( -0.3360409 0.5728088 0.2192908), wk = 0.0022222 k( 318) = ( -0.3360409 0.5728088 0.2329965), wk = 0.0022222 k( 319) = ( -0.3360409 0.5728088 0.2467021), wk = 0.0022222 k( 320) = ( -0.3360409 0.5728088 0.2604078), wk = 0.0022222 k( 321) = ( -0.3360409 0.5728088 0.2741135), wk = 0.0022222 k( 322) = ( -0.3360409 0.5728088 0.2878192), wk = 0.0022222 k( 323) = ( -0.3360409 0.5728088 0.3015248), wk = 0.0022222 k( 324) = ( -0.3360409 0.5728088 0.3152305), wk = 0.0022222 k( 325) = ( -0.3360409 0.5728088 0.3289362), wk = 0.0022222 k( 326) = ( -0.3360409 0.5728088 0.3426419), wk = 0.0022222 k( 327) = ( -0.3360409 0.5728088 0.3563475), wk = 0.0022222 k( 328) = ( -0.3360409 0.5728088 0.3700532), wk = 0.0022222 k( 329) = ( -0.3360409 0.5728088 0.3837589), wk = 0.0022222 k( 330) = ( -0.3360409 0.5728088 0.3974646), wk = 0.0022222 k( 331) = ( -0.3360409 0.5728088 0.4111702), wk = 0.0022222 k( 332) = ( -0.3360409 0.5728088 0.4248759), wk = 0.0022222 k( 333) = ( -0.3360409 0.5728088 0.4385816), wk = 0.0022222 k( 334) = ( -0.3360409 0.5728088 0.4522873), wk = 0.0022222 k( 335) = ( -0.3360409 0.5728088 0.4659929), wk = 0.0022222 k( 336) = ( -0.3360409 0.5728088 0.4796986), wk = 0.0022222 k( 337) = ( -0.3360409 0.5728088 0.4934043), wk = 0.0022222 k( 338) = ( -0.3360409 0.5728088 0.5071099), wk = 0.0022222 k( 339) = ( -0.3360409 0.5728088 0.5208156), wk = 0.0022222 k( 340) = ( -0.3360409 0.5728088 0.5345213), wk = 0.0022222 k( 341) = ( -0.3360409 0.5728088 0.5482270), wk = 0.0022222 k( 342) = ( -0.3360409 0.5728088 0.5482270), wk = 0.0022222 k( 343) = ( -0.3428725 0.5611638 0.5482270), wk = 0.0022222 k( 344) = ( -0.3497041 0.5495187 0.5482270), wk = 0.0022222 k( 345) = ( -0.3565358 0.5378736 0.5482270), wk = 0.0022222 k( 346) = ( -0.3633674 0.5262286 0.5482270), wk = 0.0022222 k( 347) = ( -0.3701990 0.5145835 0.5482270), wk = 0.0022222 k( 348) = ( -0.3770307 0.5029384 0.5482270), wk = 0.0022222 k( 349) = ( -0.3838623 0.4912934 0.5482270), wk = 0.0022222 k( 350) = ( -0.3906939 0.4796483 0.5482270), wk = 0.0022222 k( 351) = ( -0.3975256 0.4680032 0.5482270), wk = 0.0022222 k( 352) = ( -0.4043572 0.4563582 0.5482270), wk = 0.0022222 k( 353) = ( -0.4111888 0.4447131 0.5482270), wk = 0.0022222 k( 354) = ( -0.4180204 0.4330680 0.5482270), wk = 0.0022222 k( 355) = ( -0.4248521 0.4214230 0.5482270), wk = 0.0022222 k( 356) = ( -0.4316837 0.4097779 0.5482270), wk = 0.0022222 k( 357) = ( -0.4385153 0.3981328 0.5482270), wk = 0.0022222 k( 358) = ( -0.4453470 0.3864878 0.5482270), wk = 0.0022222 k( 359) = ( -0.4521786 0.3748427 0.5482270), wk = 0.0022222 k( 360) = ( -0.4590102 0.3631976 0.5482270), wk = 0.0022222 k( 361) = ( -0.4658419 0.3515526 0.5482270), wk = 0.0022222 k( 362) = ( -0.4726735 0.3399075 0.5482270), wk = 0.0022222 k( 363) = ( -0.4795051 0.3282625 0.5482270), wk = 0.0022222 k( 364) = ( -0.4863367 0.3166174 0.5482270), wk = 0.0022222 k( 365) = ( -0.4931684 0.3049723 0.5482270), wk = 0.0022222 k( 366) = ( -0.5000000 0.2933273 0.5482270), wk = 0.0022222 k( 367) = ( -0.5000000 0.2933273 0.5482270), wk = 0.0022222 k( 368) = ( -0.5000000 0.2933273 0.5345213), wk = 0.0022222 k( 369) = ( -0.5000000 0.2933273 0.5208156), wk = 0.0022222 k( 370) = ( -0.5000000 0.2933273 0.5071099), wk = 0.0022222 k( 371) = ( -0.5000000 0.2933273 0.4934043), wk = 0.0022222 k( 372) = ( -0.5000000 0.2933273 0.4796986), wk = 0.0022222 k( 373) = ( -0.5000000 0.2933273 0.4659929), wk = 0.0022222 k( 374) = ( -0.5000000 0.2933273 0.4522873), wk = 0.0022222 k( 375) = ( -0.5000000 0.2933273 0.4385816), wk = 0.0022222 k( 376) = ( -0.5000000 0.2933273 0.4248759), wk = 0.0022222 k( 377) = ( -0.5000000 0.2933273 0.4111702), wk = 0.0022222 k( 378) = ( -0.5000000 0.2933273 0.3974646), wk = 0.0022222 k( 379) = ( -0.5000000 0.2933273 0.3837589), wk = 0.0022222 k( 380) = ( -0.5000000 0.2933273 0.3700532), wk = 0.0022222 k( 381) = ( -0.5000000 0.2933273 0.3563475), wk = 0.0022222 k( 382) = ( -0.5000000 0.2933273 0.3426419), wk = 0.0022222 k( 383) = ( -0.5000000 0.2933273 0.3289362), wk = 0.0022222 k( 384) = ( -0.5000000 0.2933273 0.3152305), wk = 0.0022222 k( 385) = ( -0.5000000 0.2933273 0.3015248), wk = 0.0022222 k( 386) = ( -0.5000000 0.2933273 0.2878192), wk = 0.0022222 k( 387) = ( -0.5000000 0.2933273 0.2741135), wk = 0.0022222 k( 388) = ( -0.5000000 0.2933273 0.2604078), wk = 0.0022222 k( 389) = ( -0.5000000 0.2933273 0.2467021), wk = 0.0022222 k( 390) = ( -0.5000000 0.2933273 0.2329965), wk = 0.0022222 k( 391) = ( -0.5000000 0.2933273 0.2192908), wk = 0.0022222 k( 392) = ( -0.5000000 0.2933273 0.2055851), wk = 0.0022222 k( 393) = ( -0.5000000 0.2933273 0.1918794), wk = 0.0022222 k( 394) = ( -0.5000000 0.2933273 0.1781738), wk = 0.0022222 k( 395) = ( -0.5000000 0.2933273 0.1644681), wk = 0.0022222 k( 396) = ( -0.5000000 0.2933273 0.1507624), wk = 0.0022222 k( 397) = ( -0.5000000 0.2933273 0.1370567), wk = 0.0022222 k( 398) = ( -0.5000000 0.2933273 0.1233511), wk = 0.0022222 k( 399) = ( -0.5000000 0.2933273 0.1096454), wk = 0.0022222 k( 400) = ( -0.5000000 0.2933273 0.0959397), wk = 0.0022222 k( 401) = ( -0.5000000 0.2933273 0.0822340), wk = 0.0022222 k( 402) = ( -0.5000000 0.2933273 0.0685284), wk = 0.0022222 k( 403) = ( -0.5000000 0.2933273 0.0548227), wk = 0.0022222 k( 404) = ( -0.5000000 0.2933273 0.0411170), wk = 0.0022222 k( 405) = ( -0.5000000 0.2933273 0.0274113), wk = 0.0022222 k( 406) = ( -0.5000000 0.2933273 0.0137057), wk = 0.0022222 k( 407) = ( -0.5000000 0.2933273 0.0000000), wk = 0.0022222 k( 408) = ( 0.0000000 0.0000000 0.5482270), wk = 0.0022222 k( 409) = ( -0.0119048 0.0069840 0.5482270), wk = 0.0022222 k( 410) = ( -0.0238095 0.0139680 0.5482270), wk = 0.0022222 k( 411) = ( -0.0357143 0.0209519 0.5482270), wk = 0.0022222 k( 412) = ( -0.0476191 0.0279359 0.5482270), wk = 0.0022222 k( 413) = ( -0.0595238 0.0349199 0.5482270), wk = 0.0022222 k( 414) = ( -0.0714286 0.0419039 0.5482270), wk = 0.0022222 k( 415) = ( -0.0833333 0.0488879 0.5482270), wk = 0.0022222 k( 416) = ( -0.0952381 0.0558719 0.5482270), wk = 0.0022222 k( 417) = ( -0.1071429 0.0628558 0.5482270), wk = 0.0022222 k( 418) = ( -0.1190476 0.0698398 0.5482270), wk = 0.0022222 k( 419) = ( -0.1309524 0.0768238 0.5482270), wk = 0.0022222 k( 420) = ( -0.1428571 0.0838078 0.5482270), wk = 0.0022222 k( 421) = ( -0.1547619 0.0907918 0.5482270), wk = 0.0022222 k( 422) = ( -0.1666667 0.0977758 0.5482270), wk = 0.0022222 k( 423) = ( -0.1785714 0.1047597 0.5482270), wk = 0.0022222 k( 424) = ( -0.1904762 0.1117437 0.5482270), wk = 0.0022222 k( 425) = ( -0.2023810 0.1187277 0.5482270), wk = 0.0022222 k( 426) = ( -0.2142857 0.1257117 0.5482270), wk = 0.0022222 k( 427) = ( -0.2261905 0.1326957 0.5482270), wk = 0.0022222 k( 428) = ( -0.2380952 0.1396796 0.5482270), wk = 0.0022222 k( 429) = ( -0.2500000 0.1466636 0.5482270), wk = 0.0022222 k( 430) = ( -0.2619048 0.1536476 0.5482270), wk = 0.0022222 k( 431) = ( -0.2738095 0.1606316 0.5482270), wk = 0.0022222 k( 432) = ( -0.2857143 0.1676156 0.5482270), wk = 0.0022222 k( 433) = ( -0.2976190 0.1745996 0.5482270), wk = 0.0022222 k( 434) = ( -0.3095238 0.1815835 0.5482270), wk = 0.0022222 k( 435) = ( -0.3214286 0.1885675 0.5482270), wk = 0.0022222 k( 436) = ( -0.3333333 0.1955515 0.5482270), wk = 0.0022222 k( 437) = ( -0.3452381 0.2025355 0.5482270), wk = 0.0022222 k( 438) = ( -0.3571429 0.2095195 0.5482270), wk = 0.0022222 k( 439) = ( -0.3690476 0.2165035 0.5482270), wk = 0.0022222 k( 440) = ( -0.3809524 0.2234874 0.5482270), wk = 0.0022222 k( 441) = ( -0.3928571 0.2304714 0.5482270), wk = 0.0022222 k( 442) = ( -0.4047619 0.2374554 0.5482270), wk = 0.0022222 k( 443) = ( -0.4166667 0.2444394 0.5482270), wk = 0.0022222 k( 444) = ( -0.4285714 0.2514234 0.5482270), wk = 0.0022222 k( 445) = ( -0.4404762 0.2584073 0.5482270), wk = 0.0022222 k( 446) = ( -0.4523810 0.2653913 0.5482270), wk = 0.0022222 k( 447) = ( -0.4642857 0.2723753 0.5482270), wk = 0.0022222 k( 448) = ( -0.4761905 0.2793593 0.5482270), wk = 0.0022222 k( 449) = ( -0.4880952 0.2863433 0.5482270), wk = 0.0022222 k( 450) = ( -0.5000000 0.2933273 0.5482270), wk = 0.0022222 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 2) = ( 0.0070009 0.0070009 0.0000000), wk = 0.0022222 k( 3) = ( 0.0140017 0.0140017 0.0000000), wk = 0.0022222 k( 4) = ( 0.0210026 0.0210026 -0.0000000), wk = 0.0022222 k( 5) = ( 0.0280034 0.0280034 -0.0000000), wk = 0.0022222 k( 6) = ( 0.0350043 0.0350043 0.0000000), wk = 0.0022222 k( 7) = ( 0.0420051 0.0420051 -0.0000000), wk = 0.0022222 k( 8) = ( 0.0490060 0.0490060 -0.0000000), wk = 0.0022222 k( 9) = ( 0.0560068 0.0560068 0.0000000), wk = 0.0022222 k( 10) = ( 0.0630077 0.0630077 0.0000000), wk = 0.0022222 k( 11) = ( 0.0700085 0.0700085 0.0000000), wk = 0.0022222 k( 12) = ( 0.0770094 0.0770094 -0.0000000), wk = 0.0022222 k( 13) = ( 0.0840102 0.0840102 -0.0000000), wk = 0.0022222 k( 14) = ( 0.0910111 0.0910111 -0.0000000), wk = 0.0022222 k( 15) = ( 0.0980119 0.0980119 -0.0000000), wk = 0.0022222 k( 16) = ( 0.1050128 0.1050128 -0.0000000), wk = 0.0022222 k( 17) = ( 0.1120136 0.1120136 0.0000000), wk = 0.0022222 k( 18) = ( 0.1190145 0.1190145 -0.0000000), wk = 0.0022222 k( 19) = ( 0.1260153 0.1260153 0.0000000), wk = 0.0022222 k( 20) = ( 0.1330162 0.1330162 0.0000000), wk = 0.0022222 k( 21) = ( 0.1400170 0.1400170 -0.0000000), wk = 0.0022222 k( 22) = ( 0.1470179 0.1470179 -0.0000000), wk = 0.0022222 k( 23) = ( 0.1540187 0.1540187 -0.0000000), wk = 0.0022222 k( 24) = ( 0.1610196 0.1610196 -0.0000000), wk = 0.0022222 k( 25) = ( 0.1680204 0.1680204 -0.0000000), wk = 0.0022222 k( 26) = ( 0.1750213 0.1750213 -0.0000000), wk = 0.0022222 k( 27) = ( 0.1820221 0.1820221 -0.0000000), wk = 0.0022222 k( 28) = ( 0.1890230 0.1890230 0.0000000), wk = 0.0022222 k( 29) = ( 0.1960238 0.1960238 -0.0000000), wk = 0.0022222 k( 30) = ( 0.2030247 0.2030247 -0.0000000), wk = 0.0022222 k( 31) = ( 0.2100256 0.2100256 -0.0000000), wk = 0.0022222 k( 32) = ( 0.2170264 0.2170264 0.0000000), wk = 0.0022222 k( 33) = ( 0.2240273 0.2240272 -0.0000000), wk = 0.0022222 k( 34) = ( 0.2310281 0.2310281 -0.0000000), wk = 0.0022222 k( 35) = ( 0.2380290 0.2380290 -0.0000000), wk = 0.0022222 k( 36) = ( 0.2450298 0.2450298 -0.0000000), wk = 0.0022222 k( 37) = ( 0.2520307 0.2520307 0.0000000), wk = 0.0022222 k( 38) = ( 0.2590315 0.2590315 0.0000000), wk = 0.0022222 k( 39) = ( 0.2660324 0.2660324 0.0000000), wk = 0.0022222 k( 40) = ( 0.2730332 0.2730332 -0.0000000), wk = 0.0022222 k( 41) = ( 0.2800341 0.2800341 0.0000000), wk = 0.0022222 k( 42) = ( 0.2870349 0.2870349 0.0000000), wk = 0.0022222 k( 43) = ( 0.2940358 0.2940358 0.0000000), wk = 0.0022222 k( 44) = ( 0.3010366 0.3010366 0.0000000), wk = 0.0022222 k( 45) = ( 0.3080375 0.3080375 -0.0000000), wk = 0.0022222 k( 46) = ( 0.3150383 0.3150383 0.0000000), wk = 0.0022222 k( 47) = ( 0.3220392 0.3220392 -0.0000000), wk = 0.0022222 k( 48) = ( 0.3290400 0.3290400 0.0000000), wk = 0.0022222 k( 49) = ( 0.3360409 0.3360409 -0.0000000), wk = 0.0022222 k( 50) = ( 0.3360409 0.3360409 -0.0000000), wk = 0.0022222 k( 51) = ( 0.3225993 0.3425993 -0.0000000), wk = 0.0022222 k( 52) = ( 0.3091576 0.3491576 0.0000000), wk = 0.0022222 k( 53) = ( 0.2957160 0.3557160 0.0000000), wk = 0.0022222 k( 54) = ( 0.2822743 0.3622743 -0.0000000), wk = 0.0022222 k( 55) = ( 0.2688327 0.3688327 -0.0000000), wk = 0.0022222 k( 56) = ( 0.2553911 0.3753911 -0.0000000), wk = 0.0022222 k( 57) = ( 0.2419494 0.3819494 0.0000000), wk = 0.0022222 k( 58) = ( 0.2285078 0.3885078 0.0000000), wk = 0.0022222 k( 59) = ( 0.2150662 0.3950662 -0.0000000), wk = 0.0022222 k( 60) = ( 0.2016245 0.4016245 0.0000000), wk = 0.0022222 k( 61) = ( 0.1881829 0.4081829 0.0000000), wk = 0.0022222 k( 62) = ( 0.1747413 0.4147413 0.0000000), wk = 0.0022222 k( 63) = ( 0.1612996 0.4212996 -0.0000000), wk = 0.0022222 k( 64) = ( 0.1478580 0.4278580 0.0000000), wk = 0.0022222 k( 65) = ( 0.1344163 0.4344164 0.0000000), wk = 0.0022222 k( 66) = ( 0.1209747 0.4409747 0.0000000), wk = 0.0022222 k( 67) = ( 0.1075331 0.4475331 -0.0000000), wk = 0.0022222 k( 68) = ( 0.0940914 0.4540915 0.0000000), wk = 0.0022222 k( 69) = ( 0.0806498 0.4606498 0.0000000), wk = 0.0022222 k( 70) = ( 0.0672082 0.4672082 0.0000000), wk = 0.0022222 k( 71) = ( 0.0537665 0.4737665 0.0000000), wk = 0.0022222 k( 72) = ( 0.0403249 0.4803249 0.0000000), wk = 0.0022222 k( 73) = ( 0.0268833 0.4868833 0.0000000), wk = 0.0022222 k( 74) = ( 0.0134416 0.4934416 0.0000000), wk = 0.0022222 k( 75) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022222 k( 76) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022222 k( 77) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0022222 k( 78) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0022222 k( 79) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0022222 k( 80) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0022222 k( 81) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0022222 k( 82) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0022222 k( 83) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0022222 k( 84) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0022222 k( 85) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0022222 k( 86) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0022222 k( 87) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0022222 k( 88) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0022222 k( 89) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0022222 k( 90) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0022222 k( 91) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0022222 k( 92) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0022222 k( 93) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0022222 k( 94) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0022222 k( 95) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0022222 k( 96) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022222 k( 97) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0022222 k( 98) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0022222 k( 99) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0022222 k( 100) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0022222 k( 101) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0022222 k( 102) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0022222 k( 103) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0022222 k( 104) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0022222 k( 105) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0022222 k( 106) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0022222 k( 107) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0022222 k( 108) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0022222 k( 109) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0022222 k( 110) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0022222 k( 111) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0022222 k( 112) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0022222 k( 113) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0022222 k( 114) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0022222 k( 115) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0022222 k( 116) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022222 k( 117) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022222 k( 118) = ( 0.0134416 0.4934416 0.5000000), wk = 0.0022222 k( 119) = ( 0.0268833 0.4868833 0.5000000), wk = 0.0022222 k( 120) = ( 0.0403249 0.4803249 0.5000000), wk = 0.0022222 k( 121) = ( 0.0537665 0.4737665 0.5000000), wk = 0.0022222 k( 122) = ( 0.0672082 0.4672082 0.5000000), wk = 0.0022222 k( 123) = ( 0.0806498 0.4606498 0.5000000), wk = 0.0022222 k( 124) = ( 0.0940914 0.4540915 0.5000000), wk = 0.0022222 k( 125) = ( 0.1075331 0.4475331 0.5000000), wk = 0.0022222 k( 126) = ( 0.1209747 0.4409747 0.5000000), wk = 0.0022222 k( 127) = ( 0.1344163 0.4344164 0.5000000), wk = 0.0022222 k( 128) = ( 0.1478580 0.4278580 0.5000000), wk = 0.0022222 k( 129) = ( 0.1612996 0.4212996 0.5000000), wk = 0.0022222 k( 130) = ( 0.1747413 0.4147413 0.5000000), wk = 0.0022222 k( 131) = ( 0.1881829 0.4081829 0.5000000), wk = 0.0022222 k( 132) = ( 0.2016245 0.4016245 0.5000000), wk = 0.0022222 k( 133) = ( 0.2150662 0.3950662 0.5000000), wk = 0.0022222 k( 134) = ( 0.2285078 0.3885078 0.5000000), wk = 0.0022222 k( 135) = ( 0.2419494 0.3819494 0.5000000), wk = 0.0022222 k( 136) = ( 0.2553911 0.3753911 0.5000000), wk = 0.0022222 k( 137) = ( 0.2688327 0.3688327 0.5000000), wk = 0.0022222 k( 138) = ( 0.2822743 0.3622743 0.5000000), wk = 0.0022222 k( 139) = ( 0.2957160 0.3557160 0.5000000), wk = 0.0022222 k( 140) = ( 0.3091576 0.3491576 0.5000000), wk = 0.0022222 k( 141) = ( 0.3225993 0.3425993 0.5000000), wk = 0.0022222 k( 142) = ( 0.3360409 0.3360409 0.5000000), wk = 0.0022222 k( 143) = ( 0.3360409 0.3360409 0.5000000), wk = 0.0022222 k( 144) = ( 0.3290400 0.3290400 0.5000000), wk = 0.0022222 k( 145) = ( 0.3220392 0.3220392 0.5000000), wk = 0.0022222 k( 146) = ( 0.3150383 0.3150383 0.5000000), wk = 0.0022222 k( 147) = ( 0.3080375 0.3080375 0.5000000), wk = 0.0022222 k( 148) = ( 0.3010366 0.3010366 0.5000000), wk = 0.0022222 k( 149) = ( 0.2940358 0.2940358 0.5000000), wk = 0.0022222 k( 150) = ( 0.2870349 0.2870349 0.5000000), wk = 0.0022222 k( 151) = ( 0.2800341 0.2800341 0.5000000), wk = 0.0022222 k( 152) = ( 0.2730332 0.2730332 0.5000000), wk = 0.0022222 k( 153) = ( 0.2660324 0.2660324 0.5000000), wk = 0.0022222 k( 154) = ( 0.2590315 0.2590315 0.5000000), wk = 0.0022222 k( 155) = ( 0.2520307 0.2520307 0.5000000), wk = 0.0022222 k( 156) = ( 0.2450298 0.2450298 0.5000000), wk = 0.0022222 k( 157) = ( 0.2380290 0.2380290 0.5000000), wk = 0.0022222 k( 158) = ( 0.2310281 0.2310281 0.5000000), wk = 0.0022222 k( 159) = ( 0.2240273 0.2240272 0.5000000), wk = 0.0022222 k( 160) = ( 0.2170264 0.2170264 0.5000000), wk = 0.0022222 k( 161) = ( 0.2100256 0.2100256 0.5000000), wk = 0.0022222 k( 162) = ( 0.2030247 0.2030247 0.5000000), wk = 0.0022222 k( 163) = ( 0.1960238 0.1960238 0.5000000), wk = 0.0022222 k( 164) = ( 0.1890230 0.1890230 0.5000000), wk = 0.0022222 k( 165) = ( 0.1820221 0.1820221 0.5000000), wk = 0.0022222 k( 166) = ( 0.1750213 0.1750213 0.5000000), wk = 0.0022222 k( 167) = ( 0.1680204 0.1680204 0.5000000), wk = 0.0022222 k( 168) = ( 0.1610196 0.1610196 0.5000000), wk = 0.0022222 k( 169) = ( 0.1540187 0.1540187 0.5000000), wk = 0.0022222 k( 170) = ( 0.1470179 0.1470179 0.5000000), wk = 0.0022222 k( 171) = ( 0.1400170 0.1400170 0.5000000), wk = 0.0022222 k( 172) = ( 0.1330162 0.1330162 0.5000000), wk = 0.0022222 k( 173) = ( 0.1260153 0.1260153 0.5000000), wk = 0.0022222 k( 174) = ( 0.1190145 0.1190145 0.5000000), wk = 0.0022222 k( 175) = ( 0.1120136 0.1120136 0.5000000), wk = 0.0022222 k( 176) = ( 0.1050128 0.1050128 0.5000000), wk = 0.0022222 k( 177) = ( 0.0980119 0.0980119 0.5000000), wk = 0.0022222 k( 178) = ( 0.0910111 0.0910111 0.5000000), wk = 0.0022222 k( 179) = ( 0.0840102 0.0840102 0.5000000), wk = 0.0022222 k( 180) = ( 0.0770094 0.0770094 0.5000000), wk = 0.0022222 k( 181) = ( 0.0700085 0.0700085 0.5000000), wk = 0.0022222 k( 182) = ( 0.0630077 0.0630077 0.5000000), wk = 0.0022222 k( 183) = ( 0.0560068 0.0560068 0.5000000), wk = 0.0022222 k( 184) = ( 0.0490060 0.0490060 0.5000000), wk = 0.0022222 k( 185) = ( 0.0420051 0.0420051 0.5000000), wk = 0.0022222 k( 186) = ( 0.0350043 0.0350043 0.5000000), wk = 0.0022222 k( 187) = ( 0.0280034 0.0280034 0.5000000), wk = 0.0022222 k( 188) = ( 0.0210026 0.0210026 0.5000000), wk = 0.0022222 k( 189) = ( 0.0140017 0.0140017 0.5000000), wk = 0.0022222 k( 190) = ( 0.0070009 0.0070009 0.5000000), wk = 0.0022222 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022222 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022222 k( 193) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0022222 k( 194) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0022222 k( 195) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0022222 k( 196) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0022222 k( 197) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0022222 k( 198) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0022222 k( 199) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0022222 k( 200) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0022222 k( 201) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0022222 k( 202) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022222 k( 203) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0022222 k( 204) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0022222 k( 205) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0022222 k( 206) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0022222 k( 207) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0022222 k( 208) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0022222 k( 209) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0022222 k( 210) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0022222 k( 211) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0022222 k( 212) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022222 k( 213) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0022222 k( 214) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0022222 k( 215) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0022222 k( 216) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0022222 k( 217) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0022222 k( 218) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0022222 k( 219) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0022222 k( 220) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0022222 k( 221) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0022222 k( 222) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022222 k( 223) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0022222 k( 224) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0022222 k( 225) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0022222 k( 226) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0022222 k( 227) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0022222 k( 228) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0022222 k( 229) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0022222 k( 230) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0022222 k( 231) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0022222 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 233) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 234) = ( -0.0119048 0.0119048 0.0000000), wk = 0.0022222 k( 235) = ( -0.0238095 0.0238095 0.0000000), wk = 0.0022222 k( 236) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0022222 k( 237) = ( -0.0476191 0.0476191 0.0000000), wk = 0.0022222 k( 238) = ( -0.0595238 0.0595238 0.0000000), wk = 0.0022222 k( 239) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0022222 k( 240) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0022222 k( 241) = ( -0.0952381 0.0952381 0.0000000), wk = 0.0022222 k( 242) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0022222 k( 243) = ( -0.1190476 0.1190476 0.0000000), wk = 0.0022222 k( 244) = ( -0.1309524 0.1309524 0.0000000), wk = 0.0022222 k( 245) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0022222 k( 246) = ( -0.1547619 0.1547619 0.0000000), wk = 0.0022222 k( 247) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0022222 k( 248) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0022222 k( 249) = ( -0.1904762 0.1904762 0.0000000), wk = 0.0022222 k( 250) = ( -0.2023810 0.2023810 0.0000000), wk = 0.0022222 k( 251) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0022222 k( 252) = ( -0.2261905 0.2261905 0.0000000), wk = 0.0022222 k( 253) = ( -0.2380952 0.2380952 0.0000000), wk = 0.0022222 k( 254) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0022222 k( 255) = ( -0.2619048 0.2619048 0.0000000), wk = 0.0022222 k( 256) = ( -0.2738095 0.2738095 0.0000000), wk = 0.0022222 k( 257) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0022222 k( 258) = ( -0.2976190 0.2976191 0.0000000), wk = 0.0022222 k( 259) = ( -0.3095238 0.3095238 0.0000000), wk = 0.0022222 k( 260) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0022222 k( 261) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0022222 k( 262) = ( -0.3452381 0.3452381 0.0000000), wk = 0.0022222 k( 263) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0022222 k( 264) = ( -0.3690476 0.3690476 0.0000000), wk = 0.0022222 k( 265) = ( -0.3809524 0.3809524 0.0000000), wk = 0.0022222 k( 266) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0022222 k( 267) = ( -0.4047619 0.4047619 0.0000000), wk = 0.0022222 k( 268) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0022222 k( 269) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0022222 k( 270) = ( -0.4404762 0.4404762 0.0000000), wk = 0.0022222 k( 271) = ( -0.4523810 0.4523810 0.0000000), wk = 0.0022222 k( 272) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0022222 k( 273) = ( -0.4761905 0.4761905 0.0000000), wk = 0.0022222 k( 274) = ( -0.4880952 0.4880952 0.0000000), wk = 0.0022222 k( 275) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022222 k( 276) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022222 k( 277) = ( -0.4931684 0.5068316 0.0000000), wk = 0.0022222 k( 278) = ( -0.4863367 0.5136633 0.0000000), wk = 0.0022222 k( 279) = ( -0.4795051 0.5204949 0.0000000), wk = 0.0022222 k( 280) = ( -0.4726735 0.5273265 0.0000000), wk = 0.0022222 k( 281) = ( -0.4658419 0.5341581 0.0000000), wk = 0.0022222 k( 282) = ( -0.4590102 0.5409898 0.0000000), wk = 0.0022222 k( 283) = ( -0.4521786 0.5478214 0.0000000), wk = 0.0022222 k( 284) = ( -0.4453470 0.5546530 0.0000000), wk = 0.0022222 k( 285) = ( -0.4385153 0.5614847 0.0000000), wk = 0.0022222 k( 286) = ( -0.4316837 0.5683163 0.0000000), wk = 0.0022222 k( 287) = ( -0.4248521 0.5751479 0.0000000), wk = 0.0022222 k( 288) = ( -0.4180204 0.5819796 0.0000000), wk = 0.0022222 k( 289) = ( -0.4111888 0.5888112 0.0000000), wk = 0.0022222 k( 290) = ( -0.4043572 0.5956428 0.0000000), wk = 0.0022222 k( 291) = ( -0.3975256 0.6024744 0.0000000), wk = 0.0022222 k( 292) = ( -0.3906939 0.6093061 0.0000000), wk = 0.0022222 k( 293) = ( -0.3838623 0.6161377 0.0000000), wk = 0.0022222 k( 294) = ( -0.3770307 0.6229693 0.0000000), wk = 0.0022222 k( 295) = ( -0.3701990 0.6298010 -0.0000000), wk = 0.0022222 k( 296) = ( -0.3633674 0.6366326 0.0000000), wk = 0.0022222 k( 297) = ( -0.3565358 0.6434642 0.0000000), wk = 0.0022222 k( 298) = ( -0.3497041 0.6502959 0.0000000), wk = 0.0022222 k( 299) = ( -0.3428725 0.6571275 0.0000000), wk = 0.0022222 k( 300) = ( -0.3360409 0.6639591 0.0000000), wk = 0.0022222 k( 301) = ( -0.3360409 0.6639591 0.0000000), wk = 0.0022222 k( 302) = ( -0.3360409 0.6639591 0.0125000), wk = 0.0022222 k( 303) = ( -0.3360409 0.6639591 0.0250000), wk = 0.0022222 k( 304) = ( -0.3360409 0.6639591 0.0375000), wk = 0.0022222 k( 305) = ( -0.3360409 0.6639591 0.0500000), wk = 0.0022222 k( 306) = ( -0.3360409 0.6639591 0.0625000), wk = 0.0022222 k( 307) = ( -0.3360409 0.6639591 0.0750000), wk = 0.0022222 k( 308) = ( -0.3360409 0.6639591 0.0875000), wk = 0.0022222 k( 309) = ( -0.3360409 0.6639591 0.1000000), wk = 0.0022222 k( 310) = ( -0.3360409 0.6639591 0.1125000), wk = 0.0022222 k( 311) = ( -0.3360409 0.6639591 0.1250000), wk = 0.0022222 k( 312) = ( -0.3360409 0.6639591 0.1375000), wk = 0.0022222 k( 313) = ( -0.3360409 0.6639591 0.1500000), wk = 0.0022222 k( 314) = ( -0.3360409 0.6639591 0.1625000), wk = 0.0022222 k( 315) = ( -0.3360409 0.6639591 0.1750000), wk = 0.0022222 k( 316) = ( -0.3360409 0.6639591 0.1875000), wk = 0.0022222 k( 317) = ( -0.3360409 0.6639591 0.2000000), wk = 0.0022222 k( 318) = ( -0.3360409 0.6639591 0.2125000), wk = 0.0022222 k( 319) = ( -0.3360409 0.6639591 0.2250000), wk = 0.0022222 k( 320) = ( -0.3360409 0.6639591 0.2375000), wk = 0.0022222 k( 321) = ( -0.3360409 0.6639591 0.2500000), wk = 0.0022222 k( 322) = ( -0.3360409 0.6639591 0.2625000), wk = 0.0022222 k( 323) = ( -0.3360409 0.6639591 0.2750000), wk = 0.0022222 k( 324) = ( -0.3360409 0.6639591 0.2875000), wk = 0.0022222 k( 325) = ( -0.3360409 0.6639591 0.3000000), wk = 0.0022222 k( 326) = ( -0.3360409 0.6639591 0.3125000), wk = 0.0022222 k( 327) = ( -0.3360409 0.6639591 0.3250000), wk = 0.0022222 k( 328) = ( -0.3360409 0.6639591 0.3375000), wk = 0.0022222 k( 329) = ( -0.3360409 0.6639591 0.3500000), wk = 0.0022222 k( 330) = ( -0.3360409 0.6639591 0.3625000), wk = 0.0022222 k( 331) = ( -0.3360409 0.6639591 0.3750000), wk = 0.0022222 k( 332) = ( -0.3360409 0.6639591 0.3875000), wk = 0.0022222 k( 333) = ( -0.3360409 0.6639591 0.4000000), wk = 0.0022222 k( 334) = ( -0.3360409 0.6639591 0.4125000), wk = 0.0022222 k( 335) = ( -0.3360409 0.6639591 0.4250000), wk = 0.0022222 k( 336) = ( -0.3360409 0.6639591 0.4375000), wk = 0.0022222 k( 337) = ( -0.3360409 0.6639591 0.4500000), wk = 0.0022222 k( 338) = ( -0.3360409 0.6639591 0.4625000), wk = 0.0022222 k( 339) = ( -0.3360409 0.6639591 0.4750000), wk = 0.0022222 k( 340) = ( -0.3360409 0.6639591 0.4875000), wk = 0.0022222 k( 341) = ( -0.3360409 0.6639591 0.5000000), wk = 0.0022222 k( 342) = ( -0.3360409 0.6639591 0.5000000), wk = 0.0022222 k( 343) = ( -0.3428725 0.6571275 0.5000000), wk = 0.0022222 k( 344) = ( -0.3497041 0.6502959 0.5000000), wk = 0.0022222 k( 345) = ( -0.3565358 0.6434642 0.5000000), wk = 0.0022222 k( 346) = ( -0.3633674 0.6366326 0.5000000), wk = 0.0022222 k( 347) = ( -0.3701990 0.6298010 0.5000000), wk = 0.0022222 k( 348) = ( -0.3770307 0.6229693 0.5000000), wk = 0.0022222 k( 349) = ( -0.3838623 0.6161377 0.5000000), wk = 0.0022222 k( 350) = ( -0.3906939 0.6093061 0.5000000), wk = 0.0022222 k( 351) = ( -0.3975256 0.6024744 0.5000000), wk = 0.0022222 k( 352) = ( -0.4043572 0.5956428 0.5000000), wk = 0.0022222 k( 353) = ( -0.4111888 0.5888112 0.5000000), wk = 0.0022222 k( 354) = ( -0.4180204 0.5819796 0.5000000), wk = 0.0022222 k( 355) = ( -0.4248521 0.5751479 0.5000000), wk = 0.0022222 k( 356) = ( -0.4316837 0.5683163 0.5000000), wk = 0.0022222 k( 357) = ( -0.4385153 0.5614847 0.5000000), wk = 0.0022222 k( 358) = ( -0.4453470 0.5546530 0.5000000), wk = 0.0022222 k( 359) = ( -0.4521786 0.5478214 0.5000000), wk = 0.0022222 k( 360) = ( -0.4590102 0.5409898 0.5000000), wk = 0.0022222 k( 361) = ( -0.4658419 0.5341581 0.5000000), wk = 0.0022222 k( 362) = ( -0.4726735 0.5273265 0.5000000), wk = 0.0022222 k( 363) = ( -0.4795051 0.5204949 0.5000000), wk = 0.0022222 k( 364) = ( -0.4863367 0.5136633 0.5000000), wk = 0.0022222 k( 365) = ( -0.4931684 0.5068316 0.5000000), wk = 0.0022222 k( 366) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022222 k( 367) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022222 k( 368) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0022222 k( 369) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0022222 k( 370) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0022222 k( 371) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0022222 k( 372) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0022222 k( 373) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0022222 k( 374) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0022222 k( 375) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0022222 k( 376) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0022222 k( 377) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0022222 k( 378) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0022222 k( 379) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0022222 k( 380) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0022222 k( 381) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0022222 k( 382) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0022222 k( 383) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0022222 k( 384) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0022222 k( 385) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0022222 k( 386) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0022222 k( 387) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0022222 k( 388) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0022222 k( 389) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0022222 k( 390) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0022222 k( 391) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0022222 k( 392) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0022222 k( 393) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0022222 k( 394) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0022222 k( 395) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0022222 k( 396) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0022222 k( 397) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0022222 k( 398) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0022222 k( 399) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0022222 k( 400) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0022222 k( 401) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0022222 k( 402) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0022222 k( 403) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0022222 k( 404) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0022222 k( 405) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0022222 k( 406) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0022222 k( 407) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022222 k( 408) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022222 k( 409) = ( -0.0119048 0.0119048 0.5000000), wk = 0.0022222 k( 410) = ( -0.0238095 0.0238095 0.5000000), wk = 0.0022222 k( 411) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0022222 k( 412) = ( -0.0476191 0.0476191 0.5000000), wk = 0.0022222 k( 413) = ( -0.0595238 0.0595238 0.5000000), wk = 0.0022222 k( 414) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0022222 k( 415) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0022222 k( 416) = ( -0.0952381 0.0952381 0.5000000), wk = 0.0022222 k( 417) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0022222 k( 418) = ( -0.1190476 0.1190476 0.5000000), wk = 0.0022222 k( 419) = ( -0.1309524 0.1309524 0.5000000), wk = 0.0022222 k( 420) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0022222 k( 421) = ( -0.1547619 0.1547619 0.5000000), wk = 0.0022222 k( 422) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0022222 k( 423) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0022222 k( 424) = ( -0.1904762 0.1904762 0.5000000), wk = 0.0022222 k( 425) = ( -0.2023810 0.2023810 0.5000000), wk = 0.0022222 k( 426) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0022222 k( 427) = ( -0.2261905 0.2261905 0.5000000), wk = 0.0022222 k( 428) = ( -0.2380952 0.2380952 0.5000000), wk = 0.0022222 k( 429) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0022222 k( 430) = ( -0.2619048 0.2619048 0.5000000), wk = 0.0022222 k( 431) = ( -0.2738095 0.2738095 0.5000000), wk = 0.0022222 k( 432) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0022222 k( 433) = ( -0.2976190 0.2976191 0.5000000), wk = 0.0022222 k( 434) = ( -0.3095238 0.3095238 0.5000000), wk = 0.0022222 k( 435) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0022222 k( 436) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0022222 k( 437) = ( -0.3452381 0.3452381 0.5000000), wk = 0.0022222 k( 438) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0022222 k( 439) = ( -0.3690476 0.3690476 0.5000000), wk = 0.0022222 k( 440) = ( -0.3809524 0.3809524 0.5000000), wk = 0.0022222 k( 441) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0022222 k( 442) = ( -0.4047619 0.4047619 0.5000000), wk = 0.0022222 k( 443) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0022222 k( 444) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0022222 k( 445) = ( -0.4404762 0.4404762 0.5000000), wk = 0.0022222 k( 446) = ( -0.4523810 0.4523810 0.5000000), wk = 0.0022222 k( 447) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0022222 k( 448) = ( -0.4761905 0.4761905 0.5000000), wk = 0.0022222 k( 449) = ( -0.4880952 0.4880952 0.5000000), wk = 0.0022222 k( 450) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022222 Dense grid: 45403 G-vectors FFT dimensions: ( 48, 48, 45) Smooth grid: 19169 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 144, 58) NL pseudopotentials 0.16 Mb ( 72, 144) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1261) G-vector shells 0.00 Mb ( 652) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 144, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.25 Mb ( 144, 2, 58) Check: negative/imaginary core charge= -0.000012 0.000000 The potential is recalculated from file : ./HC2N3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.8 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.8 secs Computing kpt #: 18 total cpu time spent up to now is 10.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.9 secs Computing kpt #: 20 total cpu time spent up to now is 11.5 secs Computing kpt #: 21 total cpu time spent up to now is 12.1 secs Computing kpt #: 22 total cpu time spent up to now is 12.8 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.0 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.6 secs Computing kpt #: 28 total cpu time spent up to now is 16.2 secs Computing kpt #: 29 total cpu time spent up to now is 16.7 secs Computing kpt #: 30 total cpu time spent up to now is 17.2 secs Computing kpt #: 31 total cpu time spent up to now is 17.9 secs Computing kpt #: 32 total cpu time spent up to now is 18.5 secs Computing kpt #: 33 total cpu time spent up to now is 19.1 secs Computing kpt #: 34 total cpu time spent up to now is 19.7 secs Computing kpt #: 35 total cpu time spent up to now is 20.3 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.5 secs Computing kpt #: 38 total cpu time spent up to now is 22.2 secs Computing kpt #: 39 total cpu time spent up to now is 22.7 secs Computing kpt #: 40 total cpu time spent up to now is 23.2 secs Computing kpt #: 41 total cpu time spent up to now is 23.8 secs Computing kpt #: 42 total cpu time spent up to now is 24.3 secs Computing kpt #: 43 total cpu time spent up to now is 24.9 secs Computing kpt #: 44 total cpu time spent up to now is 25.4 secs Computing kpt #: 45 total cpu time spent up to now is 25.9 secs Computing kpt #: 46 total cpu time spent up to now is 26.5 secs Computing kpt #: 47 total cpu time spent up to now is 27.0 secs Computing kpt #: 48 total cpu time spent up to now is 27.5 secs Computing kpt #: 49 total cpu time spent up to now is 28.0 secs Computing kpt #: 50 total cpu time spent up to now is 28.6 secs Computing kpt #: 51 total cpu time spent up to now is 29.1 secs Computing kpt #: 52 total cpu time spent up to now is 29.7 secs Computing kpt #: 53 total cpu time spent up to now is 30.2 secs Computing kpt #: 54 total cpu time spent up to now is 30.8 secs Computing kpt #: 55 total cpu time spent up to now is 31.3 secs Computing kpt #: 56 total cpu time spent up to now is 31.8 secs Computing kpt #: 57 total cpu time spent up to now is 32.3 secs Computing kpt #: 58 total cpu time spent up to now is 32.9 secs Computing kpt #: 59 total cpu time spent up to now is 33.4 secs Computing kpt #: 60 total cpu time spent up to now is 33.9 secs Computing kpt #: 61 total cpu time spent up to now is 34.4 secs Computing kpt #: 62 total cpu time spent up to now is 34.9 secs Computing kpt #: 63 total cpu time spent up to now is 35.4 secs Computing kpt #: 64 total cpu time spent up to now is 35.9 secs Computing kpt #: 65 total cpu time spent up to now is 36.5 secs Computing kpt #: 66 total cpu time spent up to now is 37.0 secs Computing kpt #: 67 total cpu time spent up to now is 37.5 secs Computing kpt #: 68 total cpu time spent up to now is 38.0 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 39.0 secs Computing kpt #: 71 total cpu time spent up to now is 39.5 secs Computing kpt #: 72 total cpu time spent up to now is 40.0 secs Computing kpt #: 73 total cpu time spent up to now is 40.6 secs Computing kpt #: 74 total cpu time spent up to now is 41.1 secs Computing kpt #: 75 total cpu time spent up to now is 41.6 secs Computing kpt #: 76 total cpu time spent up to now is 42.1 secs Computing kpt #: 77 total cpu time spent up to now is 42.7 secs Computing kpt #: 78 total cpu time spent up to now is 43.2 secs Computing kpt #: 79 total cpu time spent up to now is 43.7 secs Computing kpt #: 80 total cpu time spent up to now is 44.2 secs Computing kpt #: 81 total cpu time spent up to now is 44.8 secs Computing kpt #: 82 total cpu time spent up to now is 45.3 secs Computing kpt #: 83 total cpu time spent up to now is 45.8 secs Computing kpt #: 84 total cpu time spent up to now is 46.3 secs Computing kpt #: 85 total cpu time spent up to now is 46.8 secs Computing kpt #: 86 total cpu time spent up to now is 47.3 secs Computing kpt #: 87 total cpu time spent up to now is 47.9 secs Computing kpt #: 88 total cpu time spent up to now is 48.4 secs Computing kpt #: 89 total cpu time spent up to now is 48.9 secs Computing kpt #: 90 total cpu time spent up to now is 49.4 secs Computing kpt #: 91 total cpu time spent up to now is 49.9 secs Computing kpt #: 92 total cpu time spent up to now is 50.4 secs Computing kpt #: 93 total cpu time spent up to now is 50.9 secs Computing kpt #: 94 total cpu time spent up to now is 51.4 secs Computing kpt #: 95 total cpu time spent up to now is 51.9 secs Computing kpt #: 96 total cpu time spent up to now is 52.4 secs Computing kpt #: 97 total cpu time spent up to now is 52.9 secs Computing kpt #: 98 total cpu time spent up to now is 53.4 secs Computing kpt #: 99 total cpu time spent up to now is 54.0 secs Computing kpt #: 100 total cpu time spent up to now is 54.5 secs Computing kpt #: 101 total cpu time spent up to now is 55.0 secs Computing kpt #: 102 total cpu time spent up to now is 55.5 secs Computing kpt #: 103 total cpu time spent up to now is 56.0 secs Computing kpt #: 104 total cpu time spent up to now is 56.6 secs Computing kpt #: 105 total cpu time spent up to now is 57.1 secs Computing kpt #: 106 total cpu time spent up to now is 57.6 secs Computing kpt #: 107 total cpu time spent up to now is 58.2 secs Computing kpt #: 108 total cpu time spent up to now is 58.7 secs Computing kpt #: 109 total cpu time spent up to now is 59.2 secs Computing kpt #: 110 total cpu time spent up to now is 59.8 secs Computing kpt #: 111 total cpu time spent up to now is 60.4 secs Computing kpt #: 112 total cpu time spent up to now is 60.9 secs Computing kpt #: 113 total cpu time spent up to now is 61.5 secs Computing kpt #: 114 total cpu time spent up to now is 62.0 secs Computing kpt #: 115 total cpu time spent up to now is 62.6 secs Computing kpt #: 116 total cpu time spent up to now is 63.3 secs Computing kpt #: 117 total cpu time spent up to now is 63.9 secs Computing kpt #: 118 total cpu time spent up to now is 64.5 secs Computing kpt #: 119 total cpu time spent up to now is 65.1 secs Computing kpt #: 120 total cpu time spent up to now is 65.7 secs Computing kpt #: 121 total cpu time spent up to now is 66.4 secs Computing kpt #: 122 total cpu time spent up to now is 67.0 secs Computing kpt #: 123 total cpu time spent up to now is 67.7 secs Computing kpt #: 124 total cpu time spent up to now is 68.3 secs Computing kpt #: 125 total cpu time spent up to now is 68.9 secs Computing kpt #: 126 total cpu time spent up to now is 69.5 secs Computing kpt #: 127 total cpu time spent up to now is 70.1 secs Computing kpt #: 128 total cpu time spent up to now is 70.8 secs Computing kpt #: 129 total cpu time spent up to now is 71.5 secs Computing kpt #: 130 total cpu time spent up to now is 72.1 secs Computing kpt #: 131 total cpu time spent up to now is 72.7 secs Computing kpt #: 132 total cpu time spent up to now is 73.3 secs Computing kpt #: 133 total cpu time spent up to now is 73.9 secs Computing kpt #: 134 total cpu time spent up to now is 74.5 secs Computing kpt #: 135 total cpu time spent up to now is 75.1 secs Computing kpt #: 136 total cpu time spent up to now is 75.8 secs Computing kpt #: 137 total cpu time spent up to now is 76.4 secs Computing kpt #: 138 total cpu time spent up to now is 77.1 secs Computing kpt #: 139 total cpu time spent up to now is 77.7 secs Computing kpt #: 140 total cpu time spent up to now is 78.3 secs Computing kpt #: 141 total cpu time spent up to now is 78.9 secs Computing kpt #: 142 total cpu time spent up to now is 79.4 secs Computing kpt #: 143 total cpu time spent up to now is 79.9 secs Computing kpt #: 144 total cpu time spent up to now is 80.3 secs Computing kpt #: 145 total cpu time spent up to now is 80.8 secs Computing kpt #: 146 total cpu time spent up to now is 81.3 secs Computing kpt #: 147 total cpu time spent up to now is 81.8 secs Computing kpt #: 148 total cpu time spent up to now is 82.3 secs Computing kpt #: 149 total cpu time spent up to now is 82.9 secs Computing kpt #: 150 total cpu time spent up to now is 83.5 secs Computing kpt #: 151 total cpu time spent up to now is 84.1 secs Computing kpt #: 152 total cpu time spent up to now is 84.6 secs Computing kpt #: 153 total cpu time spent up to now is 85.1 secs Computing kpt #: 154 total cpu time spent up to now is 85.6 secs Computing kpt #: 155 total cpu time spent up to now is 86.1 secs Computing kpt #: 156 total cpu time spent up to now is 86.6 secs Computing kpt #: 157 total cpu time spent up to now is 87.1 secs Computing kpt #: 158 total cpu time spent up to now is 87.6 secs Computing kpt #: 159 total cpu time spent up to now is 88.2 secs Computing kpt #: 160 total cpu time spent up to now is 88.6 secs Computing kpt #: 161 total cpu time spent up to now is 89.1 secs Computing kpt #: 162 total cpu time spent up to now is 89.6 secs Computing kpt #: 163 total cpu time spent up to now is 90.1 secs Computing kpt #: 164 total cpu time spent up to now is 90.7 secs Computing kpt #: 165 total cpu time spent up to now is 91.2 secs Computing kpt #: 166 total cpu time spent up to now is 91.8 secs Computing kpt #: 167 total cpu time spent up to now is 92.5 secs Computing kpt #: 168 total cpu time spent up to now is 93.1 secs Computing kpt #: 169 total cpu time spent up to now is 93.7 secs Computing kpt #: 170 total cpu time spent up to now is 94.3 secs Computing kpt #: 171 total cpu time spent up to now is 94.9 secs Computing kpt #: 172 total cpu time spent up to now is 95.5 secs Computing kpt #: 173 total cpu time spent up to now is 96.0 secs Computing kpt #: 174 total cpu time spent up to now is 96.7 secs Computing kpt #: 175 total cpu time spent up to now is 97.3 secs Computing kpt #: 176 total cpu time spent up to now is 97.9 secs Computing kpt #: 177 total cpu time spent up to now is 98.5 secs Computing kpt #: 178 total cpu time spent up to now is 99.0 secs Computing kpt #: 179 total cpu time spent up to now is 99.6 secs Computing kpt #: 180 total cpu time spent up to now is 100.2 secs Computing kpt #: 181 total cpu time spent up to now is 100.8 secs Computing kpt #: 182 total cpu time spent up to now is 101.5 secs Computing kpt #: 183 total cpu time spent up to now is 102.1 secs Computing kpt #: 184 total cpu time spent up to now is 102.7 secs Computing kpt #: 185 total cpu time spent up to now is 103.3 secs Computing kpt #: 186 total cpu time spent up to now is 103.9 secs Computing kpt #: 187 total cpu time spent up to now is 104.5 secs Computing kpt #: 188 total cpu time spent up to now is 105.1 secs Computing kpt #: 189 total cpu time spent up to now is 105.7 secs Computing kpt #: 190 total cpu time spent up to now is 106.3 secs Computing kpt #: 191 total cpu time spent up to now is 106.9 secs Computing kpt #: 192 total cpu time spent up to now is 107.5 secs Computing kpt #: 193 total cpu time spent up to now is 108.1 secs Computing kpt #: 194 total cpu time spent up to now is 108.7 secs Computing kpt #: 195 total cpu time spent up to now is 109.3 secs Computing kpt #: 196 total cpu time spent up to now is 109.9 secs Computing kpt #: 197 total cpu time spent up to now is 110.5 secs Computing kpt #: 198 total cpu time spent up to now is 111.0 secs Computing kpt #: 199 total cpu time spent up to now is 111.6 secs Computing kpt #: 200 total cpu time spent up to now is 112.2 secs Computing kpt #: 201 total cpu time spent up to now is 112.7 secs Computing kpt #: 202 total cpu time spent up to now is 113.2 secs Computing kpt #: 203 total cpu time spent up to now is 113.8 secs Computing kpt #: 204 total cpu time spent up to now is 114.4 secs Computing kpt #: 205 total cpu time spent up to now is 114.8 secs Computing kpt #: 206 total cpu time spent up to now is 115.4 secs Computing kpt #: 207 total cpu time spent up to now is 115.9 secs Computing kpt #: 208 total cpu time spent up to now is 116.4 secs Computing kpt #: 209 total cpu time spent up to now is 117.0 secs Computing kpt #: 210 total cpu time spent up to now is 117.5 secs Computing kpt #: 211 total cpu time spent up to now is 118.0 secs Computing kpt #: 212 total cpu time spent up to now is 118.5 secs Computing kpt #: 213 total cpu time spent up to now is 119.0 secs Computing kpt #: 214 total cpu time spent up to now is 119.5 secs Computing kpt #: 215 total cpu time spent up to now is 120.0 secs Computing kpt #: 216 total cpu time spent up to now is 120.5 secs Computing kpt #: 217 total cpu time spent up to now is 121.0 secs Computing kpt #: 218 total cpu time spent up to now is 121.5 secs Computing kpt #: 219 total cpu time spent up to now is 122.0 secs Computing kpt #: 220 total cpu time spent up to now is 122.5 secs Computing kpt #: 221 total cpu time spent up to now is 123.0 secs Computing kpt #: 222 total cpu time spent up to now is 123.5 secs Computing kpt #: 223 total cpu time spent up to now is 124.0 secs Computing kpt #: 224 total cpu time spent up to now is 124.5 secs Computing kpt #: 225 total cpu time spent up to now is 124.9 secs Computing kpt #: 226 total cpu time spent up to now is 125.4 secs Computing kpt #: 227 total cpu time spent up to now is 125.9 secs Computing kpt #: 228 total cpu time spent up to now is 126.3 secs Computing kpt #: 229 total cpu time spent up to now is 126.8 secs Computing kpt #: 230 total cpu time spent up to now is 127.3 secs Computing kpt #: 231 total cpu time spent up to now is 127.7 secs Computing kpt #: 232 total cpu time spent up to now is 128.2 secs Computing kpt #: 233 total cpu time spent up to now is 128.7 secs Computing kpt #: 234 total cpu time spent up to now is 129.1 secs Computing kpt #: 235 total cpu time spent up to now is 129.6 secs Computing kpt #: 236 total cpu time spent up to now is 130.1 secs Computing kpt #: 237 total cpu time spent up to now is 130.6 secs Computing kpt #: 238 total cpu time spent up to now is 131.0 secs Computing kpt #: 239 total cpu time spent up to now is 131.5 secs Computing kpt #: 240 total cpu time spent up to now is 132.0 secs Computing kpt #: 241 total cpu time spent up to now is 132.5 secs Computing kpt #: 242 total cpu time spent up to now is 132.9 secs Computing kpt #: 243 total cpu time spent up to now is 133.4 secs Computing kpt #: 244 total cpu time spent up to now is 133.9 secs Computing kpt #: 245 total cpu time spent up to now is 134.4 secs Computing kpt #: 246 total cpu time spent up to now is 134.8 secs Computing kpt #: 247 total cpu time spent up to now is 135.3 secs Computing kpt #: 248 total cpu time spent up to now is 135.8 secs Computing kpt #: 249 total cpu time spent up to now is 136.2 secs Computing kpt #: 250 total cpu time spent up to now is 136.7 secs Computing kpt #: 251 total cpu time spent up to now is 137.2 secs Computing kpt #: 252 total cpu time spent up to now is 137.7 secs Computing kpt #: 253 total cpu time spent up to now is 138.1 secs Computing kpt #: 254 total cpu time spent up to now is 138.6 secs Computing kpt #: 255 total cpu time spent up to now is 139.1 secs Computing kpt #: 256 total cpu time spent up to now is 139.6 secs Computing kpt #: 257 total cpu time spent up to now is 140.0 secs Computing kpt #: 258 total cpu time spent up to now is 140.5 secs Computing kpt #: 259 total cpu time spent up to now is 141.0 secs Computing kpt #: 260 total cpu time spent up to now is 141.4 secs Computing kpt #: 261 total cpu time spent up to now is 141.9 secs Computing kpt #: 262 total cpu time spent up to now is 142.4 secs Computing kpt #: 263 total cpu time spent up to now is 142.8 secs Computing kpt #: 264 total cpu time spent up to now is 143.3 secs Computing kpt #: 265 total cpu time spent up to now is 143.7 secs Computing kpt #: 266 total cpu time spent up to now is 144.2 secs Computing kpt #: 267 total cpu time spent up to now is 144.7 secs Computing kpt #: 268 total cpu time spent up to now is 145.2 secs Computing kpt #: 269 total cpu time spent up to now is 145.6 secs Computing kpt #: 270 total cpu time spent up to now is 146.1 secs Computing kpt #: 271 total cpu time spent up to now is 146.6 secs Computing kpt #: 272 total cpu time spent up to now is 147.0 secs Computing kpt #: 273 total cpu time spent up to now is 147.5 secs Computing kpt #: 274 total cpu time spent up to now is 148.0 secs Computing kpt #: 275 total cpu time spent up to now is 148.4 secs Computing kpt #: 276 total cpu time spent up to now is 148.9 secs Computing kpt #: 277 total cpu time spent up to now is 149.4 secs Computing kpt #: 278 total cpu time spent up to now is 149.9 secs Computing kpt #: 279 total cpu time spent up to now is 150.3 secs Computing kpt #: 280 total cpu time spent up to now is 150.8 secs Computing kpt #: 281 total cpu time spent up to now is 151.3 secs Computing kpt #: 282 total cpu time spent up to now is 151.7 secs Computing kpt #: 283 total cpu time spent up to now is 152.2 secs Computing kpt #: 284 total cpu time spent up to now is 152.7 secs Computing kpt #: 285 total cpu time spent up to now is 153.2 secs Computing kpt #: 286 total cpu time spent up to now is 153.7 secs Computing kpt #: 287 total cpu time spent up to now is 154.2 secs Computing kpt #: 288 total cpu time spent up to now is 154.7 secs Computing kpt #: 289 total cpu time spent up to now is 155.2 secs Computing kpt #: 290 total cpu time spent up to now is 155.8 secs Computing kpt #: 291 total cpu time spent up to now is 156.4 secs Computing kpt #: 292 total cpu time spent up to now is 157.0 secs Computing kpt #: 293 total cpu time spent up to now is 157.7 secs Computing kpt #: 294 total cpu time spent up to now is 158.3 secs Computing kpt #: 295 total cpu time spent up to now is 159.0 secs Computing kpt #: 296 total cpu time spent up to now is 159.6 secs Computing kpt #: 297 total cpu time spent up to now is 160.2 secs Computing kpt #: 298 total cpu time spent up to now is 160.8 secs Computing kpt #: 299 total cpu time spent up to now is 161.3 secs Computing kpt #: 300 total cpu time spent up to now is 161.9 secs Computing kpt #: 301 total cpu time spent up to now is 162.4 secs Computing kpt #: 302 total cpu time spent up to now is 163.0 secs Computing kpt #: 303 total cpu time spent up to now is 163.5 secs Computing kpt #: 304 total cpu time spent up to now is 164.1 secs Computing kpt #: 305 total cpu time spent up to now is 164.7 secs Computing kpt #: 306 total cpu time spent up to now is 165.2 secs Computing kpt #: 307 total cpu time spent up to now is 165.8 secs Computing kpt #: 308 total cpu time spent up to now is 166.4 secs Computing kpt #: 309 total cpu time spent up to now is 167.0 secs Computing kpt #: 310 total cpu time spent up to now is 167.6 secs Computing kpt #: 311 total cpu time spent up to now is 168.2 secs Computing kpt #: 312 total cpu time spent up to now is 168.7 secs Computing kpt #: 313 total cpu time spent up to now is 169.2 secs Computing kpt #: 314 total cpu time spent up to now is 169.8 secs Computing kpt #: 315 total cpu time spent up to now is 170.4 secs Computing kpt #: 316 total cpu time spent up to now is 171.1 secs Computing kpt #: 317 total cpu time spent up to now is 171.8 secs Computing kpt #: 318 total cpu time spent up to now is 172.5 secs Computing kpt #: 319 total cpu time spent up to now is 173.1 secs Computing kpt #: 320 total cpu time spent up to now is 173.7 secs Computing kpt #: 321 total cpu time spent up to now is 174.3 secs Computing kpt #: 322 total cpu time spent up to now is 174.9 secs Computing kpt #: 323 total cpu time spent up to now is 175.5 secs Computing kpt #: 324 total cpu time spent up to now is 176.1 secs Computing kpt #: 325 total cpu time spent up to now is 176.7 secs Computing kpt #: 326 total cpu time spent up to now is 177.3 secs Computing kpt #: 327 total cpu time spent up to now is 177.9 secs Computing kpt #: 328 total cpu time spent up to now is 178.5 secs Computing kpt #: 329 total cpu time spent up to now is 179.1 secs Computing kpt #: 330 total cpu time spent up to now is 179.7 secs Computing kpt #: 331 total cpu time spent up to now is 180.3 secs Computing kpt #: 332 total cpu time spent up to now is 180.9 secs Computing kpt #: 333 total cpu time spent up to now is 181.5 secs Computing kpt #: 334 total cpu time spent up to now is 182.0 secs Computing kpt #: 335 total cpu time spent up to now is 182.6 secs Computing kpt #: 336 total cpu time spent up to now is 183.3 secs Computing kpt #: 337 total cpu time spent up to now is 183.9 secs Computing kpt #: 338 total cpu time spent up to now is 184.5 secs Computing kpt #: 339 total cpu time spent up to now is 185.1 secs Computing kpt #: 340 total cpu time spent up to now is 185.7 secs Computing kpt #: 341 total cpu time spent up to now is 186.3 secs Computing kpt #: 342 total cpu time spent up to now is 186.8 secs Computing kpt #: 343 total cpu time spent up to now is 187.4 secs Computing kpt #: 344 total cpu time spent up to now is 187.9 secs Computing kpt #: 345 total cpu time spent up to now is 188.5 secs Computing kpt #: 346 total cpu time spent up to now is 189.1 secs Computing kpt #: 347 total cpu time spent up to now is 189.8 secs Computing kpt #: 348 total cpu time spent up to now is 190.3 secs Computing kpt #: 349 total cpu time spent up to now is 191.0 secs Computing kpt #: 350 total cpu time spent up to now is 191.6 secs Computing kpt #: 351 total cpu time spent up to now is 192.2 secs Computing kpt #: 352 total cpu time spent up to now is 192.9 secs Computing kpt #: 353 total cpu time spent up to now is 193.5 secs Computing kpt #: 354 total cpu time spent up to now is 194.1 secs Computing kpt #: 355 total cpu time spent up to now is 194.7 secs Computing kpt #: 356 total cpu time spent up to now is 195.3 secs Computing kpt #: 357 total cpu time spent up to now is 196.0 secs Computing kpt #: 358 total cpu time spent up to now is 196.6 secs Computing kpt #: 359 total cpu time spent up to now is 197.2 secs Computing kpt #: 360 total cpu time spent up to now is 197.8 secs Computing kpt #: 361 total cpu time spent up to now is 198.4 secs Computing kpt #: 362 total cpu time spent up to now is 199.1 secs Computing kpt #: 363 total cpu time spent up to now is 199.7 secs Computing kpt #: 364 total cpu time spent up to now is 200.3 secs Computing kpt #: 365 total cpu time spent up to now is 200.9 secs Computing kpt #: 366 total cpu time spent up to now is 201.4 secs Computing kpt #: 367 total cpu time spent up to now is 202.0 secs Computing kpt #: 368 total cpu time spent up to now is 202.6 secs Computing kpt #: 369 total cpu time spent up to now is 203.1 secs Computing kpt #: 370 total cpu time spent up to now is 203.7 secs Computing kpt #: 371 total cpu time spent up to now is 204.3 secs Computing kpt #: 372 total cpu time spent up to now is 204.9 secs Computing kpt #: 373 total cpu time spent up to now is 205.5 secs Computing kpt #: 374 total cpu time spent up to now is 206.1 secs Computing kpt #: 375 total cpu time spent up to now is 206.7 secs Computing kpt #: 376 total cpu time spent up to now is 207.3 secs Computing kpt #: 377 total cpu time spent up to now is 207.9 secs Computing kpt #: 378 total cpu time spent up to now is 208.6 secs Computing kpt #: 379 total cpu time spent up to now is 209.2 secs Computing kpt #: 380 total cpu time spent up to now is 209.9 secs Computing kpt #: 381 total cpu time spent up to now is 210.5 secs Computing kpt #: 382 total cpu time spent up to now is 211.0 secs Computing kpt #: 383 total cpu time spent up to now is 211.7 secs Computing kpt #: 384 total cpu time spent up to now is 212.2 secs Computing kpt #: 385 total cpu time spent up to now is 212.6 secs Computing kpt #: 386 total cpu time spent up to now is 213.1 secs Computing kpt #: 387 total cpu time spent up to now is 213.6 secs Computing kpt #: 388 total cpu time spent up to now is 214.0 secs Computing kpt #: 389 total cpu time spent up to now is 214.5 secs Computing kpt #: 390 total cpu time spent up to now is 215.0 secs Computing kpt #: 391 total cpu time spent up to now is 215.4 secs Computing kpt #: 392 total cpu time spent up to now is 215.9 secs Computing kpt #: 393 total cpu time spent up to now is 216.4 secs Computing kpt #: 394 total cpu time spent up to now is 216.8 secs Computing kpt #: 395 total cpu time spent up to now is 217.3 secs Computing kpt #: 396 total cpu time spent up to now is 217.8 secs Computing kpt #: 397 total cpu time spent up to now is 218.3 secs Computing kpt #: 398 total cpu time spent up to now is 218.8 secs Computing kpt #: 399 total cpu time spent up to now is 219.2 secs Computing kpt #: 400 total cpu time spent up to now is 219.7 secs Computing kpt #: 401 total cpu time spent up to now is 220.2 secs Computing kpt #: 402 total cpu time spent up to now is 220.6 secs Computing kpt #: 403 total cpu time spent up to now is 221.1 secs Computing kpt #: 404 total cpu time spent up to now is 221.6 secs Computing kpt #: 405 total cpu time spent up to now is 222.0 secs Computing kpt #: 406 total cpu time spent up to now is 222.5 secs Computing kpt #: 407 total cpu time spent up to now is 223.0 secs Computing kpt #: 408 total cpu time spent up to now is 223.6 secs Computing kpt #: 409 total cpu time spent up to now is 224.2 secs Computing kpt #: 410 total cpu time spent up to now is 224.8 secs Computing kpt #: 411 total cpu time spent up to now is 225.4 secs Computing kpt #: 412 total cpu time spent up to now is 226.1 secs Computing kpt #: 413 total cpu time spent up to now is 226.8 secs Computing kpt #: 414 total cpu time spent up to now is 227.4 secs Computing kpt #: 415 total cpu time spent up to now is 228.0 secs Computing kpt #: 416 total cpu time spent up to now is 228.6 secs Computing kpt #: 417 total cpu time spent up to now is 229.2 secs Computing kpt #: 418 total cpu time spent up to now is 229.8 secs Computing kpt #: 419 total cpu time spent up to now is 230.4 secs Computing kpt #: 420 total cpu time spent up to now is 231.0 secs Computing kpt #: 421 total cpu time spent up to now is 231.6 secs Computing kpt #: 422 total cpu time spent up to now is 232.2 secs Computing kpt #: 423 total cpu time spent up to now is 232.9 secs Computing kpt #: 424 total cpu time spent up to now is 233.5 secs Computing kpt #: 425 total cpu time spent up to now is 234.1 secs Computing kpt #: 426 total cpu time spent up to now is 234.8 secs Computing kpt #: 427 total cpu time spent up to now is 235.4 secs Computing kpt #: 428 total cpu time spent up to now is 236.0 secs Computing kpt #: 429 total cpu time spent up to now is 236.6 secs Computing kpt #: 430 total cpu time spent up to now is 237.2 secs Computing kpt #: 431 total cpu time spent up to now is 237.9 secs Computing kpt #: 432 total cpu time spent up to now is 238.5 secs Computing kpt #: 433 total cpu time spent up to now is 239.1 secs Computing kpt #: 434 total cpu time spent up to now is 239.8 secs Computing kpt #: 435 total cpu time spent up to now is 240.4 secs Computing kpt #: 436 total cpu time spent up to now is 241.0 secs Computing kpt #: 437 total cpu time spent up to now is 241.7 secs Computing kpt #: 438 total cpu time spent up to now is 242.4 secs Computing kpt #: 439 total cpu time spent up to now is 243.0 secs Computing kpt #: 440 total cpu time spent up to now is 243.7 secs Computing kpt #: 441 total cpu time spent up to now is 244.4 secs Computing kpt #: 442 total cpu time spent up to now is 245.0 secs Computing kpt #: 443 total cpu time spent up to now is 245.6 secs Computing kpt #: 444 total cpu time spent up to now is 246.3 secs Computing kpt #: 445 total cpu time spent up to now is 246.9 secs Computing kpt #: 446 total cpu time spent up to now is 247.6 secs Computing kpt #: 447 total cpu time spent up to now is 248.2 secs Computing kpt #: 448 total cpu time spent up to now is 248.9 secs Computing kpt #: 449 total cpu time spent up to now is 249.5 secs Computing kpt #: 450 total cpu time spent up to now is 250.0 secs ethr = 2.08E-08, avg # of iterations = 21.0 total cpu time spent up to now is 250.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2379 PWs) bands (ev): -13.0815 -13.0815 -8.2674 -8.2674 -7.7564 -7.7564 -7.4706 -7.4706 -6.1099 -6.1099 -6.0338 -6.0338 -3.2409 -3.2409 -2.8547 -2.8547 -2.2652 -2.2652 -0.3019 -0.3019 -0.0020 -0.0020 0.8912 0.8912 2.3556 2.3556 2.8161 2.8161 3.2237 3.2237 3.6176 3.6176 4.5367 4.5367 5.3532 5.3532 7.9101 7.9101 9.0932 9.0932 9.1877 9.1877 10.0018 10.0018 10.0410 10.0410 10.1044 10.1044 14.9603 14.9603 16.8182 16.8182 17.4860 17.4860 17.9799 17.9799 17.9856 17.9856 k = 0.0070 0.0119-0.0000 ( 2379 PWs) bands (ev): -13.0805 -13.0805 -8.2672 -8.2672 -7.7930 -7.7930 -7.4343 -7.4343 -6.1106 -6.1106 -6.0331 -6.0331 -3.2409 -3.2409 -2.8671 -2.8670 -2.2529 -2.2529 -0.3004 -0.3004 -0.0013 -0.0011 0.8879 0.8883 2.3609 2.3613 2.8168 2.8170 3.2211 3.2214 3.6132 3.6135 4.5373 4.5376 5.3556 5.3560 7.9120 7.9120 9.0930 9.0930 9.1836 9.1836 10.0008 10.0013 10.0385 10.0410 10.1009 10.1039 14.9627 14.9627 16.8182 16.8183 17.4892 17.4896 17.9809 17.9811 17.9861 17.9863 k = 0.0140 0.0239-0.0000 ( 2379 PWs) bands (ev): -13.0774 -13.0774 -8.2667 -8.2667 -7.8738 -7.8737 -7.3545 -7.3545 -6.1129 -6.1128 -6.0310 -6.0310 -3.2408 -3.2408 -2.9015 -2.9014 -2.2187 -2.2187 -0.2958 -0.2958 0.0009 0.0013 0.8788 0.8796 2.3771 2.3779 2.8191 2.8193 3.2138 3.2143 3.6001 3.6007 4.5392 4.5398 5.3629 5.3638 7.9174 7.9175 9.0924 9.0924 9.1713 9.1713 9.9983 9.9993 10.0329 10.0379 10.0939 10.0998 14.9700 14.9701 16.8183 16.8184 17.4990 17.4998 17.9825 17.9834 17.9894 17.9896 k = 0.0210 0.0358-0.0000 ( 2375 PWs) bands (ev): -13.0723 -13.0723 -8.2659 -8.2659 -7.9698 -7.9698 -7.2601 -7.2601 -6.1164 -6.1162 -6.0277 -6.0276 -3.2406 -3.2405 -2.9520 -2.9519 -2.1684 -2.1684 -0.2883 -0.2882 0.0043 0.0048 0.8647 0.8659 2.4035 2.4046 2.8229 2.8232 3.2017 3.2025 3.5790 3.5797 4.5425 4.5434 5.3751 5.3763 7.9264 7.9264 9.0914 9.0915 9.1511 9.1512 9.9939 9.9959 10.0232 10.0299 10.0851 10.0938 14.9822 14.9822 16.8185 16.8187 17.5151 17.5162 17.9835 17.9850 17.9968 17.9972 k = 0.0280 0.0477-0.0000 ( 2369 PWs) bands (ev): -13.0652 -13.0652 -8.2648 -8.2648 -8.0716 -8.0715 -7.1607 -7.1606 -6.1210 -6.1208 -6.0234 -6.0233 -3.2402 -3.2401 -3.0131 -3.0129 -2.1076 -2.1076 -0.2778 -0.2777 0.0083 0.0090 0.8470 0.8485 2.4392 2.4407 2.8282 2.8287 3.1851 3.1861 3.5501 3.5510 4.5470 4.5481 5.3916 5.3932 7.9387 7.9387 9.0899 9.0900 9.1234 9.1235 9.9869 9.9911 10.0085 10.0145 10.0775 10.0875 14.9992 14.9992 16.8189 16.8192 17.5368 17.5385 17.9847 17.9868 18.0078 18.0084 k = 0.0350 0.0597-0.0000 ( 2369 PWs) bands (ev): -13.0561 -13.0561 -8.2634 -8.2633 -8.1758 -8.1758 -7.0595 -7.0595 -6.1264 -6.1262 -6.0182 -6.0181 -3.2396 -3.2395 -3.0808 -3.0806 -2.0402 -2.0401 -0.2646 -0.2645 0.0123 0.0132 0.8274 0.8292 2.4832 2.4851 2.8351 2.8356 3.1639 3.1650 3.5143 3.5154 4.5525 4.5538 5.4118 5.4138 7.9539 7.9539 9.0850 9.0853 9.0914 9.0919 9.9726 9.9845 9.9905 9.9923 10.0726 10.0825 15.0208 15.0209 16.8196 16.8200 17.5634 17.5655 17.9869 17.9896 18.0217 18.0225 k = 0.0420 0.0716-0.0000 ( 2369 PWs) bands (ev): -13.0449 -13.0449 -8.2812 -8.2811 -8.2617 -8.2617 -6.9582 -6.9581 -6.1326 -6.1323 -6.0123 -6.0122 -3.2387 -3.2385 -3.1525 -3.1522 -1.9686 -1.9685 -0.2488 -0.2487 0.0153 0.0163 0.8078 0.8100 2.5345 2.5367 2.8434 2.8441 3.1383 3.1396 3.4724 3.4735 4.5589 4.5602 5.4353 5.4375 7.9716 7.9716 9.0462 9.0462 9.0869 9.0872 9.9450 9.9574 9.9776 9.9807 10.0700 10.0790 15.0471 15.0472 16.8208 16.8212 17.5935 17.5961 17.9910 17.9944 18.0384 18.0393 k = 0.0490 0.0835-0.0000 ( 2365 PWs) bands (ev): -13.0317 -13.0317 -8.3870 -8.3869 -8.2599 -8.2598 -6.8573 -6.8572 -6.1394 -6.1391 -6.0057 -6.0056 -3.2373 -3.2371 -3.2265 -3.2261 -1.8944 -1.8943 -0.2306 -0.2305 0.0161 0.0173 0.7904 0.7929 2.5920 2.5945 2.8533 2.8541 3.1085 3.1098 3.4252 3.4262 4.5659 4.5673 5.4612 5.4638 7.9912 7.9913 8.9988 8.9988 9.0846 9.0849 9.9078 9.9180 9.9687 9.9705 10.0689 10.0768 15.0779 15.0780 16.8225 16.8230 17.6255 17.6287 17.9981 18.0022 18.0573 18.0583 k = 0.0560 0.0955-0.0000 ( 2375 PWs) bands (ev): -13.0165 -13.0165 -8.4929 -8.4928 -8.2579 -8.2578 -6.7574 -6.7573 -6.1466 -6.1462 -5.9986 -5.9985 -3.3016 -3.3012 -3.2353 -3.2350 -1.8185 -1.8184 -0.2103 -0.2101 0.0135 0.0149 0.7773 0.7800 2.6546 2.6574 2.8646 2.8655 3.0745 3.0757 3.3735 3.3744 4.5733 4.5748 5.4891 5.4919 8.0120 8.0122 8.9463 8.9464 9.0822 9.0826 9.8637 9.8725 9.9586 9.9598 10.0687 10.0758 15.1130 15.1131 16.8248 16.8254 17.6571 17.6607 18.0100 18.0148 18.0781 18.0793 k = 0.0630 0.1074-0.0000 ( 2367 PWs) bands (ev): -12.9993 -12.9992 -8.5986 -8.5985 -8.2558 -8.2557 -6.6591 -6.6589 -6.1542 -6.1538 -5.9910 -5.9909 -3.3771 -3.3767 -3.2326 -3.2323 -1.7417 -1.7416 -0.1881 -0.1879 0.0064 0.0079 0.7704 0.7732 2.7214 2.7246 2.8774 2.8786 3.0365 3.0376 3.3184 3.3191 4.5810 4.5825 5.5183 5.5214 8.0330 8.0332 8.8901 8.8902 9.0797 9.0801 9.8139 9.8217 9.9474 9.9482 10.0694 10.0757 15.1524 15.1525 16.8280 16.8286 17.6857 17.6898 18.0287 18.0341 18.1006 18.1019 k = 0.0700 0.1193-0.0000 ( 2367 PWs) bands (ev): -12.9800 -12.9800 -8.7039 -8.7038 -8.2536 -8.2536 -6.5625 -6.5624 -6.1620 -6.1616 -5.9829 -5.9827 -3.4524 -3.4518 -3.2291 -3.2288 -1.6642 -1.6641 -0.1642 -0.1640 -0.0062 -0.0046 0.7711 0.7740 2.7915 2.7951 2.8918 2.8934 2.9944 2.9953 3.2607 3.2610 4.5887 4.5902 5.5483 5.5516 8.0528 8.0532 8.8314 8.8316 9.0772 9.0777 9.7590 9.7662 9.9350 9.9357 10.0708 10.0764 15.1958 15.1959 16.8320 16.8326 17.7090 17.7132 18.0562 18.0619 18.1242 18.1256 k = 0.0770 0.1313-0.0000 ( 2357 PWs) bands (ev): -12.9588 -12.9587 -8.8086 -8.8086 -8.2515 -8.2515 -6.4682 -6.4680 -6.1700 -6.1696 -5.9743 -5.9741 -3.5268 -3.5262 -3.2247 -3.2243 -1.5864 -1.5863 -0.1391 -0.1388 -0.0246 -0.0230 0.7804 0.7835 2.8627 2.8673 2.9089 2.9114 2.9485 2.9489 3.2011 3.2012 4.5962 4.5978 5.5785 5.5820 8.0696 8.0702 8.7723 8.7726 9.0747 9.0752 9.6999 9.7065 9.9216 9.9221 10.0731 10.0781 15.2432 15.2433 16.8370 16.8377 17.7254 17.7295 18.0933 18.0991 18.1487 18.1502 k = 0.0840 0.1432-0.0000 ( 2365 PWs) bands (ev): -12.9355 -12.9355 -8.9128 -8.9127 -8.2496 -8.2495 -6.3765 -6.3763 -6.1781 -6.1776 -5.9652 -5.9651 -3.5999 -3.5993 -3.2192 -3.2188 -1.5085 -1.5084 -0.1130 -0.1127 -0.0487 -0.0471 0.7987 0.8017 2.8980 2.8983 2.9160 2.9185 2.9511 2.9512 3.1402 3.1409 4.6034 4.6050 5.6085 5.6121 8.0810 8.0819 8.7151 8.7154 9.0723 9.0728 9.6371 9.6434 9.9073 9.9077 10.0761 10.0806 15.2942 15.2943 16.8430 16.8437 17.7346 17.7384 18.1394 18.1452 18.1735 18.1752 k = 0.0910 0.1551-0.0000 ( 2373 PWs) bands (ev): -12.9103 -12.9103 -9.0162 -9.0161 -8.2478 -8.2478 -6.2878 -6.2875 -6.1862 -6.1857 -5.9558 -5.9556 -3.6713 -3.6706 -3.2124 -3.2120 -1.4308 -1.4307 -0.0864 -0.0861 -0.0778 -0.0763 0.8255 0.8285 2.8437 2.8441 2.9389 2.9390 3.0244 3.0267 3.0792 3.0804 4.6100 4.6116 5.6378 5.6416 8.0839 8.0851 8.6629 8.6633 9.0701 9.0707 9.5715 9.5776 9.8921 9.8925 10.0801 10.0842 15.3487 15.3489 16.8501 16.8508 17.7377 17.7410 18.1926 18.1980 18.1989 18.2006 k = 0.0980 0.1671-0.0000 ( 2377 PWs) bands (ev): -12.8831 -12.8830 -9.1187 -9.1186 -8.2464 -8.2463 -6.2026 -6.2022 -6.1940 -6.1935 -5.9459 -5.9457 -3.7405 -3.7397 -3.2044 -3.2039 -1.3532 -1.3531 -0.1111 -0.1096 -0.0595 -0.0592 0.8603 0.8632 2.7851 2.7862 2.9586 2.9590 3.0185 3.0205 3.1033 3.1062 4.6159 4.6175 5.6660 5.6700 8.0747 8.0761 8.6191 8.6195 9.0682 9.0688 9.5038 9.5098 9.8761 9.8765 10.0850 10.0887 15.4066 15.4067 16.8582 16.8589 17.7359 17.7387 18.2227 18.2242 18.2526 18.2575 k = 0.1050 0.1790-0.0000 ( 2377 PWs) bands (ev): -12.8539 -12.8538 -9.2203 -9.2203 -8.2453 -8.2452 -6.2017 -6.2011 -6.1213 -6.1208 -5.9356 -5.9355 -3.8070 -3.8061 -3.1949 -3.1943 -1.2761 -1.2760 -0.1473 -0.1459 -0.0329 -0.0325 0.9021 0.9050 2.7230 2.7247 2.9589 2.9611 2.9790 2.9801 3.1839 3.1872 4.6209 4.6224 5.6929 5.6970 8.0505 8.0521 8.5866 8.5868 9.0667 9.0673 9.4353 9.4413 9.8596 9.8599 10.0910 10.0944 15.4675 15.4677 16.8672 16.8680 17.7306 17.7329 18.2463 18.2479 18.3152 18.3200 k = 0.1120 0.1909-0.0000 ( 2377 PWs) bands (ev): -12.8227 -12.8227 -9.3210 -9.3209 -8.2447 -8.2446 -6.2089 -6.2083 -6.0445 -6.0440 -5.9249 -5.9248 -3.8703 -3.8692 -3.1838 -3.1832 -1.1995 -1.1995 -0.1852 -0.1839 -0.0069 -0.0065 0.9501 0.9529 2.6578 2.6600 2.9004 2.9035 3.0003 3.0014 3.2657 3.2693 4.6247 4.6262 5.7181 5.7223 8.0102 8.0119 8.5656 8.5656 9.0656 9.0664 9.3670 9.3730 9.8425 9.8428 10.0982 10.1012 15.5312 15.5314 16.8773 16.8780 17.7229 17.7247 18.2686 18.2703 18.3800 18.3846 k = 0.1190 0.2029-0.0000 ( 2385 PWs) bands (ev): -12.7896 -12.7895 -9.4205 -9.4205 -8.2447 -8.2446 -6.2156 -6.2150 -5.9728 -5.9722 -5.9139 -5.9138 -3.9298 -3.9286 -3.1711 -3.1705 -1.1240 -1.1240 -0.2236 -0.2224 0.0179 0.0183 1.0035 1.0061 2.5900 2.5927 2.8433 2.8469 3.0226 3.0239 3.3481 3.3520 4.6271 4.6287 5.7413 5.7456 7.9555 7.9572 8.5534 8.5538 9.0652 9.0660 9.3004 9.3065 9.8251 9.8254 10.1066 10.1093 15.5975 15.5977 16.8881 16.8888 17.7135 17.7150 18.2892 18.2910 18.4455 18.4500 k = 0.1260 0.2148-0.0000 ( 2387 PWs) bands (ev): -12.7545 -12.7545 -9.5190 -9.5189 -8.2454 -8.2452 -6.2216 -6.2210 -5.9069 -5.9062 -5.9026 -5.9025 -3.9849 -3.9836 -3.1568 -3.1561 -1.0499 -1.0498 -0.2612 -0.2602 0.0411 0.0415 1.0614 1.0639 2.5205 2.5236 2.7876 2.7916 3.0458 3.0473 3.4311 3.4351 4.6281 4.6297 5.7622 5.7667 7.8894 7.8911 8.5461 8.5469 9.0654 9.0663 9.2374 9.2438 9.8073 9.8076 10.1162 10.1186 15.6661 15.6663 16.8997 16.9004 17.7033 17.7044 18.3077 18.3096 18.5107 18.5151 k = 0.1330 0.2267-0.0000 ( 2387 PWs) bands (ev): -12.7175 -12.7175 -9.6163 -9.6162 -8.2468 -8.2467 -6.2268 -6.2261 -5.8910 -5.8909 -5.8475 -5.8468 -4.0349 -4.0335 -3.1407 -3.1400 -0.9781 -0.9779 -0.2964 -0.2956 0.0621 0.0625 1.1231 1.1256 2.4500 2.4534 2.7332 2.7375 3.0699 3.0716 3.5142 3.5185 4.6273 4.6289 5.7806 5.7852 7.8151 7.8168 8.5388 8.5401 9.0665 9.0674 9.1804 9.1869 9.7895 9.7898 10.1270 10.1290 15.7367 15.7368 16.9118 16.9124 17.6928 17.6937 18.3237 18.3256 18.5747 18.5791 k = 0.1400 0.2387-0.0000 ( 2383 PWs) bands (ev): -12.6786 -12.6786 -9.7124 -9.7123 -8.2491 -8.2490 -6.2310 -6.2303 -5.8792 -5.8790 -5.7954 -5.7945 -4.0792 -4.0777 -3.1228 -3.1220 -0.9099 -0.9096 -0.3274 -0.3267 0.0803 0.0808 1.1882 1.1906 2.3791 2.3829 2.6801 2.6847 3.0948 3.0966 3.5973 3.6018 4.6245 4.6261 5.7964 5.8010 7.7354 7.7370 8.5271 8.5288 9.0684 9.0694 9.1318 9.1384 9.7717 9.7720 10.1389 10.1407 15.8089 15.8091 16.9242 16.9248 17.6827 17.6833 18.3368 18.3387 18.6369 18.6413 k = 0.1470 0.2506-0.0000 ( 2381 PWs) bands (ev): -12.6378 -12.6378 -9.8071 -9.8071 -8.2524 -8.2523 -6.2342 -6.2334 -5.8671 -5.8669 -5.7512 -5.7503 -4.1172 -4.1156 -3.1031 -3.1023 -0.8475 -0.8471 -0.3513 -0.3508 0.0953 0.0958 1.2560 1.2583 2.3087 2.3126 2.6283 2.6330 3.1205 3.1224 3.6802 3.6849 4.6195 4.6212 5.8092 5.8139 7.6523 7.6539 8.5074 8.5094 9.0714 9.0724 9.0941 9.1007 9.7541 9.7544 10.1519 10.1534 15.8826 15.8828 16.9367 16.9373 17.6733 17.6737 18.3466 18.3485 18.6968 18.7013 k = 0.1540 0.2625-0.0000 ( 2381 PWs) bands (ev): -12.5951 -12.5950 -9.9006 -9.9005 -8.2568 -8.2566 -6.2361 -6.2353 -5.8548 -5.8547 -5.7156 -5.7146 -4.1483 -4.1465 -3.0815 -3.0806 -0.7945 -0.7937 -0.3643 -0.3641 0.1064 0.1069 1.3260 1.3282 2.2392 2.2433 2.5778 2.5827 3.1468 3.1489 3.7627 3.7675 4.6121 4.6138 5.8190 5.8237 7.5673 7.5689 8.4776 8.4797 9.0681 9.0737 9.0757 9.0775 9.7368 9.7372 10.1658 10.1669 15.9572 15.9574 16.9491 16.9497 17.6652 17.6655 18.3525 18.3544 18.7540 18.7585 k = 0.1610 0.2745-0.0000 ( 2385 PWs) bands (ev): -12.5505 -12.5505 -9.9927 -9.9926 -8.2622 -8.2621 -6.2367 -6.2359 -5.8424 -5.8423 -5.6892 -5.6881 -4.1720 -4.1701 -3.0581 -3.0572 -0.7552 -0.7541 -0.3617 -0.3616 0.1130 0.1136 1.3978 1.4000 2.1713 2.1755 2.5287 2.5337 3.1738 3.1760 3.8446 3.8496 4.6021 4.6038 5.8256 5.8303 7.4815 7.4831 8.4378 8.4396 9.0543 9.0601 9.0809 9.0821 9.7201 9.7204 10.1803 10.1812 16.0325 16.0327 16.9610 16.9616 17.6588 17.6589 18.3542 18.3560 18.8081 18.8126 k = 0.1680 0.2864-0.0000 ( 2389 PWs) bands (ev): -12.5041 -12.5040 -10.0834 -10.0833 -8.2689 -8.2687 -6.2358 -6.2350 -5.8300 -5.8298 -5.6721 -5.6710 -4.1882 -4.1863 -3.0328 -3.0318 -0.7327 -0.7314 -0.3400 -0.3396 0.1147 0.1153 1.4711 1.4732 2.1055 2.1098 2.4812 2.4862 3.2013 3.2038 3.9257 3.9309 4.5893 4.5910 5.8288 5.8335 7.3959 7.3974 8.3893 8.3909 9.0505 9.0557 9.0876 9.0888 9.7040 9.7044 10.1953 10.1959 16.1080 16.1082 16.9722 16.9729 17.6545 17.6545 18.3512 18.3529 18.8591 18.8636 k = 0.1750 0.2983-0.0000 ( 2389 PWs) bands (ev): -12.4558 -12.4558 -10.1726 -10.1725 -8.2768 -8.2766 -6.2334 -6.2325 -5.8175 -5.8173 -5.6644 -5.6632 -4.1971 -4.1951 -3.0057 -3.0047 -0.7261 -0.7246 -0.2997 -0.2991 0.1109 0.1115 1.5455 1.5475 2.0422 2.0465 2.4353 2.4403 3.2294 3.2320 4.0059 4.0113 4.5734 4.5751 5.8286 5.8333 7.3111 7.3126 8.3346 8.3358 9.0544 9.0590 9.0956 9.0969 9.6887 9.6892 10.2104 10.2107 16.1834 16.1836 16.9825 16.9831 17.6526 17.6527 18.3430 18.3447 18.9064 18.9110 k = 0.1820 0.3103-0.0000 ( 2379 PWs) bands (ev): -12.4058 -12.4057 -10.2603 -10.2603 -8.2859 -8.2857 -6.2294 -6.2285 -5.8050 -5.8049 -5.6656 -5.6644 -4.1991 -4.1970 -2.9768 -2.9757 -0.7307 -0.7291 -0.2453 -0.2445 0.1012 0.1018 1.6205 1.6225 1.9817 1.9860 2.3914 2.3962 3.2580 3.2608 4.0850 4.0906 4.5543 4.5561 5.8249 5.8295 7.2276 7.2291 8.2759 8.2769 9.0637 9.0677 9.1052 9.1066 9.6745 9.6750 10.2254 10.2255 16.2583 16.2584 16.9914 16.9920 17.6535 17.6537 18.3294 18.3309 18.9497 18.9542 k = 0.1890 0.3222-0.0000 ( 2381 PWs) bands (ev): -12.3539 -12.3538 -10.3465 -10.3465 -8.2963 -8.2961 -6.2238 -6.2228 -5.7926 -5.7925 -5.6751 -5.6739 -4.1949 -4.1928 -2.9462 -2.9450 -0.7414 -0.7398 -0.1816 -0.1808 0.0854 0.0860 1.6959 1.6978 1.9241 1.9283 2.3494 2.3541 3.2872 3.2901 4.1628 4.1685 4.5318 4.5336 5.8177 5.8222 7.1460 7.1476 8.2154 8.2160 9.0767 9.0800 9.1164 9.1178 9.6615 9.6620 10.2397 10.2400 16.3322 16.3323 16.9987 16.9992 17.6577 17.6579 18.3098 18.3112 18.9874 18.9918 k = 0.1960 0.3341-0.0000 ( 2385 PWs) bands (ev): -12.3003 -12.3002 -10.4312 -10.4312 -8.3080 -8.3078 -6.2165 -6.2155 -5.7804 -5.7803 -5.6922 -5.6909 -4.1856 -4.1834 -2.9139 -2.9126 -0.7545 -0.7529 -0.1123 -0.1115 0.0633 0.0639 1.7713 1.7731 1.8695 1.8736 2.3096 2.3141 3.3169 3.3200 4.2392 4.2451 4.5059 4.5076 5.8068 5.8113 7.0668 7.0683 8.1546 8.1550 9.0918 9.0945 9.1292 9.1307 9.6499 9.6504 10.2531 10.2536 16.4047 16.4047 17.0040 17.0045 17.6654 17.6656 18.2841 18.2853 19.0167 19.0206 k = 0.2030 0.3461-0.0000 ( 2385 PWs) bands (ev): -12.2449 -12.2448 -10.5143 -10.5142 -8.3210 -8.3207 -6.2075 -6.2065 -5.7684 -5.7682 -5.7157 -5.7145 -4.1720 -4.1699 -2.8799 -2.8786 -0.7677 -0.7660 -0.0395 -0.0387 0.0349 0.0355 1.8179 1.8217 1.8463 1.8480 2.2722 2.2764 3.3471 3.3505 4.3140 4.3201 4.4764 4.4782 5.7924 5.7967 6.9902 6.9917 8.0949 8.0950 9.1083 9.1104 9.1436 9.1453 9.6397 9.6403 10.2652 10.2660 16.4753 16.4753 17.0071 17.0076 17.6770 17.6772 18.2521 18.2531 19.0349 19.0379 k = 0.2100 0.3580-0.0000 ( 2389 PWs) bands (ev): -12.1878 -12.1877 -10.5958 -10.5957 -8.3352 -8.3349 -6.1969 -6.1958 -5.7566 -5.7565 -5.7448 -5.7436 -4.1554 -4.1532 -2.8444 -2.8430 -0.7793 -0.7777 0.0005 0.0010 0.0353 0.0361 1.7689 1.7725 1.9205 1.9221 2.2370 2.2409 3.3780 3.3816 4.3871 4.3933 4.4434 4.4451 5.7744 5.7785 6.9166 6.9181 8.0370 8.0370 9.1253 9.1269 9.1599 9.1616 9.6313 9.6320 10.2758 10.2768 16.5435 16.5436 17.0078 17.0083 17.6927 17.6928 18.2139 18.2146 19.0455 19.0480 k = 0.2170 0.3699-0.0000 ( 2393 PWs) bands (ev): -12.1290 -12.1290 -10.6756 -10.6756 -8.3505 -8.3503 -6.1846 -6.1836 -5.7784 -5.7772 -5.7452 -5.7450 -4.1367 -4.1346 -2.8075 -2.8060 -0.7885 -0.7869 -0.0396 -0.0392 0.1112 0.1120 1.7222 1.7255 1.9935 1.9950 2.2042 2.2078 3.4097 3.4135 4.4068 4.4086 4.4583 4.4648 5.7527 5.7567 6.8463 6.8478 7.9817 7.9819 9.1423 9.1434 9.1780 9.1798 9.6248 9.6256 10.2844 10.2857 16.6092 16.6093 17.0058 17.0062 17.7128 17.7128 18.1697 18.1701 19.0548 19.0570 k = 0.2240 0.3819-0.0000 ( 2397 PWs) bands (ev): -12.0686 -12.0685 -10.7538 -10.7537 -8.3670 -8.3668 -6.1709 -6.1699 -5.8156 -5.8145 -5.7342 -5.7340 -4.1169 -4.1148 -2.7692 -2.7676 -0.7946 -0.7930 -0.0848 -0.0845 0.1877 0.1885 1.6775 1.6805 2.0649 2.0663 2.1736 2.1768 3.4423 3.4463 4.3670 4.3687 4.5274 4.5341 5.7275 5.7312 6.7797 6.7812 7.9296 7.9299 9.1591 9.1597 9.1979 9.1999 9.6203 9.6212 10.2908 10.2923 16.6717 16.6720 17.0009 17.0013 17.7374 17.7374 18.1199 18.1201 19.0658 19.0679 k = 0.2310 0.3938-0.0000 ( 2401 PWs) bands (ev): -12.0065 -12.0065 -10.8302 -10.8302 -8.3846 -8.3844 -6.1558 -6.1547 -5.8557 -5.8546 -5.7237 -5.7235 -4.0968 -4.0947 -2.7296 -2.7280 -0.7972 -0.7956 -0.1345 -0.1343 0.2642 0.2650 1.6344 1.6369 2.1342 2.1355 2.1451 2.1478 3.4760 3.4801 4.3240 4.3257 4.5944 4.6012 5.6987 5.7022 6.7168 6.7183 7.8811 7.8815 9.1752 9.1754 9.2198 9.2218 9.6180 9.6189 10.2945 10.2963 16.7310 16.7313 16.9930 16.9934 17.7666 17.7667 18.0650 18.0651 19.0798 19.0820 k = 0.2380 0.4057-0.0000 ( 2401 PWs) bands (ev): -11.9429 -11.9428 -10.9050 -10.9049 -8.4031 -8.4029 -6.1395 -6.1383 -5.8979 -5.8969 -5.7137 -5.7135 -4.0770 -4.0751 -2.6890 -2.6873 -0.7958 -0.7942 -0.1879 -0.1878 0.3404 0.3412 1.5924 1.5945 2.1181 2.1203 2.2010 2.2023 3.5110 3.5154 4.2781 4.2798 4.6591 4.6661 5.6664 5.6697 6.6581 6.6596 7.8365 7.8370 9.1903 9.1906 9.2435 9.2456 9.6180 9.6189 10.2955 10.2975 16.7868 16.7871 16.9820 16.9823 17.8006 17.8009 18.0057 18.0062 19.0972 19.0995 k = 0.2450 0.4177-0.0000 ( 2401 PWs) bands (ev): -11.8777 -11.8777 -10.9780 -10.9779 -8.4225 -8.4222 -6.1220 -6.1209 -5.9418 -5.9408 -5.7043 -5.7040 -4.0582 -4.0563 -2.6474 -2.6456 -0.7903 -0.7888 -0.2442 -0.2442 0.4161 0.4168 1.5511 1.5528 2.0923 2.0941 2.2647 2.2659 3.5476 3.5522 4.2298 4.2314 4.7214 4.7285 5.6307 5.6337 6.6036 6.6051 7.7960 7.7965 9.2043 9.2050 9.2691 9.2713 9.6203 9.6213 10.2934 10.2956 16.8388 16.8393 16.9680 16.9682 17.8394 17.8398 17.9431 17.9439 19.0794 19.0812 k = 0.2520 0.4296-0.0000 ( 2405 PWs) bands (ev): -11.8111 -11.8110 -11.0492 -11.0492 -8.4426 -8.4424 -6.1037 -6.1025 -5.9867 -5.9858 -5.6955 -5.6953 -4.0408 -4.0389 -2.6050 -2.6031 -0.7806 -0.7790 -0.3026 -0.3024 0.4909 0.4917 1.5104 1.5116 2.0672 2.0685 2.3248 2.3259 3.5861 3.5908 4.1793 4.1809 4.7812 4.7884 5.5917 5.5944 6.5535 6.5550 7.7596 7.7602 9.2173 9.2184 9.2967 9.2990 9.6250 9.6262 10.2880 10.2905 16.8871 16.8876 16.9508 16.9509 17.8772 17.8779 17.8835 17.8849 19.0413 19.0434 k = 0.2590 0.4415-0.0000 ( 2401 PWs) bands (ev): -11.7430 -11.7429 -11.1187 -11.1186 -8.4634 -8.4632 -6.0848 -6.0836 -6.0323 -6.0314 -5.6873 -5.6871 -4.0251 -4.0233 -2.5621 -2.5600 -0.7665 -0.7649 -0.3621 -0.3618 0.5648 0.5656 1.4700 1.4708 2.0422 2.0430 2.3807 2.3817 3.6266 3.6316 4.1273 4.1288 4.8384 4.8457 5.5494 5.5518 6.5079 6.5093 7.7274 7.7280 9.2290 9.2305 9.3261 9.3285 9.6323 9.6335 10.2793 10.2820 16.9290 16.9303 16.9320 16.9338 17.8112 17.8125 17.9313 17.9317 19.0044 19.0067 k = 0.2660 0.4535-0.0000 ( 2405 PWs) bands (ev): -11.6735 -11.6734 -11.1863 -11.1863 -8.4848 -8.4845 -6.0782 -6.0774 -6.0655 -6.0643 -5.6799 -5.6796 -4.0113 -4.0095 -2.5187 -2.5166 -0.7480 -0.7465 -0.4218 -0.4213 0.6375 0.6383 1.4296 1.4300 2.0165 2.0168 2.4320 2.4329 3.6696 3.6747 4.0743 4.0757 4.8929 4.9004 5.5040 5.5061 6.4670 6.4683 7.6993 7.6998 9.2394 9.2413 9.3574 9.3599 9.6420 9.6434 10.2671 10.2700 16.9072 16.9074 16.9726 16.9733 17.7436 17.7452 17.9838 17.9843 18.9683 18.9708 k = 0.2730 0.4654-0.0000 ( 2401 PWs) bands (ev): -11.6027 -11.6026 -11.2522 -11.2521 -8.5065 -8.5063 -6.1242 -6.1234 -6.0463 -6.0451 -5.6730 -5.6728 -3.9995 -3.9978 -2.4752 -2.4729 -0.7251 -0.7236 -0.4807 -0.4801 0.7089 0.7096 1.3893 1.3893 1.9894 1.9896 2.4781 2.4790 3.7152 3.7204 4.0207 4.0221 4.9447 4.9522 5.4557 5.4575 6.4306 6.4319 7.6751 7.6757 9.2485 9.2508 9.3906 9.3932 9.6542 9.6557 10.2514 10.2545 16.8812 16.8816 17.0099 17.0106 17.6758 17.6778 18.0407 18.0413 18.9328 18.9354 k = 0.2800 0.4773-0.0000 ( 2401 PWs) bands (ev): -11.5306 -11.5305 -11.3162 -11.3161 -8.5286 -8.5283 -6.1699 -6.1691 -6.0275 -6.0263 -5.6667 -5.6664 -3.9899 -3.9883 -2.4318 -2.4294 -0.6979 -0.6964 -0.5380 -0.5372 0.7788 0.7795 1.3485 1.3488 1.9602 1.9608 2.5187 2.5196 3.7636 3.7690 3.9673 3.9686 4.9937 5.0014 5.4046 5.4062 6.3990 6.4002 7.6548 7.6553 9.2561 9.2588 9.4256 9.4283 9.6689 9.6704 10.2323 10.2356 16.8528 16.8533 17.0437 17.0444 17.6086 17.6109 18.1016 18.1022 18.8975 18.9002 k = 0.2870 0.4893-0.0000 ( 2405 PWs) bands (ev): -11.4573 -11.4573 -11.3783 -11.3783 -8.5508 -8.5506 -6.2152 -6.2145 -6.0096 -6.0084 -5.6607 -5.6605 -3.9825 -3.9809 -2.3887 -2.3862 -0.6665 -0.6650 -0.5928 -0.5919 0.8471 0.8478 1.3075 1.3082 1.9284 1.9294 2.5534 2.5543 3.8148 3.8203 3.9147 3.9159 5.0400 5.0477 5.3509 5.3522 6.3720 6.3731 7.6381 7.6386 9.2623 9.2653 9.4623 9.4651 9.6858 9.6875 10.2097 10.2133 16.8221 16.8229 17.0742 17.0748 17.5425 17.5452 18.1662 18.1669 18.8622 18.8651 k = 0.2940 0.5012-0.0000 ( 2409 PWs) bands (ev): -11.4386 -11.4385 -11.3829 -11.3828 -8.5731 -8.5728 -6.2600 -6.2593 -5.9932 -5.9920 -5.6549 -5.6547 -3.9772 -3.9756 -2.3463 -2.3436 -0.6442 -0.6431 -0.6310 -0.6295 0.9136 0.9144 1.2662 1.2672 1.8937 1.8951 2.5821 2.5829 3.8633 3.8644 3.8689 3.8746 5.0834 5.0912 5.2948 5.2958 6.3496 6.3506 7.6248 7.6253 9.2668 9.2702 9.5007 9.5036 9.7050 9.7068 10.1839 10.1876 16.7895 16.7905 17.1013 17.1020 17.4779 17.4810 18.2344 18.2350 18.8269 18.8298 k = 0.3010 0.5131-0.0000 ( 2409 PWs) bands (ev): -11.4970 -11.4969 -11.3075 -11.3074 -8.5953 -8.5951 -6.3039 -6.3033 -5.9790 -5.9778 -5.6490 -5.6488 -3.9739 -3.9724 -2.3048 -2.3020 -0.6913 -0.6900 -0.5916 -0.5901 0.9783 0.9791 1.2246 1.2260 1.8556 1.8574 2.6047 2.6055 3.8138 3.8149 3.9256 3.9313 5.1242 5.1320 5.2366 5.2373 6.3319 6.3328 7.6146 7.6151 9.2698 9.2735 9.5408 9.5437 9.7262 9.7281 10.1549 10.1588 16.7555 16.7567 17.1253 17.1259 17.4153 17.4187 18.3059 18.3065 18.7914 18.7944 k = 0.3080 0.5251-0.0000 ( 2413 PWs) bands (ev): -11.5534 -11.5534 -11.2311 -11.2310 -8.6173 -8.6171 -6.3471 -6.3464 -5.9676 -5.9664 -5.6425 -5.6423 -3.9725 -3.9711 -2.2645 -2.2616 -0.7333 -0.7319 -0.5483 -0.5469 1.0412 1.0419 1.1825 1.1842 1.8139 1.8160 2.6210 2.6219 3.7666 3.7676 3.9848 3.9906 5.1621 5.1698 5.1764 5.1772 6.3186 6.3194 7.6073 7.6078 9.2711 9.2752 9.5823 9.5853 9.7493 9.7514 10.1230 10.1271 16.7203 16.7219 17.1462 17.1467 17.3550 17.3588 18.3803 18.3809 18.7557 18.7587 k = 0.3150 0.5370-0.0000 ( 2413 PWs) bands (ev): -11.6080 -11.6080 -11.1539 -11.1538 -8.6390 -8.6388 -6.3892 -6.3886 -5.9599 -5.9587 -5.6351 -5.6349 -3.9729 -3.9716 -2.2256 -2.2226 -0.7695 -0.7679 -0.5014 -0.5000 1.1019 1.1027 1.1399 1.1418 1.7684 1.7709 2.6313 2.6322 3.7222 3.7231 4.0461 4.0520 5.1143 5.1146 5.1977 5.2057 6.3098 6.3105 7.6027 7.6031 9.2708 9.2753 9.6252 9.6283 9.7742 9.7763 10.0883 10.0926 16.6846 16.6864 17.1640 17.1645 17.2973 17.3014 18.4575 18.4581 18.7197 18.7227 k = 0.3220 0.5489-0.0000 ( 2411 PWs) bands (ev): -11.6606 -11.6606 -11.0760 -11.0759 -8.6603 -8.6600 -6.4302 -6.4297 -5.9565 -5.9554 -5.6263 -5.6262 -3.9750 -3.9737 -2.1884 -2.1853 -0.7993 -0.7976 -0.4512 -0.4498 1.0963 1.0985 1.1608 1.1614 1.7192 1.7220 2.6357 2.6366 3.6808 3.6815 4.1093 4.1152 5.0507 5.0508 5.2306 5.2387 6.3053 6.3059 7.6004 7.6008 9.2688 9.2736 9.6692 9.6725 9.8005 9.8028 10.0512 10.0557 16.6486 16.6507 17.1788 17.1792 17.2423 17.2468 18.5372 18.5377 18.6834 18.6863 k = 0.3290 0.5609-0.0000 ( 2411 PWs) bands (ev): -11.7113 -11.7113 -10.9975 -10.9974 -8.6810 -8.6808 -6.4701 -6.4696 -5.9580 -5.9569 -5.6160 -5.6159 -3.9785 -3.9773 -2.1530 -2.1498 -0.8221 -0.8202 -0.3977 -0.3963 1.0517 1.0542 1.2174 1.2181 1.6666 1.6696 2.6344 2.6353 3.6427 3.6433 4.1737 4.1797 4.9857 4.9858 5.2611 5.2692 6.3051 6.3055 7.6001 7.6005 9.2651 9.2703 9.7143 9.7176 9.8282 9.8307 10.0120 10.0167 16.6129 16.6153 17.1901 17.1907 17.1908 17.1952 18.6191 18.6194 18.6468 18.6497 k = 0.3360 0.5728-0.0000 ( 2413 PWs) bands (ev): -11.7601 -11.7600 -10.9185 -10.9184 -8.7010 -8.7008 -6.5088 -6.5083 -5.9647 -5.9637 -5.6039 -5.6039 -3.9833 -3.9821 -2.1194 -2.1161 -0.8374 -0.8355 -0.3413 -0.3399 1.0058 1.0085 1.2718 1.2725 1.6108 1.6141 2.6276 2.6286 3.6079 3.6084 4.2391 4.2451 4.9195 4.9198 5.2894 5.2975 6.3088 6.3091 7.6016 7.6021 9.2596 9.2651 9.7599 9.7634 9.8571 9.8598 9.9710 9.9759 16.5779 16.5805 17.1411 17.1462 17.1996 17.1998 18.6098 18.6125 18.7029 18.7033 k = 0.3360 0.5728-0.0000 ( 2413 PWs) bands (ev): -11.7601 -11.7600 -10.9185 -10.9184 -8.7010 -8.7008 -6.5088 -6.5083 -5.9647 -5.9637 -5.6039 -5.6039 -3.9833 -3.9821 -2.1194 -2.1161 -0.8374 -0.8355 -0.3413 -0.3399 1.0058 1.0085 1.2718 1.2725 1.6108 1.6141 2.6276 2.6286 3.6079 3.6084 4.2391 4.2451 4.9195 4.9198 5.2894 5.2975 6.3088 6.3091 7.6016 7.6021 9.2596 9.2651 9.7599 9.7634 9.8571 9.8598 9.9710 9.9759 16.5779 16.5805 17.1411 17.1462 17.1996 17.1998 18.6098 18.6125 18.7029 18.7033 k = 0.3226 0.5728-0.0000 ( 2413 PWs) bands (ev): -11.7377 -11.7376 -10.9564 -10.9563 -8.6895 -8.6893 -6.4915 -6.4910 -5.9605 -5.9595 -5.6104 -5.6103 -3.9795 -3.9783 -2.1366 -2.1334 -0.8319 -0.8301 -0.3677 -0.3663 1.0293 1.0318 1.2361 1.2367 1.6476 1.6508 2.6304 2.6314 3.6234 3.6240 4.2050 4.2110 4.9532 4.9535 5.2763 5.2844 6.3088 6.3093 7.6017 7.6021 9.2613 9.2666 9.7334 9.7368 9.8418 9.8443 9.9957 10.0004 16.5954 16.5979 17.1577 17.1617 17.2028 17.2037 18.6237 18.6265 18.6630 18.6644 k = 0.3092 0.5728-0.0000 ( 2414 PWs) bands (ev): -11.7175 -11.7175 -10.9921 -10.9920 -8.6743 -8.6741 -6.4773 -6.4768 -5.9572 -5.9562 -5.6173 -5.6171 -3.9733 -3.9721 -2.1560 -2.1528 -0.8276 -0.8258 -0.3894 -0.3881 1.0529 1.0552 1.1877 1.1883 1.6963 1.6994 2.6297 2.6307 3.6371 3.6378 4.1677 4.1736 4.9882 4.9887 5.2640 5.2720 6.3144 6.3149 7.6042 7.6046 9.2594 9.2645 9.7012 9.7043 9.8260 9.8284 10.0255 10.0300 16.6139 16.6163 17.1586 17.1607 17.2215 17.2241 18.6152 18.6176 18.6407 18.6442 k = 0.2957 0.5728-0.0000 ( 2416 PWs) bands (ev): -11.6997 -11.6997 -11.0255 -11.0254 -8.6555 -8.6552 -6.4661 -6.4656 -5.9548 -5.9538 -5.6246 -5.6244 -3.9643 -3.9630 -2.1773 -2.1741 -0.8255 -0.8238 -0.4055 -0.4042 1.0701 1.0721 1.1389 1.1399 1.7515 1.7545 2.6259 2.6268 3.6481 3.6489 4.1278 4.1337 5.0237 5.0246 5.2531 5.2611 6.3253 6.3258 7.6089 7.6094 9.2531 9.2577 9.6656 9.6686 9.8113 9.8134 10.0577 10.0620 16.6334 16.6356 17.1527 17.1538 17.2471 17.2504 18.5827 18.5836 18.6397 18.6428 k = 0.2823 0.5728-0.0000 ( 2412 PWs) bands (ev): -11.6843 -11.6843 -11.0567 -11.0566 -8.6330 -8.6328 -6.4581 -6.4575 -5.9534 -5.9523 -5.6327 -5.6324 -3.9523 -3.9510 -2.2003 -2.1972 -0.8264 -0.8249 -0.4153 -0.4140 1.0440 1.0462 1.1291 1.1319 1.8102 1.8131 2.6194 2.6203 3.6557 3.6566 4.0861 4.0920 5.0586 5.0599 5.2446 5.2524 6.3412 6.3417 7.6158 7.6163 9.2412 9.2454 9.6282 9.6311 9.7984 9.8004 10.0910 10.0950 16.6537 16.6557 17.1452 17.1457 17.2743 17.2779 18.5497 18.5502 18.6345 18.6375 k = 0.2688 0.5728-0.0000 ( 2413 PWs) bands (ev): -11.6714 -11.6713 -11.0855 -11.0854 -8.6070 -8.6068 -6.4531 -6.4525 -5.9529 -5.9518 -5.6417 -5.6413 -3.9369 -3.9356 -2.2248 -2.2217 -0.8310 -0.8296 -0.4185 -0.4174 0.9838 0.9857 1.1530 1.1558 1.8709 1.8736 2.6104 2.6113 3.6590 3.6600 4.0432 4.0489 5.0911 5.0930 5.2400 5.2476 6.3618 6.3624 7.6247 7.6252 9.2231 9.2267 9.5897 9.5925 9.7882 9.7900 10.1245 10.1284 16.6746 16.6765 17.1375 17.1377 17.3017 17.3055 18.5188 18.5195 18.6235 18.6265 k = 0.2554 0.5728-0.0000 ( 2413 PWs) bands (ev): -11.6608 -11.6608 -11.1119 -11.1118 -8.5777 -8.5775 -6.4513 -6.4507 -5.9533 -5.9521 -5.6518 -5.6512 -3.9182 -3.9169 -2.2506 -2.2477 -0.8391 -0.8379 -0.4156 -0.4146 0.9174 0.9191 1.1831 1.1858 1.9327 1.9354 2.5996 2.6004 3.6574 3.6585 3.9998 4.0054 5.1182 5.1207 5.2424 5.2494 6.3867 6.3874 7.6354 7.6360 9.1985 9.2016 9.5503 9.5531 9.7813 9.7830 10.1578 10.1615 16.6961 16.6978 17.1298 17.1304 17.3290 17.3328 18.4906 18.4916 18.6071 18.6101 k = 0.2419 0.5728-0.0000 ( 2413 PWs) bands (ev): -11.6527 -11.6527 -11.1359 -11.1359 -8.5451 -8.5449 -6.4527 -6.4520 -5.9544 -5.9533 -5.6629 -5.6623 -3.8958 -3.8945 -2.2777 -2.2748 -0.8502 -0.8492 -0.4075 -0.4067 0.8493 0.8509 1.2155 1.2181 1.9952 1.9978 2.5870 2.5879 3.6500 3.6511 3.9567 3.9620 5.1365 5.1397 5.2551 5.2609 6.4158 6.4165 7.6478 7.6483 9.1677 9.1703 9.5100 9.5128 9.7781 9.7796 10.1905 10.1940 16.7178 16.7193 17.1228 17.1237 17.3560 17.3598 18.4651 18.4665 18.5865 18.5894 k = 0.2285 0.5728-0.0000 ( 2419 PWs) bands (ev): -11.6469 -11.6469 -11.1576 -11.1575 -8.5095 -8.5093 -6.4571 -6.4565 -5.9563 -5.9551 -5.6752 -5.6746 -3.8699 -3.8685 -2.3058 -2.3029 -0.8637 -0.8628 -0.3955 -0.3948 0.7813 0.7828 1.2495 1.2520 2.0580 2.0605 2.5733 2.5740 3.6362 3.6372 3.9144 3.9194 5.1455 5.1491 5.2783 5.2829 6.4487 6.4494 7.6615 7.6621 9.1315 9.1335 9.4686 9.4714 9.7783 9.7798 10.2223 10.2256 16.7393 16.7408 17.1166 17.1179 17.3823 17.3861 18.4423 18.4442 18.5626 18.5655 k = 0.2151 0.5728-0.0000 ( 2415 PWs) bands (ev): -11.6433 -11.6432 -11.1769 -11.1768 -8.4712 -8.4709 -6.4647 -6.4641 -5.9587 -5.9576 -5.6886 -5.6879 -3.8404 -3.8390 -2.3347 -2.3320 -0.8785 -0.8778 -0.3809 -0.3803 0.7145 0.7159 1.2846 1.2870 2.1209 2.1234 2.5586 2.5594 3.6158 3.6166 3.8736 3.8781 5.1484 5.1524 5.3085 5.3120 6.4850 6.4857 7.6763 7.6770 9.0907 9.0923 9.4262 9.4289 9.7817 9.7831 10.2531 10.2562 16.7605 16.7620 17.1116 17.1134 17.4080 17.4118 18.4220 18.4244 18.5369 18.5398 k = 0.2016 0.5728-0.0000 ( 2411 PWs) bands (ev): -11.6416 -11.6416 -11.1939 -11.1938 -8.4303 -8.4300 -6.4754 -6.4748 -5.9617 -5.9606 -5.7029 -5.7021 -3.8074 -3.8061 -2.3645 -2.3618 -0.8941 -0.8936 -0.3652 -0.3646 0.6499 0.6512 1.3205 1.3228 2.1838 2.1861 2.5434 2.5442 3.5888 3.5892 3.8344 3.8383 5.1488 5.1529 5.3418 5.3446 6.5244 6.5251 7.6920 7.6927 9.0467 9.0478 9.3826 9.3852 9.7877 9.7891 10.2826 10.2855 16.7807 16.7823 17.1082 17.1102 17.4328 17.4365 18.4032 18.4063 18.5109 18.5137 k = 0.1882 0.5728-0.0000 ( 2406 PWs) bands (ev): -11.6418 -11.6418 -11.2088 -11.2087 -8.3872 -8.3869 -6.4892 -6.4885 -5.9652 -5.9641 -5.7178 -5.7170 -3.7713 -3.7700 -2.3951 -2.3925 -0.9098 -0.9093 -0.3495 -0.3491 0.5884 0.5897 1.3571 1.3593 2.2463 2.2486 2.5282 2.5289 3.5557 3.5559 3.7964 3.7997 5.1486 5.1526 5.3760 5.3783 6.5665 6.5672 7.7081 7.7089 9.0005 9.0013 9.3379 9.3404 9.7957 9.7971 10.3107 10.3134 16.7996 16.8013 17.1066 17.1090 17.4566 17.4602 18.3848 18.3885 18.4869 18.4896 k = 0.1747 0.5728-0.0000 ( 2408 PWs) bands (ev): -11.6435 -11.6435 -11.2217 -11.2217 -8.3422 -8.3420 -6.5060 -6.5053 -5.9690 -5.9679 -5.7330 -5.7323 -3.7323 -3.7310 -2.4263 -2.4237 -0.9250 -0.9247 -0.3353 -0.3349 0.5312 0.5323 1.3939 1.3961 2.3082 2.3103 2.5135 2.5142 3.5173 3.5178 3.7591 3.7616 5.1486 5.1524 5.4100 5.4119 6.6110 6.6117 7.7243 7.7251 8.9533 8.9539 9.2921 9.2945 9.8050 9.8064 10.3372 10.3397 16.8167 16.8186 17.1071 17.1098 17.4791 17.4826 18.3648 18.3688 18.4673 18.4698 k = 0.1613 0.5728-0.0000 ( 2408 PWs) bands (ev): -11.6464 -11.6464 -11.2328 -11.2328 -8.2959 -8.2956 -6.5256 -6.5250 -5.9731 -5.9720 -5.7482 -5.7475 -3.6908 -3.6895 -2.4581 -2.4556 -0.9396 -0.9393 -0.3236 -0.3232 0.4791 0.4802 1.4308 1.4329 2.3683 2.3703 2.5007 2.5014 3.4752 3.4761 3.7216 3.7235 5.1492 5.1528 5.4429 5.4445 6.6575 6.6582 7.7401 7.7409 8.9063 8.9067 9.2456 9.2479 9.8153 9.8167 10.3621 10.3645 16.8316 16.8336 17.1102 17.1130 17.5002 17.5036 18.3414 18.3456 18.4545 18.4565 k = 0.1479 0.5728-0.0000 ( 2408 PWs) bands (ev): -11.6503 -11.6503 -11.2423 -11.2423 -8.2485 -8.2483 -6.5479 -6.5473 -5.9774 -5.9764 -5.7631 -5.7624 -3.6472 -3.6458 -2.4905 -2.4881 -0.9531 -0.9528 -0.3154 -0.3151 0.4332 0.4342 1.4674 1.4694 2.4217 2.4233 2.4948 2.4957 3.4308 3.4321 3.6832 3.6845 5.1506 5.1539 5.4743 5.4757 6.7054 6.7061 7.7550 7.7558 8.8606 8.8608 9.1986 9.2007 9.8259 9.8273 10.3853 10.3874 16.8439 16.8460 17.1158 17.1187 17.5198 17.5231 18.3146 18.3187 18.4487 18.4502 k = 0.1344 0.5728-0.0000 ( 2405 PWs) bands (ev): -11.6548 -11.6548 -11.2504 -11.2503 -8.2007 -8.2004 -6.5725 -6.5720 -5.9818 -5.9808 -5.7772 -5.7766 -3.6019 -3.6006 -2.5233 -2.5210 -0.9654 -0.9652 -0.3116 -0.3112 0.3943 0.3951 1.5033 1.5051 2.4466 2.4472 2.5181 2.5197 3.3854 3.3871 3.6434 3.6443 5.1525 5.1556 5.5039 5.5052 6.7544 6.7551 7.7683 7.7692 8.8173 8.8174 9.1515 9.1534 9.8367 9.8380 10.4066 10.4086 16.8537 16.8558 17.1238 17.1267 17.5378 17.5410 18.2855 18.2893 18.4488 18.4499 k = 0.1210 0.5728-0.0000 ( 2405 PWs) bands (ev): -11.6598 -11.6598 -11.2572 -11.2572 -8.1530 -8.1528 -6.5991 -6.5986 -5.9862 -5.9853 -5.7904 -5.7898 -3.5556 -3.5543 -2.5565 -2.5543 -0.9765 -0.9763 -0.3124 -0.3121 0.3626 0.3634 1.5380 1.5397 2.4431 2.4434 2.5702 2.5719 3.3401 3.3421 3.6019 3.6025 5.1550 5.1577 5.5314 5.5325 6.8038 6.8045 7.7795 7.7804 8.7776 8.7776 9.1044 9.1062 9.8471 9.8483 10.4260 10.4278 16.8611 16.8631 17.1339 17.1367 17.5542 17.5573 18.2553 18.2589 18.4534 18.4542 k = 0.1075 0.5728-0.0000 ( 2397 PWs) bands (ev): -11.6648 -11.6648 -11.2629 -11.2629 -8.1061 -8.1059 -6.6271 -6.6266 -5.9906 -5.9898 -5.8023 -5.8018 -3.5088 -3.5075 -2.5899 -2.5878 -0.9862 -0.9860 -0.3177 -0.3174 0.3383 0.3389 1.5711 1.5727 2.4345 2.4348 2.6282 2.6298 3.2960 3.2982 3.5584 3.5593 5.1578 5.1603 5.5565 5.5575 6.8530 6.8537 7.7879 7.7889 8.7426 8.7427 9.0578 9.0594 9.8571 9.8582 10.4435 10.4452 16.8663 16.8681 17.1455 17.1482 17.5691 17.5720 18.2253 18.2285 18.4612 18.4618 k = 0.0941 0.5728-0.0000 ( 2396 PWs) bands (ev): -11.6698 -11.6698 -11.2677 -11.2677 -8.0608 -8.0607 -6.6557 -6.6553 -5.9948 -5.9941 -5.8129 -5.8124 -3.4622 -3.4609 -2.6233 -2.6213 -0.9945 -0.9944 -0.3270 -0.3266 0.3207 0.3213 1.6021 1.6034 2.4260 2.4262 2.6868 2.6882 3.2541 3.2567 3.5132 3.5144 5.1608 5.1630 5.5792 5.5800 6.9012 6.9019 7.7931 7.7940 8.7134 8.7135 9.0120 9.0136 9.8662 9.8673 10.4591 10.4605 16.8697 16.8713 17.1580 17.1604 17.5825 17.5852 18.1963 18.1993 18.4710 18.4715 k = 0.0806 0.5728-0.0000 ( 2396 PWs) bands (ev): -11.6744 -11.6744 -11.2716 -11.2716 -8.0181 -8.0179 -6.6841 -6.6837 -5.9987 -5.9981 -5.8221 -5.8217 -3.4167 -3.4155 -2.6563 -2.6544 -1.0015 -1.0014 -0.3389 -0.3386 0.3089 0.3094 1.6303 1.6315 2.4187 2.4189 2.7446 2.7458 3.2158 3.2186 3.4664 3.4679 5.1638 5.1657 5.5991 5.5998 6.9475 6.9481 7.7946 7.7955 8.6909 8.6911 8.9677 8.9691 9.8745 9.8755 10.4726 10.4738 16.8718 16.8732 17.1705 17.1726 17.5943 17.5968 18.1691 18.1718 18.4818 18.4824 k = 0.0672 0.5728-0.0000 ( 2398 PWs) bands (ev): -11.6787 -11.6786 -11.2748 -11.2748 -7.9789 -7.9788 -6.7112 -6.7109 -6.0023 -6.0017 -5.8298 -5.8294 -3.3733 -3.3722 -2.6882 -2.6865 -1.0072 -1.0071 -0.3522 -0.3519 0.3017 0.3021 1.6553 1.6563 2.4129 2.4131 2.8005 2.8014 3.1824 3.1855 3.4183 3.4201 5.1667 5.1682 5.6162 5.6168 6.9907 6.9913 7.7928 7.7936 8.6756 8.6759 8.9252 8.9265 9.8818 9.8826 10.4841 10.4851 16.8729 16.8741 17.1824 17.1841 17.6048 17.6069 18.1445 18.1468 18.4929 18.4934 k = 0.0538 0.5728-0.0000 ( 2405 PWs) bands (ev): -11.6823 -11.6823 -11.2773 -11.2773 -7.9445 -7.9443 -6.7359 -6.7357 -6.0053 -6.0049 -5.8360 -5.8357 -3.3334 -3.3323 -2.7181 -2.7166 -1.0117 -1.0117 -0.3653 -0.3651 0.2978 0.2980 1.6766 1.6774 2.4087 2.4089 2.8533 2.8537 3.1558 3.1593 3.3692 3.3714 5.1692 5.1704 5.6303 5.6308 7.0296 7.0301 7.7882 7.7889 8.6677 8.6680 8.8855 8.8866 9.8878 9.8885 10.4935 10.4944 16.8734 16.8744 17.1930 17.1944 17.6137 17.6155 18.1231 18.1251 18.5032 18.5037 k = 0.0403 0.5728-0.0000 ( 2403 PWs) bands (ev): -11.6852 -11.6852 -11.2792 -11.2792 -7.9159 -7.9158 -6.7570 -6.7568 -6.0078 -6.0074 -5.8407 -5.8405 -3.2985 -3.2976 -2.7447 -2.7435 -1.0151 -1.0150 -0.3770 -0.3768 0.2960 0.2962 1.6936 1.6943 2.4059 2.4061 2.9002 2.9004 3.1389 3.1429 3.3197 3.3224 5.1714 5.1723 5.6415 5.6418 7.0625 7.0629 7.7820 7.7826 8.6666 8.6669 8.8495 8.8505 9.8927 9.8932 10.5009 10.5015 16.8736 16.8743 17.2019 17.2030 17.6209 17.6224 18.1056 18.1072 18.5121 18.5125 k = 0.0269 0.5728-0.0000 ( 2400 PWs) bands (ev): -11.6873 -11.6873 -11.2806 -11.2806 -7.8944 -7.8944 -6.7731 -6.7730 -6.0096 -6.0093 -5.8441 -5.8440 -3.2709 -3.2702 -2.7661 -2.7652 -1.0174 -1.0174 -0.3861 -0.3860 0.2954 0.2955 1.7061 1.7065 2.4043 2.4044 2.9371 2.9376 3.1359 3.1404 3.2707 3.2738 5.1730 5.1736 5.6495 5.6497 7.0878 7.0881 7.7757 7.7762 8.6706 8.6709 8.8191 8.8198 9.8962 9.8965 10.5062 10.5067 16.8737 16.8741 17.2086 17.2093 17.6264 17.6274 18.0927 18.0937 18.5190 18.5193 k = 0.0134 0.5728-0.0000 ( 2400 PWs) bands (ev): -11.6886 -11.6886 -11.2814 -11.2814 -7.8811 -7.8810 -6.7832 -6.7832 -6.0106 -6.0105 -5.8461 -5.8460 -3.2528 -3.2524 -2.7801 -2.7797 -1.0188 -1.0188 -0.3919 -0.3919 0.2953 0.2953 1.7138 1.7140 2.4035 2.4035 2.9599 2.9603 3.1508 3.1552 3.2239 3.2274 5.1741 5.1744 5.6543 5.6544 7.1038 7.1039 7.7712 7.7714 8.6767 8.6769 8.7973 8.7977 9.8983 9.8985 10.5095 10.5097 16.8737 16.8739 17.2128 17.2132 17.6299 17.6305 18.0848 18.0853 18.5233 18.5235 k = 0.0000 0.5728-0.0000 ( 2402 PWs) bands (ev): -11.6891 -11.6891 -11.2816 -11.2816 -7.8765 -7.8765 -6.7867 -6.7867 -6.0110 -6.0110 -5.8467 -5.8467 -3.2464 -3.2464 -2.7849 -2.7849 -1.0192 -1.0192 -0.3939 -0.3939 0.2953 0.2953 1.7164 1.7164 2.4033 2.4033 2.9674 2.9674 3.1820 3.1820 3.1863 3.1863 5.1746 5.1746 5.6560 5.6560 7.1093 7.1093 7.7696 7.7696 8.6799 8.6799 8.7892 8.7892 9.8991 9.8991 10.5106 10.5106 16.8737 16.8737 17.2144 17.2144 17.6313 17.6313 18.0823 18.0823 18.5249 18.5249 k = 0.0000 0.5728-0.0000 ( 2402 PWs) bands (ev): -11.6891 -11.6891 -11.2816 -11.2816 -7.8765 -7.8765 -6.7867 -6.7867 -6.0110 -6.0110 -5.8467 -5.8467 -3.2464 -3.2464 -2.7849 -2.7849 -1.0192 -1.0192 -0.3939 -0.3939 0.2953 0.2953 1.7164 1.7164 2.4033 2.4033 2.9674 2.9674 3.1820 3.1820 3.1863 3.1863 5.1746 5.1746 5.6560 5.6560 7.1093 7.1093 7.7696 7.7696 8.6799 8.6799 8.7892 8.7892 9.8991 9.8991 10.5106 10.5106 16.8737 16.8737 17.2144 17.2144 17.6313 17.6313 18.0823 18.0823 18.5249 18.5249 k = 0.0000 0.5728 0.0137 ( 2398 PWs) bands (ev): -11.6881 -11.6881 -11.2806 -11.2806 -7.8779 -7.8779 -6.7897 -6.7897 -6.0139 -6.0139 -5.8486 -5.8486 -3.2432 -3.2432 -2.7801 -2.7801 -1.0163 -1.0163 -0.3942 -0.3942 0.2959 0.2959 1.7140 1.7142 2.4046 2.4048 2.9630 2.9632 3.1828 3.1828 3.1886 3.1886 5.1722 5.1723 5.6551 5.6552 7.1117 7.1118 7.7702 7.7704 8.6787 8.6788 8.7904 8.7904 9.8993 9.8995 10.5099 10.5100 16.8716 16.8716 17.2155 17.2155 17.6297 17.6298 18.0806 18.0808 18.5204 18.5206 k = 0.0000 0.5728 0.0274 ( 2396 PWs) bands (ev): -11.6851 -11.6851 -11.2776 -11.2776 -7.8821 -7.8821 -6.7988 -6.7988 -6.0227 -6.0226 -5.8542 -5.8542 -3.2340 -3.2339 -2.7656 -2.7656 -1.0074 -1.0074 -0.3950 -0.3950 0.2976 0.2977 1.7072 1.7076 2.4088 2.4091 2.9510 2.9513 3.1797 3.1798 3.1999 3.2000 5.1651 5.1653 5.6526 5.6527 7.1190 7.1191 7.7722 7.7725 8.6751 8.6753 8.7940 8.7940 9.9000 9.9004 10.5080 10.5081 16.8653 16.8653 17.2186 17.2187 17.6250 17.6251 18.0758 18.0761 18.5078 18.5081 k = 0.0000 0.5728 0.0411 ( 2398 PWs) bands (ev): -11.6802 -11.6802 -11.2726 -11.2726 -7.8892 -7.8892 -6.8140 -6.8140 -6.0369 -6.0368 -5.8631 -5.8631 -3.2188 -3.2187 -2.7419 -2.7418 -0.9927 -0.9927 -0.3966 -0.3965 0.3007 0.3009 1.6962 1.6967 2.4156 2.4160 2.9335 2.9340 3.1737 3.1739 3.2172 3.2172 5.1534 5.1537 5.6485 5.6486 7.1309 7.1311 7.7755 7.7760 8.6693 8.6695 8.7999 8.8000 9.9013 9.9019 10.5047 10.5049 16.8548 16.8548 17.2238 17.2239 17.6172 17.6174 18.0680 18.0684 18.4883 18.4888 k = 0.0000 0.5728 0.0548 ( 2388 PWs) bands (ev): -11.6733 -11.6733 -11.2656 -11.2656 -7.8992 -7.8992 -6.8354 -6.8354 -6.0561 -6.0559 -5.8748 -5.8748 -3.1983 -3.1982 -2.7093 -2.7092 -0.9720 -0.9719 -0.3989 -0.3989 0.3053 0.3056 1.6814 1.6820 2.4246 2.4252 2.9129 2.9135 3.1652 3.1654 3.2377 3.2377 5.1373 5.1377 5.6429 5.6430 7.1474 7.1477 7.7801 7.7808 8.6613 8.6615 8.8080 8.8080 9.9031 9.9039 10.5001 10.5004 16.8402 16.8402 17.2307 17.2308 17.6065 17.6067 18.0577 18.0583 18.4640 18.4646 k = 0.0000 0.5728 0.0685 ( 2394 PWs) bands (ev): -11.6644 -11.6644 -11.2567 -11.2567 -7.9123 -7.9123 -6.8631 -6.8630 -6.0795 -6.0794 -5.8886 -5.8886 -3.1732 -3.1731 -2.6686 -2.6685 -0.9453 -0.9452 -0.4022 -0.4022 0.3119 0.3122 1.6633 1.6640 2.4355 2.4362 2.8905 2.8913 3.1541 3.1544 3.2598 3.2598 5.1169 5.1174 5.6360 5.6361 7.1681 7.1685 7.7861 7.7869 8.6510 8.6514 8.8179 8.8180 9.9054 9.9065 10.4942 10.4945 16.8216 16.8216 17.2390 17.2392 17.5930 17.5933 18.0453 18.0460 18.4366 18.4373 k = 0.0000 0.5728 0.0822 ( 2394 PWs) bands (ev): -11.6535 -11.6535 -11.2457 -11.2457 -7.9286 -7.9286 -6.8971 -6.8970 -6.1064 -6.1063 -5.9039 -5.9039 -3.1442 -3.1440 -2.6206 -2.6204 -0.9125 -0.9125 -0.4067 -0.4066 0.3206 0.3210 1.6423 1.6432 2.4479 2.4487 2.8676 2.8684 3.1405 3.1408 3.2823 3.2823 5.0925 5.0931 5.6279 5.6279 7.1928 7.1933 7.7932 7.7942 8.6388 8.6392 8.8295 8.8296 9.9083 9.9096 10.4868 10.4873 16.7991 16.7992 17.2481 17.2483 17.5774 17.5778 18.0313 18.0322 18.4080 18.4089 k = 0.0000 0.5728 0.0959 ( 2392 PWs) bands (ev): -11.6407 -11.6407 -11.2327 -11.2327 -7.9483 -7.9482 -6.9374 -6.9373 -6.1360 -6.1359 -5.9199 -5.9199 -3.1120 -3.1117 -2.5661 -2.5659 -0.8738 -0.8737 -0.4125 -0.4125 0.3320 0.3324 1.6192 1.6201 2.4613 2.4622 2.8448 2.8457 3.1244 3.1248 3.3044 3.3045 5.0643 5.0650 5.6186 5.6187 7.2213 7.2218 7.8015 7.8026 8.6246 8.6251 8.8425 8.8425 9.9117 9.9132 10.4781 10.4786 16.7732 16.7733 17.2573 17.2576 17.5605 17.5609 18.0164 18.0174 18.3798 18.3809 k = 0.0000 0.5728 0.1096 ( 2392 PWs) bands (ev): -11.6260 -11.6260 -11.2178 -11.2178 -7.9714 -7.9714 -6.9839 -6.9838 -6.1674 -6.1672 -5.9361 -5.9361 -3.0775 -3.0772 -2.5062 -2.5059 -0.8289 -0.8288 -0.4198 -0.4198 0.3464 0.3469 1.5943 1.5953 2.4755 2.4763 2.8225 2.8235 3.1059 3.1063 3.3256 3.3258 5.0326 5.0333 5.6083 5.6083 7.2530 7.2536 7.8109 7.8120 8.6087 8.6093 8.8565 8.8565 9.9156 9.9172 10.4679 10.4684 16.7439 16.7441 17.2653 17.2656 17.5436 17.5441 18.0011 18.0023 18.3531 18.3543 k = 0.0000 0.5728 0.1234 ( 2392 PWs) bands (ev): -11.6092 -11.6092 -11.2009 -11.2009 -7.9983 -7.9983 -7.0363 -7.0363 -6.1997 -6.1995 -5.9519 -5.9519 -3.0414 -3.0411 -2.4416 -2.4414 -0.7781 -0.7780 -0.4287 -0.4287 0.3643 0.3648 1.5681 1.5692 2.4900 2.4909 2.8012 2.8023 3.0849 3.0853 3.3455 3.3457 4.9977 4.9985 5.5970 5.5970 7.2879 7.2885 7.8212 7.8225 8.5912 8.5918 8.8711 8.8711 9.9200 9.9218 10.4561 10.4568 16.7119 16.7121 17.2705 17.2708 17.5288 17.5293 17.9860 17.9873 18.3286 18.3299 k = 0.0000 0.5728 0.1371 ( 2392 PWs) bands (ev): -11.5906 -11.5906 -11.1820 -11.1820 -8.0290 -8.0290 -7.0945 -7.0944 -6.2321 -6.2319 -5.9670 -5.9670 -3.0044 -3.0041 -2.3736 -2.3733 -0.7213 -0.7212 -0.4394 -0.4393 0.3861 0.3865 1.5411 1.5422 2.5045 2.5054 2.7812 2.7823 3.0615 3.0619 3.3636 3.3638 4.9600 4.9608 5.5846 5.5847 7.3255 7.3261 7.8324 7.8337 8.5724 8.5730 8.8860 8.8860 9.9248 9.9267 10.4429 10.4436 16.6776 16.6779 17.2709 17.2713 17.5185 17.5190 17.9715 17.9729 18.3067 18.3080 k = 0.0000 0.5728 0.1508 ( 2390 PWs) bands (ev): -11.5700 -11.5700 -11.1612 -11.1612 -8.0636 -8.0636 -7.1578 -7.1577 -6.2639 -6.2636 -5.9811 -5.9811 -2.9672 -2.9668 -2.3030 -2.3027 -0.6588 -0.6587 -0.4515 -0.4514 0.4120 0.4124 1.5136 1.5148 2.5189 2.5198 2.7625 2.7637 3.0360 3.0364 3.3796 3.3799 4.9197 4.9204 5.5711 5.5712 7.3656 7.3662 7.8443 7.8457 8.5523 8.5531 8.9009 8.9009 9.9299 9.9320 10.4280 10.4288 16.6416 16.6419 17.2650 17.2654 17.5147 17.5153 17.9580 17.9595 18.2875 18.2890 k = 0.0000 0.5728 0.1645 ( 2384 PWs) bands (ev): -11.5474 -11.5474 -11.1385 -11.1384 -8.1023 -8.1022 -7.2259 -7.2259 -6.2943 -6.2941 -5.9942 -5.9942 -2.9301 -2.9298 -2.2309 -2.2306 -0.5908 -0.5907 -0.4651 -0.4649 0.4423 0.4427 1.4862 1.4874 2.5329 2.5337 2.7453 2.7466 3.0085 3.0089 3.3934 3.3937 4.8771 4.8779 5.5563 5.5565 7.4078 7.4085 7.8568 7.8583 8.5313 8.5321 8.9155 8.9155 9.9353 9.9376 10.4115 10.4124 16.6045 16.6048 17.2525 17.2530 17.5183 17.5190 17.9459 17.9476 18.2711 18.2727 k = 0.0000 0.5728 0.1782 ( 2388 PWs) bands (ev): -11.5230 -11.5230 -11.1138 -11.1138 -8.1449 -8.1449 -7.2983 -7.2983 -6.3229 -6.3227 -6.0062 -6.0061 -2.8937 -2.8933 -2.1583 -2.1580 -0.5177 -0.5175 -0.4797 -0.4795 0.4772 0.4776 1.4590 1.4603 2.5462 2.5470 2.7298 2.7311 2.9792 2.9795 3.4047 3.4050 4.8325 4.8333 5.5399 5.5402 7.4520 7.4527 7.8697 7.8713 8.5096 8.5105 8.9294 8.9294 9.9409 9.9432 10.3933 10.3943 16.5670 16.5674 17.2347 17.2352 17.5287 17.5294 17.9355 17.9372 18.2573 18.2589 k = 0.0000 0.5728 0.1919 ( 2388 PWs) bands (ev): -11.4967 -11.4966 -11.0872 -11.0872 -8.1915 -8.1915 -7.3745 -7.3744 -6.3492 -6.3490 -6.0171 -6.0171 -2.8582 -2.8578 -2.0863 -2.0860 -0.4949 -0.4947 -0.4396 -0.4395 0.5169 0.5173 1.4324 1.4337 2.5587 2.5593 2.7159 2.7173 2.9486 2.9488 3.4135 3.4138 4.7862 4.7870 5.5219 5.5222 7.4979 7.4986 7.8830 7.8846 8.4875 8.4884 8.9423 8.9424 9.9466 9.9490 10.3735 10.3745 16.5299 16.5304 17.2137 17.2142 17.5443 17.5450 17.9269 17.9287 18.2459 18.2476 k = 0.0000 0.5728 0.2056 ( 2390 PWs) bands (ev): -11.4684 -11.4684 -11.0587 -11.0587 -8.2420 -8.2420 -7.4539 -7.4538 -6.3729 -6.3727 -6.0271 -6.0271 -2.8238 -2.8234 -2.0160 -2.0157 -0.5101 -0.5098 -0.3573 -0.3572 0.5613 0.5616 1.4068 1.4081 2.5699 2.5705 2.7037 2.7052 2.9171 2.9172 3.4196 3.4199 4.7384 4.7392 5.5018 5.5022 7.5452 7.5458 7.8965 7.8981 8.4653 8.4663 8.9540 8.9542 9.9522 9.9547 10.3520 10.3530 16.4939 16.4944 17.1915 17.1921 17.5633 17.5640 17.9203 17.9222 18.2369 18.2386 k = 0.0000 0.5728 0.2193 ( 2392 PWs) bands (ev): -11.4383 -11.4383 -11.0284 -11.0283 -8.2962 -8.2962 -7.5361 -7.5360 -6.3938 -6.3935 -6.0363 -6.0363 -2.7906 -2.7901 -1.9484 -1.9481 -0.5246 -0.5242 -0.2713 -0.2712 0.6105 0.6107 1.3825 1.3838 2.5796 2.5799 2.6934 2.6948 2.8853 2.8853 3.4229 3.4232 4.6894 4.6901 5.4793 5.4798 7.5936 7.5942 7.9100 7.9116 8.4433 8.4443 8.9644 8.9646 9.9576 9.9601 10.3288 10.3299 16.4596 16.4602 17.1701 17.1706 17.5842 17.5850 17.9158 17.9179 18.2300 18.2318 k = 0.0000 0.5728 0.2330 ( 2394 PWs) bands (ev): -11.4063 -11.4063 -10.9962 -10.9962 -8.3539 -8.3538 -7.6205 -7.6205 -6.4116 -6.4114 -6.0448 -6.0448 -2.7586 -2.7581 -1.8847 -1.8844 -0.5375 -0.5371 -0.1822 -0.1821 0.6643 0.6645 1.3598 1.3612 2.5871 2.5872 2.6847 2.6862 2.8539 2.8541 3.4235 3.4238 4.6393 4.6399 5.4542 5.4548 7.6427 7.6433 7.9235 7.9251 8.4220 8.4231 8.9733 8.9735 9.9626 9.9651 10.3040 10.3052 16.4279 16.4285 17.1507 17.1513 17.6059 17.6067 17.9137 17.9158 18.2253 18.2270 k = 0.0000 0.5728 0.2467 ( 2396 PWs) bands (ev): -11.3725 -11.3725 -10.9622 -10.9621 -8.4147 -8.4147 -7.7069 -7.7068 -6.4265 -6.4262 -6.0528 -6.0528 -2.7278 -2.7273 -1.8262 -1.8259 -0.5478 -0.5474 -0.0909 -0.0909 0.7226 0.7228 1.3393 1.3407 2.5913 2.5916 2.6778 2.6794 2.8241 2.8247 3.4215 3.4217 4.5883 4.5888 5.4262 5.4268 7.6922 7.6928 7.9367 7.9382 8.4018 8.4029 8.9805 8.9808 9.9670 9.9695 10.2776 10.2788 16.3993 16.3999 17.1344 17.1350 17.6272 17.6280 17.9138 17.9161 18.2227 18.2245 k = 0.0000 0.5728 0.2604 ( 2396 PWs) bands (ev): -11.3368 -11.3368 -10.9264 -10.9263 -8.4785 -8.4784 -7.7947 -7.7946 -6.4383 -6.4381 -6.0603 -6.0603 -2.6982 -2.6977 -1.7739 -1.7736 -0.5546 -0.5541 0.0015 0.0015 0.7852 0.7853 1.3215 1.3229 2.5911 2.5918 2.6727 2.6742 2.7976 2.7986 3.4169 3.4170 4.5364 4.5369 5.3949 5.3956 7.7415 7.7420 7.9495 7.9510 8.3833 8.3844 8.9861 8.9864 9.9706 9.9732 10.2497 10.2510 16.3743 16.3750 17.1221 17.1227 17.6472 17.6480 17.9164 17.9187 18.2225 18.2243 k = 0.0000 0.5728 0.2741 ( 2396 PWs) bands (ev): -11.2994 -11.2993 -10.8888 -10.8888 -8.5448 -8.5448 -7.8836 -7.8836 -6.4473 -6.4470 -6.0677 -6.0676 -2.6695 -2.6690 -1.7291 -1.7288 -0.5567 -0.5561 0.0938 0.0939 0.8517 0.8517 1.3071 1.3085 2.5852 2.5863 2.6692 2.6708 2.7761 2.7775 3.4099 3.4100 4.4838 4.4841 5.3601 5.3609 7.7899 7.7904 7.9618 7.9633 8.3673 8.3684 8.9899 8.9903 9.9734 9.9760 10.2203 10.2217 16.3536 16.3544 17.1143 17.1149 17.6651 17.6659 17.9214 17.9238 18.2246 18.2264 k = 0.0000 0.5728 0.2878 ( 2396 PWs) bands (ev): -11.2601 -11.2601 -10.8496 -10.8496 -8.6133 -8.6133 -7.9734 -7.9733 -6.4535 -6.4532 -6.0748 -6.0748 -2.6417 -2.6412 -1.6925 -1.6923 -0.5532 -0.5527 0.1846 0.1847 0.9218 0.9218 1.2971 1.2985 2.5726 2.5742 2.6675 2.6691 2.7610 2.7628 3.4008 3.4008 4.4304 4.4306 5.3215 5.3224 7.8365 7.8369 7.9735 7.9749 8.3547 8.3558 8.9922 8.9926 9.9750 9.9776 10.1897 10.1912 16.3377 16.3384 17.1114 17.1120 17.6802 17.6809 17.9290 17.9314 18.2294 18.2311 k = 0.0000 0.5728 0.3015 ( 2394 PWs) bands (ev): -11.2191 -11.2191 -10.8087 -10.8087 -8.6836 -8.6836 -8.0636 -8.0636 -6.4571 -6.4568 -6.0820 -6.0820 -2.6147 -2.6142 -1.6650 -1.6648 -0.5435 -0.5429 0.2719 0.2720 0.9949 0.9950 1.2927 1.2942 2.5538 2.5557 2.6674 2.6690 2.7524 2.7545 3.3897 3.3898 4.3764 4.3764 5.2790 5.2800 7.8800 7.8802 7.9845 7.9858 8.3469 8.3479 8.9929 8.9933 9.9754 9.9780 10.1580 10.1595 16.3267 16.3275 17.1138 17.1144 17.6917 17.6924 17.9391 17.9416 18.2368 18.2384 k = 0.0000 0.5728 0.3152 ( 2392 PWs) bands (ev): -11.1764 -11.1764 -10.7663 -10.7663 -8.7554 -8.7554 -8.1541 -8.1540 -6.4582 -6.4580 -6.0893 -6.0892 -2.5882 -2.5876 -1.6469 -1.6467 -0.5270 -0.5265 0.3534 0.3536 1.0706 1.0708 1.2958 1.2973 2.5304 2.5325 2.6690 2.6706 2.7491 2.7513 3.3771 3.3773 4.3215 4.3216 5.2324 5.2335 7.9188 7.9188 7.9946 7.9958 8.3454 8.3461 8.9922 8.9926 9.9742 9.9768 10.1254 10.1270 16.3212 16.3220 17.1216 17.1221 17.6994 17.7000 17.9517 17.9543 18.2467 18.2483 k = 0.0000 0.5728 0.3289 ( 2388 PWs) bands (ev): -11.1320 -11.1320 -10.7224 -10.7224 -8.8282 -8.8282 -8.2446 -8.2445 -6.4572 -6.4569 -6.0967 -6.0966 -2.5620 -2.5615 -1.6379 -1.6377 -0.5040 -0.5034 0.4264 0.4267 1.1482 1.1485 1.3082 1.3097 2.5044 2.5067 2.6722 2.6738 2.7494 2.7516 3.3633 3.3636 4.2658 4.2661 5.1817 5.1828 7.9510 7.9512 8.0037 8.0048 8.3517 8.3523 8.9903 8.9907 9.9715 9.9741 10.0920 10.0937 16.3212 16.3221 17.1346 17.1352 17.7030 17.7036 17.9668 17.9694 18.2591 18.2605 k = 0.0000 0.5728 0.3426 ( 2390 PWs) bands (ev): -11.0860 -11.0860 -10.6771 -10.6771 -8.9017 -8.9017 -8.3348 -8.3348 -6.4540 -6.4538 -6.1044 -6.1043 -2.5361 -2.5356 -1.6375 -1.6374 -0.4747 -0.4742 0.4883 0.4885 1.2270 1.2274 1.3320 1.3335 2.4777 2.4800 2.6770 2.6786 2.7520 2.7542 3.3488 3.3492 4.2095 4.2099 5.1268 5.1280 7.9755 7.9760 8.0118 8.0127 8.3670 8.3674 8.9875 8.9878 9.9670 9.9696 10.0582 10.0600 16.3270 16.3278 17.1526 17.1531 17.7028 17.7034 17.9843 17.9870 18.2736 18.2749 k = 0.0000 0.5728 0.3563 ( 2398 PWs) bands (ev): -11.0384 -11.0384 -10.6307 -10.6306 -8.9755 -8.9755 -8.4246 -8.4246 -6.4490 -6.4488 -6.1125 -6.1124 -2.5102 -2.5097 -1.6450 -1.6449 -0.4398 -0.4393 0.5366 0.5369 1.3062 1.3066 1.3686 1.3700 2.4517 2.4540 2.6833 2.6849 2.7559 2.7580 3.3340 3.3345 4.1527 4.1533 5.0678 5.0690 7.9921 7.9928 8.0187 8.0194 8.3916 8.3917 8.9839 8.9841 9.9607 9.9632 10.0243 10.0261 16.3385 16.3394 17.1751 17.1756 17.6993 17.6998 18.0042 18.0069 18.2896 18.2908 k = 0.0000 0.5728 0.3701 ( 2400 PWs) bands (ev): -10.9893 -10.9893 -10.5832 -10.5832 -9.0491 -9.0491 -8.5138 -8.5137 -6.4424 -6.4421 -6.1209 -6.1208 -2.4842 -2.4836 -1.6592 -1.6591 -0.4002 -0.3997 0.5704 0.5707 1.3847 1.3852 1.4183 1.4196 2.4276 2.4300 2.6912 2.6927 2.7605 2.7626 3.3193 3.3199 4.0955 4.0962 5.0047 5.0059 8.0015 8.0025 8.0243 8.0249 8.4241 8.4243 8.9798 8.9800 9.9525 9.9550 9.9905 9.9925 16.3559 16.3567 17.2011 17.2016 17.6935 17.6939 18.0262 18.0290 18.3067 18.3079 k = 0.0000 0.5728 0.3838 ( 2400 PWs) bands (ev): -10.9387 -10.9386 -10.5350 -10.5349 -9.1221 -9.1221 -8.6021 -8.6021 -6.4342 -6.4340 -6.1298 -6.1297 -2.4579 -2.4574 -1.6791 -1.6790 -0.3566 -0.3562 0.5899 0.5902 1.4617 1.4623 1.4796 1.4809 2.4065 2.4089 2.7005 2.7018 2.7655 2.7675 3.3052 3.3058 4.0384 4.0393 4.9376 4.9389 8.0056 8.0067 8.0286 8.0290 8.4629 8.4633 8.9755 8.9756 9.9424 9.9447 9.9573 9.9595 16.3789 16.3797 17.2291 17.2295 17.6869 17.6874 18.0502 18.0530 18.3243 18.3253 k = 0.0000 0.5728 0.3975 ( 2400 PWs) bands (ev): -10.8867 -10.8867 -10.4863 -10.4863 -9.1938 -9.1938 -8.6895 -8.6894 -6.4247 -6.4245 -6.1392 -6.1391 -2.4312 -2.4307 -1.7036 -1.7036 -0.3100 -0.3096 0.5967 0.5969 1.5360 1.5368 1.5498 1.5510 2.3894 2.3918 2.7110 2.7122 2.7705 2.7725 3.2917 3.2924 3.9820 3.9831 4.8669 4.8682 8.0059 8.0072 8.0315 8.0317 8.5059 8.5066 8.9711 8.9712 9.9247 9.9261 9.9306 9.9339 16.4073 16.4083 17.2566 17.2569 17.6820 17.6825 18.0758 18.0787 18.3418 18.3427 k = 0.0000 0.5728 0.4112 ( 2402 PWs) bands (ev): -10.8334 -10.8334 -10.4378 -10.4378 -9.2637 -9.2637 -8.7756 -8.7755 -6.4141 -6.4139 -6.1491 -6.1490 -2.4040 -2.4035 -1.7319 -1.7318 -0.2611 -0.2607 0.5928 0.5929 1.6068 1.6076 1.6254 1.6265 2.3777 2.3801 2.7224 2.7234 2.7756 2.7775 3.2790 3.2797 3.9274 3.9287 4.7927 4.7941 8.0040 8.0054 8.0331 8.0331 8.5513 8.5522 8.9668 8.9670 9.8938 9.8957 9.9167 9.9196 16.4411 16.4420 17.2800 17.2803 17.6825 17.6831 18.1027 18.1057 18.3586 18.3595 k = 0.0000 0.5728 0.4249 ( 2406 PWs) bands (ev): -10.7790 -10.7790 -10.3901 -10.3901 -9.3308 -9.3308 -8.8603 -8.8602 -6.4025 -6.4023 -6.1596 -6.1595 -2.3762 -2.3756 -1.7631 -1.7630 -0.2105 -0.2101 0.5800 0.5802 1.6728 1.6738 1.7024 1.7034 2.3730 2.3754 2.7343 2.7350 2.7804 2.7823 3.2663 3.2670 3.8763 3.8778 4.7155 4.7168 8.0011 8.0026 8.0332 8.0334 8.5976 8.5986 8.9627 8.9631 9.8645 9.8667 9.9013 9.9042 16.4798 16.4807 17.2948 17.2950 17.6928 17.6934 18.1304 18.1334 18.3742 18.3751 k = 0.0000 0.5728 0.4386 ( 2404 PWs) bands (ev): -10.7236 -10.7236 -10.3442 -10.3442 -9.3941 -9.3940 -8.9434 -8.9433 -6.3901 -6.3899 -6.1706 -6.1705 -2.3476 -2.3471 -1.7965 -1.7963 -0.1587 -0.1583 0.5602 0.5603 1.7334 1.7345 1.7765 1.7775 2.3775 2.3799 2.7462 2.7466 2.7852 2.7870 3.2522 3.2529 3.8313 3.8330 4.6356 4.6369 7.9980 7.9995 8.0321 8.0324 8.6436 8.6447 8.9589 8.9594 9.8376 9.8398 9.8846 9.8874 16.5230 16.5239 17.2972 17.2973 17.7167 17.7173 18.1583 18.1613 18.3884 18.3893 k = 0.0000 0.5728 0.4523 ( 2398 PWs) bands (ev): -10.6674 -10.6674 -10.3016 -10.3015 -9.4518 -9.4517 -9.0245 -9.0245 -6.3769 -6.3767 -6.1821 -6.1820 -2.3182 -2.3177 -1.8315 -1.8312 -0.1062 -0.1059 0.5345 0.5346 1.7877 1.7890 1.8433 1.8443 2.3937 2.3960 2.7574 2.7576 2.7897 2.7915 3.2345 3.2351 3.7958 3.7976 4.5535 4.5549 7.9951 7.9967 8.0298 8.0303 8.6881 8.6893 8.9553 8.9560 9.8134 9.8158 9.8668 9.8696 16.5704 16.5713 17.2855 17.2857 17.7557 17.7563 18.1857 18.1886 18.4010 18.4018 k = 0.0000 0.5728 0.4660 ( 2396 PWs) bands (ev): -10.6107 -10.6106 -10.2644 -10.2644 -9.5017 -9.5017 -9.1036 -9.1035 -6.3632 -6.3630 -6.1942 -6.1941 -2.2880 -2.2875 -1.8675 -1.8673 -0.0534 -0.0530 0.5040 0.5042 1.8354 1.8369 1.8987 1.8998 2.4241 2.4261 2.7673 2.7674 2.7942 2.7958 3.2099 3.2103 3.7737 3.7756 4.4697 4.4712 7.9929 7.9945 8.0266 8.0273 8.7303 8.7317 8.9517 8.9525 9.7925 9.7950 9.8483 9.8511 16.6214 16.6222 17.2611 17.2613 17.8081 17.8086 18.2117 18.2145 18.4116 18.4125 k = 0.0000 0.5728 0.4797 ( 2394 PWs) bands (ev): -10.5537 -10.5537 -10.2355 -10.2355 -9.5410 -9.5410 -9.1800 -9.1800 -6.3491 -6.3489 -6.2068 -6.2066 -2.2569 -2.2564 -1.9043 -1.9040 -0.0005 -0.0002 0.4695 0.4697 1.8763 1.8779 1.9405 1.9417 2.4694 2.4711 2.7752 2.7757 2.7986 2.8002 3.1755 3.1757 3.7685 3.7703 4.3851 4.3865 7.9916 7.9932 8.0227 8.0236 8.7695 8.7709 8.9477 8.9487 9.7753 9.7780 9.8296 9.8325 16.6754 16.6762 17.2265 17.2267 17.8711 17.8716 18.2351 18.2379 18.4205 18.4214 k = 0.0000 0.5728 0.4934 ( 2392 PWs) bands (ev): -10.4971 -10.4970 -10.2181 -10.2181 -9.5662 -9.5662 -9.2534 -9.2533 -6.3346 -6.3345 -6.2198 -6.2197 -2.2249 -2.2244 -1.9414 -1.9411 0.0521 0.0524 0.4316 0.4318 1.9105 1.9122 1.9686 1.9700 2.5278 2.5292 2.7810 2.7818 2.8034 2.8047 3.1299 3.1300 3.7815 3.7834 4.3003 4.3018 7.9912 7.9929 8.0182 8.0192 8.8050 8.8065 8.9429 8.9441 9.7624 9.7652 9.8113 9.8143 16.7319 16.7327 17.1840 17.1843 17.9418 17.9422 18.2546 18.2574 18.4279 18.4288 k = 0.0000 0.5728 0.5071 ( 2394 PWs) bands (ev): -10.4413 -10.4413 -10.2152 -10.2152 -9.5744 -9.5744 -9.3230 -9.3230 -6.3200 -6.3198 -6.2333 -6.2332 -2.1920 -2.1915 -1.9786 -1.9782 0.1041 0.1044 0.3907 0.3909 1.9384 1.9402 1.9851 1.9867 2.5954 2.5963 2.7843 2.7855 2.8091 2.8101 3.0737 3.0742 3.8120 3.8138 4.2163 4.2178 7.9920 7.9936 8.0135 8.0146 8.8363 8.8379 8.9368 8.9381 9.7540 9.7569 9.7941 9.7972 16.7902 16.7909 17.1356 17.1359 18.0172 18.0174 18.2680 18.2706 18.4347 18.4356 k = 0.0000 0.5728 0.5208 ( 2398 PWs) bands (ev): -10.3875 -10.3875 -10.2277 -10.2276 -9.5646 -9.5645 -9.3880 -9.3879 -6.3053 -6.3051 -6.2472 -6.2471 -2.1582 -2.1578 -2.0155 -2.0152 0.1553 0.1556 0.3474 0.3476 1.9602 1.9621 1.9926 1.9943 2.6661 2.6664 2.7847 2.7861 2.8178 2.8183 3.0097 3.0105 3.8575 3.8592 4.1343 4.1358 7.9937 7.9953 8.0087 8.0100 8.8631 8.8648 8.9286 8.9301 9.7503 9.7533 9.7788 9.7819 16.8496 16.8503 17.0828 17.0832 18.0935 18.0936 18.2716 18.2738 18.4428 18.4436 k = 0.0000 0.5728 0.5345 ( 2394 PWs) bands (ev): -10.3370 -10.3370 -10.2541 -10.2541 -9.5381 -9.5380 -9.4469 -9.4468 -6.2905 -6.2903 -6.2614 -6.2613 -2.1236 -2.1232 -2.0521 -2.0517 0.2056 0.2058 0.3019 0.3021 1.9765 1.9784 1.9930 1.9948 2.7289 2.7298 2.7806 2.7823 2.8361 2.8365 2.9418 2.9430 3.9150 3.9167 4.0556 4.0572 7.9964 7.9980 8.0041 8.0055 8.8855 8.8872 8.9178 8.9193 9.7513 9.7543 9.7661 9.7692 16.9094 16.9100 17.0268 17.0273 18.1651 18.1656 18.2590 18.2608 18.4562 18.4569 k = 0.0000 0.5728 0.5482 ( 2396 PWs) bands (ev): -10.2916 -10.2916 -10.2916 -10.2916 -9.4978 -9.4978 -9.4977 -9.4977 -6.2759 -6.2759 -6.2757 -6.2757 -2.0882 -2.0882 -2.0878 -2.0878 0.2545 0.2545 0.2547 0.2547 1.9874 1.9874 1.9893 1.9893 2.7666 2.7666 2.7684 2.7684 2.8782 2.8782 2.8795 2.8795 3.9819 3.9819 3.9835 3.9835 8.0000 8.0000 8.0014 8.0014 8.9036 8.9036 8.9052 8.9052 9.7567 9.7567 9.7598 9.7598 16.9687 16.9687 16.9693 16.9693 18.2233 18.2233 18.2245 18.2245 18.4824 18.4824 k = 0.0000 0.5728 0.5482 ( 2396 PWs) bands (ev): -10.2916 -10.2916 -10.2916 -10.2916 -9.4978 -9.4978 -9.4977 -9.4977 -6.2759 -6.2759 -6.2757 -6.2757 -2.0882 -2.0882 -2.0878 -2.0878 0.2545 0.2545 0.2547 0.2547 1.9874 1.9874 1.9893 1.9893 2.7666 2.7666 2.7684 2.7684 2.8782 2.8782 2.8795 2.8795 3.9819 3.9819 3.9835 3.9835 8.0000 8.0000 8.0014 8.0014 8.9036 8.9036 8.9052 8.9052 9.7567 9.7567 9.7598 9.7598 16.9687 16.9687 16.9693 16.9693 18.2233 18.2233 18.2245 18.2245 18.4824 18.4824 k = 0.0134 0.5728 0.5482 ( 2394 PWs) bands (ev): -10.2908 -10.2908 -10.2908 -10.2908 -9.4984 -9.4984 -9.4983 -9.4983 -6.2773 -6.2773 -6.2772 -6.2772 -2.0848 -2.0848 -2.0844 -2.0844 0.2517 0.2517 0.2520 0.2520 1.9872 1.9872 1.9891 1.9891 2.7596 2.7597 2.7616 2.7616 2.8862 2.8863 2.8878 2.8878 3.9817 3.9817 3.9833 3.9833 8.0008 8.0008 8.0022 8.0022 8.9036 8.9036 8.9052 8.9052 9.7561 9.7561 9.7591 9.7591 16.9684 16.9684 16.9690 16.9690 18.2103 18.2103 18.2120 18.2121 18.4935 18.4936 k = 0.0269 0.5728 0.5482 ( 2392 PWs) bands (ev): -10.2884 -10.2884 -10.2884 -10.2884 -9.5002 -9.5002 -9.5001 -9.5001 -6.2817 -6.2817 -6.2815 -6.2815 -2.0745 -2.0745 -2.0741 -2.0741 0.2435 0.2435 0.2438 0.2438 1.9864 1.9864 1.9883 1.9883 2.7432 2.7432 2.7454 2.7454 2.9063 2.9063 2.9081 2.9082 3.9811 3.9811 3.9827 3.9827 8.0033 8.0033 8.0047 8.0047 8.9034 8.9034 8.9050 8.9050 9.7542 9.7542 9.7572 9.7572 16.9675 16.9675 16.9681 16.9682 18.1772 18.1773 18.1796 18.1797 18.5224 18.5224 k = 0.0403 0.5728 0.5482 ( 2394 PWs) bands (ev): -10.2844 -10.2844 -10.2844 -10.2844 -9.5032 -9.5032 -9.5031 -9.5031 -6.2888 -6.2888 -6.2886 -6.2886 -2.0576 -2.0576 -2.0572 -2.0572 0.2298 0.2298 0.2302 0.2302 1.9849 1.9849 1.9868 1.9868 2.7234 2.7234 2.7257 2.7257 2.9326 2.9326 2.9345 2.9345 3.9802 3.9802 3.9818 3.9818 8.0073 8.0073 8.0088 8.0088 8.9031 8.9031 8.9048 8.9048 9.7510 9.7510 9.7540 9.7540 16.9660 16.9661 16.9667 16.9667 18.1332 18.1333 18.1361 18.1361 18.5600 18.5600 k = 0.0538 0.5728 0.5482 ( 2388 PWs) bands (ev): -10.2789 -10.2789 -10.2788 -10.2788 -9.5074 -9.5073 -9.5073 -9.5073 -6.2986 -6.2986 -6.2984 -6.2984 -2.0342 -2.0341 -2.0337 -2.0337 0.2110 0.2110 0.2114 0.2114 1.9825 1.9825 1.9843 1.9843 2.7035 2.7035 2.7058 2.7059 2.9618 2.9618 2.9638 2.9639 3.9789 3.9789 3.9805 3.9805 8.0128 8.0128 8.0143 8.0143 8.9029 8.9029 8.9045 8.9045 9.7466 9.7466 9.7496 9.7496 16.9640 16.9640 16.9648 16.9648 18.0841 18.0841 18.0872 18.0872 18.6001 18.6001 k = 0.0672 0.5728 0.5482 ( 2394 PWs) bands (ev): -10.2718 -10.2717 -10.2717 -10.2717 -9.5127 -9.5127 -9.5127 -9.5127 -6.3108 -6.3108 -6.3107 -6.3106 -2.0044 -2.0044 -2.0039 -2.0039 0.1871 0.1871 0.1876 0.1876 1.9787 1.9787 1.9805 1.9805 2.6851 2.6851 2.6874 2.6875 2.9926 2.9927 2.9947 2.9947 3.9772 3.9772 3.9789 3.9789 8.0195 8.0195 8.0210 8.0210 8.9027 8.9027 8.9044 8.9044 9.7408 9.7408 9.7439 9.7439 16.9615 16.9615 16.9623 16.9624 18.0328 18.0328 18.0360 18.0360 18.6390 18.6391 k = 0.0806 0.5728 0.5482 ( 2396 PWs) bands (ev): -10.2631 -10.2631 -10.2631 -10.2631 -9.5193 -9.5193 -9.5192 -9.5192 -6.3253 -6.3253 -6.3251 -6.3251 -1.9686 -1.9686 -1.9681 -1.9681 0.1586 0.1586 0.1592 0.1592 1.9732 1.9732 1.9750 1.9750 2.6690 2.6691 2.6714 2.6714 3.0243 3.0243 3.0263 3.0263 3.9752 3.9752 3.9768 3.9768 8.0273 8.0273 8.0289 8.0289 8.9028 8.9028 8.9045 8.9045 9.7338 9.7338 9.7369 9.7369 16.9586 16.9586 16.9595 16.9595 17.9811 17.9811 17.9843 17.9844 18.6746 18.6746 k = 0.0941 0.5728 0.5482 ( 2396 PWs) bands (ev): -10.2530 -10.2529 -10.2529 -10.2529 -9.5270 -9.5270 -9.5270 -9.5270 -6.3417 -6.3417 -6.3416 -6.3416 -1.9272 -1.9272 -1.9267 -1.9266 0.1256 0.1257 0.1263 0.1263 1.9658 1.9658 1.9676 1.9676 2.6559 2.6559 2.6582 2.6582 3.0563 3.0563 3.0583 3.0584 3.9728 3.9728 3.9745 3.9745 8.0359 8.0359 8.0375 8.0375 8.9033 8.9033 8.9050 8.9050 9.7256 9.7256 9.7287 9.7287 16.9553 16.9553 16.9563 16.9563 17.9299 17.9299 17.9332 17.9333 18.7050 18.7050 k = 0.1075 0.5728 0.5482 ( 2394 PWs) bands (ev): -10.2414 -10.2414 -10.2413 -10.2413 -9.5359 -9.5359 -9.5358 -9.5358 -6.3598 -6.3598 -6.3597 -6.3597 -1.8804 -1.8804 -1.8799 -1.8799 0.0886 0.0887 0.0894 0.0894 1.9561 1.9562 1.9579 1.9579 2.6460 2.6460 2.6482 2.6482 3.0885 3.0885 3.0905 3.0905 3.9701 3.9701 3.9718 3.9718 8.0450 8.0450 8.0466 8.0466 8.9044 8.9044 8.9062 8.9062 9.7162 9.7162 9.7192 9.7192 16.9518 16.9518 16.9529 16.9529 17.8799 17.8800 17.8833 17.8834 18.7290 18.7290 k = 0.1210 0.5728 0.5482 ( 2402 PWs) bands (ev): -10.2284 -10.2284 -10.2284 -10.2284 -9.5459 -9.5459 -9.5458 -9.5458 -6.3793 -6.3793 -6.3791 -6.3791 -1.8288 -1.8288 -1.8282 -1.8282 0.0479 0.0479 0.0487 0.0487 1.9442 1.9442 1.9458 1.9459 2.6394 2.6394 2.6415 2.6416 3.1205 3.1205 3.1225 3.1225 3.9670 3.9670 3.9687 3.9687 8.0541 8.0541 8.0558 8.0558 8.9063 8.9063 8.9081 8.9082 9.7055 9.7055 9.7085 9.7085 16.9482 16.9482 16.9493 16.9494 17.8316 17.8317 17.8350 17.8351 18.7458 18.7458 k = 0.1344 0.5728 0.5482 ( 2398 PWs) bands (ev): -10.2142 -10.2142 -10.2141 -10.2141 -9.5569 -9.5569 -9.5568 -9.5568 -6.3998 -6.3998 -6.3997 -6.3996 -1.7728 -1.7728 -1.7722 -1.7721 0.0038 0.0038 0.0046 0.0047 1.9300 1.9300 1.9315 1.9315 2.6361 2.6361 2.6382 2.6382 3.1523 3.1523 3.1542 3.1543 3.9636 3.9636 3.9653 3.9653 8.0631 8.0631 8.0648 8.0648 8.9094 8.9094 8.9112 8.9112 9.6936 9.6936 9.6967 9.6967 16.9447 16.9447 16.9459 16.9459 17.7853 17.7853 17.7887 17.7887 18.7552 18.7552 k = 0.1479 0.5728 0.5482 ( 2394 PWs) bands (ev): -10.1988 -10.1987 -10.1987 -10.1987 -9.5689 -9.5688 -9.5688 -9.5688 -6.4210 -6.4210 -6.4209 -6.4209 -1.7128 -1.7128 -1.7121 -1.7121 -0.0434 -0.0434 -0.0425 -0.0424 1.9136 1.9136 1.9151 1.9151 2.6359 2.6359 2.6379 2.6379 3.1836 3.1836 3.1855 3.1856 3.9599 3.9600 3.9616 3.9616 8.0714 8.0714 8.0732 8.0732 8.9137 8.9137 8.9156 8.9156 9.6807 9.6807 9.6837 9.6837 16.9414 16.9415 16.9427 16.9427 17.7411 17.7411 17.7444 17.7445 18.7578 18.7578 k = 0.1613 0.5728 0.5482 ( 2398 PWs) bands (ev): -10.1823 -10.1823 -10.1823 -10.1823 -9.5817 -9.5816 -9.5816 -9.5816 -6.4427 -6.4427 -6.4426 -6.4425 -1.6494 -1.6494 -1.6487 -1.6487 -0.0932 -0.0932 -0.0923 -0.0923 1.8955 1.8955 1.8969 1.8969 2.6384 2.6385 2.6403 2.6403 3.2143 3.2143 3.2163 3.2163 3.9560 3.9560 3.9577 3.9577 8.0787 8.0787 8.0805 8.0805 8.9196 8.9196 8.9216 8.9216 9.6666 9.6666 9.6696 9.6696 16.9387 16.9387 16.9400 16.9400 17.6990 17.6991 17.7023 17.7024 18.7543 18.7543 k = 0.1747 0.5728 0.5482 ( 2400 PWs) bands (ev): -10.1650 -10.1650 -10.1650 -10.1650 -9.5951 -9.5951 -9.5951 -9.5950 -6.4644 -6.4644 -6.4643 -6.4643 -1.5832 -1.5832 -1.5825 -1.5825 -0.1454 -0.1454 -0.1444 -0.1444 1.8760 1.8760 1.8773 1.8773 2.6434 2.6434 2.6451 2.6452 3.2443 3.2444 3.2462 3.2463 3.9518 3.9518 3.9535 3.9535 8.0846 8.0846 8.0864 8.0864 8.9274 8.9274 8.9294 8.9294 9.6515 9.6515 9.6545 9.6545 16.9366 16.9366 16.9379 16.9379 17.6592 17.6592 17.6624 17.6624 18.7460 18.7460 k = 0.1882 0.5728 0.5482 ( 2400 PWs) bands (ev): -10.1472 -10.1472 -10.1472 -10.1472 -9.6090 -9.6089 -9.6089 -9.6089 -6.4860 -6.4860 -6.4859 -6.4859 -1.5148 -1.5148 -1.5140 -1.5140 -0.1996 -0.1996 -0.1985 -0.1985 1.8555 1.8555 1.8567 1.8567 2.6502 2.6502 2.6519 2.6520 3.2734 3.2735 3.2753 3.2753 3.9475 3.9475 3.9492 3.9492 8.0887 8.0887 8.0905 8.0905 8.9372 8.9372 8.9392 8.9392 9.6355 9.6355 9.6384 9.6384 16.9354 16.9354 16.9368 16.9368 17.6214 17.6214 17.6246 17.6246 18.7341 18.7341 k = 0.2016 0.5728 0.5482 ( 2404 PWs) bands (ev): -10.1292 -10.1291 -10.1291 -10.1291 -9.6229 -9.6229 -9.6228 -9.6228 -6.5072 -6.5072 -6.5071 -6.5070 -1.4448 -1.4448 -1.4440 -1.4440 -0.2553 -0.2553 -0.2542 -0.2542 1.8347 1.8347 1.8358 1.8358 2.6586 2.6586 2.6603 2.6603 3.3014 3.3015 3.3033 3.3033 3.9431 3.9431 3.9448 3.9448 8.0907 8.0907 8.0925 8.0925 8.9491 8.9491 8.9512 8.9512 9.6186 9.6187 9.6216 9.6216 16.9354 16.9354 16.9367 16.9368 17.5857 17.5857 17.5888 17.5888 18.7197 18.7198 k = 0.2151 0.5728 0.5482 ( 2404 PWs) bands (ev): -10.1114 -10.1114 -10.1114 -10.1113 -9.6364 -9.6363 -9.6363 -9.6363 -6.5276 -6.5276 -6.5275 -6.5275 -1.3741 -1.3741 -1.3732 -1.3732 -0.3120 -0.3120 -0.3109 -0.3109 1.8139 1.8139 1.8149 1.8149 2.6681 2.6681 2.6697 2.6697 3.3281 3.3282 3.3300 3.3300 3.9388 3.9388 3.9405 3.9405 8.0905 8.0905 8.0923 8.0923 8.9633 8.9633 8.9654 8.9654 9.6011 9.6011 9.6040 9.6040 16.9367 16.9368 16.9381 16.9381 17.5518 17.5519 17.5549 17.5549 18.7040 18.7041 k = 0.2285 0.5728 0.5482 ( 2410 PWs) bands (ev): -10.0946 -10.0945 -10.0945 -10.0945 -9.6488 -9.6487 -9.6487 -9.6487 -6.5472 -6.5471 -6.5471 -6.5470 -1.3035 -1.3035 -1.3026 -1.3026 -0.3692 -0.3692 -0.3680 -0.3680 1.7937 1.7937 1.7947 1.7947 2.6783 2.6784 2.6799 2.6800 3.3533 3.3533 3.3551 3.3551 3.9346 3.9347 3.9364 3.9364 8.0878 8.0878 8.0896 8.0896 8.9796 8.9796 8.9817 8.9817 9.5830 9.5830 9.5858 9.5858 16.9396 16.9396 16.9409 16.9410 17.5197 17.5197 17.5227 17.5227 18.6878 18.6879 k = 0.2419 0.5728 0.5482 ( 2412 PWs) bands (ev): -10.0795 -10.0795 -10.0795 -10.0795 -9.6592 -9.6592 -9.6592 -9.6591 -6.5656 -6.5656 -6.5655 -6.5655 -1.2344 -1.2344 -1.2334 -1.2334 -0.4260 -0.4260 -0.4247 -0.4247 1.7747 1.7747 1.7757 1.7757 2.6890 2.6890 2.6906 2.6906 3.3765 3.3765 3.3783 3.3783 3.9310 3.9310 3.9327 3.9327 8.0827 8.0828 8.0845 8.0845 8.9978 8.9978 9.0000 9.0000 9.5647 9.5647 9.5674 9.5674 16.9441 16.9441 16.9454 16.9454 17.4893 17.4893 17.4922 17.4922 18.6720 18.6720 k = 0.2554 0.5728 0.5482 ( 2402 PWs) bands (ev): -10.0673 -10.0673 -10.0673 -10.0673 -9.6666 -9.6666 -9.6666 -9.6665 -6.5827 -6.5827 -6.5827 -6.5826 -1.1684 -1.1684 -1.1673 -1.1673 -0.4810 -0.4810 -0.4797 -0.4797 1.7574 1.7574 1.7583 1.7583 2.6998 2.6998 2.7013 2.7014 3.3975 3.3975 3.3993 3.3993 3.9280 3.9280 3.9297 3.9297 8.0753 8.0754 8.0771 8.0771 9.0178 9.0178 9.0199 9.0199 9.5463 9.5463 9.5489 9.5489 16.9503 16.9503 16.9515 16.9516 17.4605 17.4605 17.4633 17.4633 18.6571 18.6572 k = 0.2688 0.5728 0.5482 ( 2408 PWs) bands (ev): -10.0592 -10.0592 -10.0592 -10.0591 -9.6697 -9.6697 -9.6697 -9.6697 -6.5984 -6.5984 -6.5984 -6.5984 -1.1081 -1.1081 -1.1070 -1.1069 -0.5320 -0.5320 -0.5307 -0.5307 1.7421 1.7421 1.7430 1.7430 2.7104 2.7104 2.7120 2.7120 3.4158 3.4158 3.4175 3.4176 3.9261 3.9261 3.9277 3.9277 8.0657 8.0657 8.0674 8.0674 9.0390 9.0390 9.0410 9.0410 9.5282 9.5282 9.5307 9.5307 16.9580 16.9580 16.9592 16.9593 17.4334 17.4334 17.4361 17.4361 18.6437 18.6439 k = 0.2823 0.5728 0.5482 ( 2406 PWs) bands (ev): -10.0563 -10.0562 -10.0562 -10.0562 -9.6674 -9.6674 -9.6674 -9.6673 -6.6126 -6.6126 -6.6126 -6.6126 -1.0577 -1.0577 -1.0566 -1.0566 -0.5753 -0.5753 -0.5740 -0.5740 1.7296 1.7296 1.7304 1.7304 2.7207 2.7207 2.7223 2.7224 3.4309 3.4310 3.4326 3.4327 3.9255 3.9255 3.9272 3.9272 8.0541 8.0541 8.0557 8.0557 9.0607 9.0607 9.0626 9.0626 9.5111 9.5111 9.5133 9.5133 16.9671 16.9672 16.9683 16.9683 17.4082 17.4083 17.4109 17.4109 18.6322 18.6323 k = 0.2957 0.5728 0.5482 ( 2410 PWs) bands (ev): -10.0593 -10.0593 -10.0593 -10.0592 -9.6589 -9.6588 -9.6588 -9.6588 -6.6252 -6.6251 -6.6251 -6.6251 -1.0238 -1.0238 -1.0227 -1.0227 -0.6047 -0.6047 -0.6035 -0.6035 1.7201 1.7201 1.7209 1.7209 2.7305 2.7306 2.7322 2.7322 3.4424 3.4424 3.4441 3.4441 3.9268 3.9268 3.9284 3.9284 8.0407 8.0407 8.0423 8.0423 9.0821 9.0821 9.0838 9.0838 9.4954 9.4955 9.4974 9.4975 16.9773 16.9773 16.9784 16.9784 17.3853 17.3853 17.3879 17.3879 18.6230 18.6232 k = 0.3092 0.5728 0.5482 ( 2408 PWs) bands (ev): -10.0686 -10.0685 -10.0685 -10.0685 -9.6437 -9.6437 -9.6437 -9.6436 -6.6360 -6.6360 -6.6360 -6.6359 -1.0134 -1.0134 -1.0126 -1.0126 -0.6135 -0.6135 -0.6125 -0.6125 1.7142 1.7142 1.7150 1.7150 2.7397 2.7397 2.7415 2.7415 3.4497 3.4498 3.4514 3.4515 3.9302 3.9302 3.9318 3.9318 8.0259 8.0259 8.0275 8.0275 9.1022 9.1022 9.1035 9.1035 9.4823 9.4823 9.4840 9.4841 16.9878 16.9878 16.9888 16.9889 17.3653 17.3653 17.3678 17.3678 18.6162 18.6164 k = 0.3226 0.5728 0.5482 ( 2408 PWs) bands (ev): -10.0836 -10.0836 -10.0836 -10.0835 -9.6224 -9.6223 -9.6223 -9.6223 -6.6451 -6.6451 -6.6450 -6.6450 -1.0293 -1.0293 -1.0288 -1.0287 -0.5997 -0.5996 -0.5989 -0.5989 1.7123 1.7123 1.7131 1.7131 2.7482 2.7482 2.7500 2.7500 3.4525 3.4525 3.4543 3.4543 3.9360 3.9361 3.9376 3.9376 8.0101 8.0101 8.0116 8.0116 9.1194 9.1194 9.1204 9.1204 9.4729 9.4729 9.4743 9.4743 16.9978 16.9979 16.9988 16.9989 17.3490 17.3490 17.3514 17.3515 18.6122 18.6123 k = 0.3360 0.5728 0.5482 ( 2410 PWs) bands (ev): -10.1038 -10.1038 -10.1038 -10.1037 -9.5954 -9.5954 -9.5953 -9.5953 -6.6523 -6.6523 -6.6523 -6.6523 -1.0664 -1.0663 -1.0660 -1.0659 -0.5687 -0.5687 -0.5681 -0.5681 1.7147 1.7147 1.7155 1.7155 2.7558 2.7559 2.7577 2.7577 3.4505 3.4505 3.4523 3.4523 3.9445 3.9446 3.9461 3.9461 7.9935 7.9935 7.9951 7.9951 9.1321 9.1321 9.1330 9.1330 9.4683 9.4683 9.4696 9.4696 17.0063 17.0063 17.0072 17.0073 17.3375 17.3376 17.3399 17.3399 18.6106 18.6107 k = 0.3360 0.5728 0.5482 ( 2410 PWs) bands (ev): -10.1038 -10.1038 -10.1038 -10.1037 -9.5954 -9.5954 -9.5953 -9.5953 -6.6523 -6.6523 -6.6523 -6.6523 -1.0664 -1.0663 -1.0660 -1.0659 -0.5687 -0.5687 -0.5681 -0.5681 1.7147 1.7147 1.7155 1.7155 2.7558 2.7559 2.7577 2.7577 3.4505 3.4505 3.4523 3.4523 3.9445 3.9446 3.9461 3.9461 7.9935 7.9935 7.9951 7.9951 9.1321 9.1321 9.1330 9.1330 9.4683 9.4683 9.4696 9.4696 17.0063 17.0063 17.0072 17.0073 17.3375 17.3376 17.3399 17.3399 18.6106 18.6107 k = 0.3290 0.5609 0.5482 ( 2406 PWs) bands (ev): -10.0572 -10.0571 -10.0571 -10.0571 -9.6557 -9.6557 -9.6557 -9.6556 -6.6387 -6.6387 -6.6387 -6.6387 -0.9755 -0.9755 -0.9751 -0.9751 -0.6443 -0.6442 -0.6436 -0.6436 1.7066 1.7067 1.7074 1.7074 2.7398 2.7398 2.7415 2.7415 3.4597 3.4597 3.4614 3.4614 3.9248 3.9248 3.9263 3.9263 8.0269 8.0269 8.0284 8.0284 9.1125 9.1125 9.1133 9.1133 9.4716 9.4716 9.4729 9.4729 16.9916 16.9916 16.9926 16.9926 17.3562 17.3562 17.3586 17.3587 18.6133 18.6134 k = 0.3220 0.5489 0.5482 ( 2406 PWs) bands (ev): -10.0086 -10.0086 -10.0086 -10.0085 -9.7166 -9.7165 -9.7165 -9.7165 -6.6238 -6.6238 -6.6238 -6.6238 -0.8870 -0.8869 -0.8866 -0.8865 -0.7213 -0.7213 -0.7207 -0.7206 1.7017 1.7017 1.7025 1.7025 2.7210 2.7210 2.7226 2.7226 3.4693 3.4693 3.4708 3.4708 3.9056 3.9056 3.9072 3.9072 8.0583 8.0583 8.0598 8.0598 9.0942 9.0942 9.0950 9.0950 9.4748 9.4748 9.4761 9.4761 16.9773 16.9773 16.9782 16.9783 17.3764 17.3764 17.3790 17.3790 18.6203 18.6204 k = 0.3150 0.5370 0.5482 ( 2410 PWs) bands (ev): -9.9583 -9.9583 -9.9583 -9.9582 -9.7777 -9.7777 -9.7776 -9.7776 -6.6077 -6.6077 -6.6077 -6.6077 -0.8017 -0.8017 -0.8010 -0.8010 -0.7992 -0.7992 -0.7989 -0.7989 1.7000 1.7000 1.7009 1.7009 2.6993 2.6993 2.7007 2.7007 3.4793 3.4794 3.4807 3.4808 3.8873 3.8873 3.8888 3.8889 8.0875 8.0875 8.0889 8.0889 9.0774 9.0774 9.0783 9.0783 9.4780 9.4781 9.4793 9.4793 16.9637 16.9638 16.9647 16.9647 17.3975 17.3976 17.4003 17.4003 18.6315 18.6315 k = 0.3080 0.5251 0.5482 ( 2412 PWs) bands (ev): -9.9062 -9.9062 -9.9061 -9.9061 -9.8390 -9.8390 -9.8389 -9.8389 -6.5906 -6.5906 -6.5905 -6.5905 -0.8794 -0.8794 -0.8788 -0.8788 -0.7189 -0.7189 -0.7185 -0.7184 1.7020 1.7020 1.7028 1.7028 2.6745 2.6745 2.6758 2.6758 3.4900 3.4901 3.4913 3.4913 3.8701 3.8701 3.8716 3.8716 8.1141 8.1142 8.1155 8.1155 9.0624 9.0624 9.0632 9.0632 9.4816 9.4817 9.4829 9.4829 16.9514 16.9514 16.9523 16.9523 17.4190 17.4191 17.4219 17.4220 18.6464 18.6465 k = 0.3010 0.5131 0.5482 ( 2404 PWs) bands (ev): -9.9003 -9.9003 -9.9002 -9.9002 -9.8523 -9.8523 -9.8522 -9.8522 -6.5724 -6.5724 -6.5723 -6.5723 -0.9604 -0.9604 -0.9598 -0.9598 -0.6403 -0.6403 -0.6399 -0.6398 1.7076 1.7076 1.7085 1.7085 2.6466 2.6466 2.6477 2.6477 3.5015 3.5015 3.5026 3.5026 3.8541 3.8541 3.8556 3.8556 8.1379 8.1379 8.1391 8.1391 9.0493 9.0493 9.0501 9.0501 9.4858 9.4858 9.4870 9.4871 16.9406 16.9407 16.9415 16.9416 17.4402 17.4403 17.4433 17.4433 18.6647 18.6648 k = 0.2940 0.5012 0.5482 ( 2408 PWs) bands (ev): -9.9615 -9.9614 -9.9614 -9.9614 -9.7966 -9.7966 -9.7966 -9.7965 -6.5533 -6.5533 -6.5532 -6.5532 -1.0426 -1.0426 -1.0420 -1.0420 -0.5658 -0.5658 -0.5654 -0.5654 1.7171 1.7171 1.7179 1.7179 2.6154 2.6155 2.6164 2.6165 3.5138 3.5138 3.5147 3.5147 3.8396 3.8397 3.8411 3.8411 8.1585 8.1585 8.1596 8.1596 9.0381 9.0381 9.0388 9.0389 9.4908 9.4908 9.4920 9.4920 16.9318 16.9319 16.9327 16.9327 17.4603 17.4603 17.4635 17.4635 18.6859 18.6860 k = 0.2870 0.4893 0.5482 ( 2412 PWs) bands (ev): -10.0224 -10.0223 -10.0223 -10.0223 -9.7392 -9.7392 -9.7392 -9.7391 -6.5333 -6.5333 -6.5332 -6.5332 -1.1260 -1.1260 -1.1254 -1.1254 -0.4959 -0.4959 -0.4955 -0.4954 1.7302 1.7302 1.7310 1.7310 2.5812 2.5812 2.5820 2.5821 3.5269 3.5269 3.5277 3.5277 3.8269 3.8269 3.8283 3.8283 8.1756 8.1756 8.1766 8.1766 9.0289 9.0289 9.0297 9.0297 9.4968 9.4969 9.4979 9.4980 16.9253 16.9253 16.9261 16.9262 17.4786 17.4786 17.4819 17.4819 18.7097 18.7098 k = 0.2800 0.4773 0.5482 ( 2412 PWs) bands (ev): -10.0829 -10.0829 -10.0828 -10.0828 -9.6801 -9.6801 -9.6801 -9.6800 -6.5125 -6.5125 -6.5125 -6.5125 -1.2104 -1.2104 -1.2099 -1.2099 -0.4306 -0.4306 -0.4302 -0.4302 1.7469 1.7469 1.7477 1.7477 2.5438 2.5438 2.5445 2.5446 3.5409 3.5410 3.5416 3.5417 3.8163 3.8163 3.8176 3.8176 8.1890 8.1890 8.1899 8.1899 9.0219 9.0219 9.0227 9.0227 9.5042 9.5042 9.5052 9.5053 16.9212 16.9213 16.9221 16.9221 17.4944 17.4945 17.4978 17.4979 18.7356 18.7357 k = 0.2730 0.4654 0.5482 ( 2408 PWs) bands (ev): -10.1429 -10.1429 -10.1428 -10.1428 -9.6194 -9.6193 -9.6193 -9.6192 -6.4911 -6.4911 -6.4910 -6.4910 -1.2960 -1.2960 -1.2954 -1.2954 -0.3702 -0.3702 -0.3698 -0.3698 1.7669 1.7669 1.7677 1.7677 2.5035 2.5035 2.5041 2.5041 3.5558 3.5559 3.5564 3.5565 3.8079 3.8079 3.8091 3.8091 8.1987 8.1987 8.1994 8.1994 9.0171 9.0171 9.0178 9.0179 9.5131 9.5131 9.5141 9.5141 16.9200 16.9201 16.9208 16.9208 17.5072 17.5073 17.5107 17.5108 18.7634 18.7635 k = 0.2660 0.4535 0.5482 ( 2408 PWs) bands (ev): -10.2023 -10.2023 -10.2023 -10.2022 -9.5569 -9.5569 -9.5568 -9.5568 -6.4690 -6.4690 -6.4690 -6.4690 -1.3826 -1.3826 -1.3820 -1.3820 -0.3146 -0.3146 -0.3142 -0.3142 1.7898 1.7898 1.7905 1.7906 2.4603 2.4603 2.4608 2.4609 3.5716 3.5717 3.5721 3.5721 3.8021 3.8021 3.8032 3.8032 8.2045 8.2045 8.2051 8.2051 9.0145 9.0145 9.0152 9.0152 9.5237 9.5237 9.5246 9.5246 16.9217 16.9218 16.9224 16.9225 17.5164 17.5165 17.5200 17.5201 18.7924 18.7925 k = 0.2590 0.4415 0.5482 ( 2404 PWs) bands (ev): -10.2610 -10.2610 -10.2610 -10.2609 -9.4928 -9.4928 -9.4928 -9.4927 -6.4465 -6.4464 -6.4464 -6.4464 -1.4702 -1.4702 -1.4696 -1.4696 -0.2638 -0.2638 -0.2634 -0.2633 1.8149 1.8150 1.8157 1.8157 2.4145 2.4145 2.4150 2.4150 3.5882 3.5883 3.5886 3.5887 3.7991 3.7991 3.8002 3.8002 8.2065 8.2065 8.2070 8.2070 9.0141 9.0141 9.0148 9.0148 9.5361 9.5361 9.5369 9.5369 16.9265 16.9265 16.9272 16.9272 17.5217 17.5218 17.5254 17.5254 18.8224 18.8225 k = 0.2520 0.4296 0.5482 ( 2402 PWs) bands (ev): -10.3190 -10.3189 -10.3189 -10.3189 -9.4272 -9.4271 -9.4271 -9.4270 -6.4234 -6.4234 -6.4234 -6.4234 -1.5588 -1.5587 -1.5582 -1.5582 -0.2175 -0.2175 -0.2171 -0.2170 1.8418 1.8418 1.8425 1.8425 2.3663 2.3664 2.3667 2.3667 3.6056 3.6057 3.6059 3.6060 3.7992 3.7992 3.8002 3.8002 8.2049 8.2049 8.2052 8.2052 9.0159 9.0159 9.0165 9.0165 9.5503 9.5504 9.5511 9.5511 16.9344 16.9344 16.9350 16.9351 17.5229 17.5229 17.5265 17.5266 18.8529 18.8529 k = 0.2450 0.4177 0.5482 ( 2406 PWs) bands (ev): -10.3760 -10.3760 -10.3760 -10.3759 -9.3599 -9.3599 -9.3598 -9.3598 -6.4001 -6.4001 -6.4000 -6.4000 -1.6483 -1.6483 -1.6477 -1.6477 -0.1754 -0.1754 -0.1750 -0.1750 1.8696 1.8696 1.8703 1.8703 2.3160 2.3160 2.3163 2.3163 3.6237 3.6238 3.6239 3.6240 3.8026 3.8026 3.8035 3.8035 8.1998 8.1998 8.1999 8.1999 9.0198 9.0198 9.0204 9.0204 9.5665 9.5665 9.5671 9.5672 16.9455 16.9455 16.9461 16.9461 17.5198 17.5199 17.5234 17.5235 18.8835 18.8835 k = 0.2380 0.4057 0.5482 ( 2406 PWs) bands (ev): -10.4321 -10.4321 -10.4321 -10.4320 -9.2912 -9.2911 -9.2911 -9.2910 -6.3764 -6.3764 -6.3764 -6.3764 -1.7387 -1.7387 -1.7382 -1.7382 -0.1372 -0.1372 -0.1368 -0.1368 1.8976 1.8976 1.8982 1.8982 2.2637 2.2638 2.2640 2.2640 3.6425 3.6425 3.6426 3.6427 3.8095 3.8095 3.8102 3.8102 8.1916 8.1916 8.1917 8.1917 9.0258 9.0258 9.0264 9.0264 9.5844 9.5844 9.5850 9.5850 16.9598 16.9598 16.9603 16.9604 17.5126 17.5126 17.5162 17.5163 18.9138 18.9139 k = 0.2310 0.3938 0.5482 ( 2406 PWs) bands (ev): -10.4872 -10.4871 -10.4871 -10.4871 -9.2209 -9.2209 -9.2208 -9.2208 -6.3526 -6.3526 -6.3526 -6.3526 -1.8300 -1.8300 -1.8295 -1.8295 -0.1025 -0.1025 -0.1021 -0.1021 1.9250 1.9250 1.9255 1.9256 2.2098 2.2099 2.2100 2.2101 3.6618 3.6618 3.6619 3.6619 3.8200 3.8200 3.8206 3.8206 8.1807 8.1807 8.1809 8.1809 9.0337 9.0338 9.0343 9.0343 9.6039 9.6040 9.6045 9.6045 16.9772 16.9773 16.9777 16.9778 17.5014 17.5015 17.5050 17.5050 18.9436 18.9436 k = 0.2240 0.3819 0.5482 ( 2410 PWs) bands (ev): -10.5411 -10.5411 -10.5411 -10.5411 -9.1492 -9.1492 -9.1491 -9.1491 -6.3286 -6.3286 -6.3286 -6.3286 -1.9222 -1.9222 -1.9217 -1.9217 -0.0709 -0.0708 -0.0704 -0.0704 1.9511 1.9511 1.9515 1.9516 2.1545 2.1546 2.1547 2.1547 3.6816 3.6816 3.6816 3.6816 3.8340 3.8340 3.8345 3.8345 8.1675 8.1675 8.1679 8.1679 9.0436 9.0436 9.0442 9.0442 9.6250 9.6250 9.6255 9.6255 16.9977 16.9978 16.9982 16.9982 17.4866 17.4867 17.4901 17.4902 18.9724 18.9724 k = 0.2170 0.3699 0.5482 ( 2404 PWs) bands (ev): -10.5939 -10.5939 -10.5939 -10.5938 -9.0762 -9.0761 -9.0761 -9.0760 -6.3046 -6.3046 -6.3046 -6.3046 -2.0152 -2.0152 -2.0147 -2.0146 -0.0418 -0.0418 -0.0413 -0.0413 1.9753 1.9753 1.9756 1.9756 2.0982 2.0982 2.0983 2.0983 3.7018 3.7018 3.7018 3.7018 3.8516 3.8516 3.8519 3.8519 8.1528 8.1528 8.1533 8.1533 9.0553 9.0553 9.0558 9.0558 9.6474 9.6475 9.6479 9.6479 17.0213 17.0213 17.0217 17.0217 17.4685 17.4686 17.4719 17.4720 18.9998 18.9999 k = 0.2100 0.3580 0.5482 ( 2400 PWs) bands (ev): -10.6455 -10.6455 -10.6454 -10.6454 -9.0017 -9.0017 -9.0016 -9.0016 -6.2807 -6.2807 -6.2807 -6.2806 -2.1089 -2.1089 -2.1084 -2.1084 -0.0149 -0.0148 -0.0144 -0.0144 1.9968 1.9969 1.9971 1.9971 2.0410 2.0411 2.0411 2.0412 3.7223 3.7223 3.7223 3.7224 3.8725 3.8725 3.8727 3.8727 8.1369 8.1369 8.1376 8.1376 9.0687 9.0687 9.0692 9.0692 9.6710 9.6710 9.6713 9.6713 17.0476 17.0477 17.0480 17.0480 17.4476 17.4477 17.4509 17.4510 19.0257 19.0257 k = 0.2030 0.3461 0.5482 ( 2402 PWs) bands (ev): -10.6958 -10.6958 -10.6957 -10.6957 -8.9260 -8.9260 -8.9259 -8.9259 -6.2568 -6.2568 -6.2568 -6.2568 -2.2034 -2.2034 -2.2029 -2.2029 0.0103 0.0103 0.0108 0.0108 1.9833 1.9833 1.9833 1.9833 2.0156 2.0156 2.0156 2.0157 3.7430 3.7431 3.7431 3.7431 3.8964 3.8965 3.8965 3.8965 8.1206 8.1206 8.1214 8.1214 9.0836 9.0836 9.0841 9.0841 9.6954 9.6954 9.6957 9.6957 17.0767 17.0767 17.0770 17.0770 17.4242 17.4243 17.4275 17.4275 19.0496 19.0496 k = 0.1960 0.3341 0.5482 ( 2394 PWs) bands (ev): -10.7448 -10.7447 -10.7447 -10.7447 -8.8491 -8.8490 -8.8489 -8.8489 -6.2332 -6.2332 -6.2331 -6.2331 -2.2986 -2.2986 -2.2981 -2.2981 0.0342 0.0342 0.0346 0.0347 1.9253 1.9253 1.9253 1.9254 2.0308 2.0308 2.0309 2.0309 3.7639 3.7640 3.7640 3.7641 3.9228 3.9229 3.9230 3.9230 8.1044 8.1044 8.1053 8.1053 9.1000 9.1000 9.1004 9.1004 9.7205 9.7205 9.7207 9.7208 17.1082 17.1082 17.1085 17.1085 17.3989 17.3990 17.4020 17.4021 19.0712 19.0712 k = 0.1890 0.3222 0.5482 ( 2398 PWs) bands (ev): -10.7924 -10.7923 -10.7923 -10.7923 -8.7710 -8.7709 -8.7708 -8.7708 -6.2098 -6.2098 -6.2097 -6.2097 -2.3944 -2.3944 -2.3939 -2.3939 0.0570 0.0570 0.0575 0.0575 1.8673 1.8673 1.8673 1.8673 2.0426 2.0426 2.0427 2.0427 3.7849 3.7850 3.7851 3.7851 3.9513 3.9513 3.9517 3.9517 8.0889 8.0889 8.0900 8.0900 9.1176 9.1176 9.1180 9.1180 9.7461 9.7461 9.7463 9.7463 17.1420 17.1420 17.1422 17.1423 17.3720 17.3720 17.3750 17.3750 19.0903 19.0903 k = 0.1820 0.3103 0.5482 ( 2398 PWs) bands (ev): -10.8385 -10.8385 -10.8385 -10.8384 -8.6918 -8.6917 -8.6916 -8.6916 -6.1867 -6.1867 -6.1866 -6.1866 -2.4908 -2.4908 -2.4903 -2.4903 0.0792 0.0792 0.0797 0.0797 1.8095 1.8095 1.8095 1.8096 2.0508 2.0508 2.0510 2.0510 3.8060 3.8060 3.8061 3.8062 3.9813 3.9813 3.9818 3.9818 8.0747 8.0747 8.0758 8.0759 9.1364 9.1364 9.1368 9.1368 9.7719 9.7719 9.7721 9.7721 17.1779 17.1779 17.1780 17.1781 17.3438 17.3439 17.3467 17.3468 19.1066 19.1067 k = 0.1750 0.2983 0.5482 ( 2398 PWs) bands (ev): -10.8832 -10.8832 -10.8832 -10.8831 -8.6115 -8.6115 -8.6114 -8.6114 -6.1640 -6.1640 -6.1639 -6.1639 -2.5877 -2.5876 -2.5872 -2.5872 0.1010 0.1010 0.1015 0.1015 1.7522 1.7522 1.7522 1.7523 2.0555 2.0555 2.0558 2.0558 3.8269 3.8270 3.8271 3.8271 4.0121 4.0122 4.0128 4.0128 8.0623 8.0623 8.0635 8.0635 9.1562 9.1562 9.1565 9.1565 9.7978 9.7978 9.7980 9.7980 17.2156 17.2156 17.2157 17.2157 17.3148 17.3149 17.3176 17.3177 19.1200 19.1201 k = 0.1680 0.2864 0.5482 ( 2402 PWs) bands (ev): -10.9264 -10.9264 -10.9264 -10.9264 -8.5304 -8.5304 -8.5303 -8.5303 -6.1417 -6.1417 -6.1417 -6.1417 -2.6850 -2.6849 -2.6845 -2.6845 0.1226 0.1226 0.1231 0.1231 1.6956 1.6956 1.6956 1.6957 2.0568 2.0568 2.0572 2.0573 3.8478 3.8478 3.8479 3.8480 4.0432 4.0432 4.0440 4.0440 8.0522 8.0522 8.0535 8.0535 9.1768 9.1768 9.1771 9.1771 9.8236 9.8236 9.8237 9.8238 17.2547 17.2548 17.2548 17.2549 17.2854 17.2854 17.2880 17.2881 19.1302 19.1302 k = 0.1610 0.2745 0.5482 ( 2406 PWs) bands (ev): -10.9681 -10.9681 -10.9681 -10.9680 -8.4485 -8.4484 -8.4483 -8.4483 -6.1200 -6.1199 -6.1199 -6.1199 -2.7826 -2.7825 -2.7821 -2.7821 0.1443 0.1443 0.1448 0.1448 1.6399 1.6399 1.6399 1.6400 2.0549 2.0549 2.0554 2.0554 3.8684 3.8684 3.8686 3.8686 4.0738 4.0738 4.0748 4.0748 8.0447 8.0447 8.0461 8.0461 9.1981 9.1981 9.1984 9.1984 9.8492 9.8492 9.8493 9.8493 17.2555 17.2556 17.2581 17.2581 17.2953 17.2953 17.2953 17.2954 19.1371 19.1373 k = 0.1540 0.2625 0.5482 ( 2402 PWs) bands (ev): -11.0082 -11.0082 -11.0082 -11.0081 -8.3658 -8.3658 -8.3657 -8.3657 -6.0988 -6.0987 -6.0987 -6.0987 -2.8804 -2.8803 -2.8800 -2.8799 0.1662 0.1662 0.1667 0.1667 1.5853 1.5854 1.5854 1.5854 2.0500 2.0500 2.0506 2.0506 3.8887 3.8888 3.8889 3.8890 4.1034 4.1034 4.1045 4.1045 8.0403 8.0403 8.0417 8.0417 9.2199 9.2199 9.2202 9.2202 9.8743 9.8744 9.8744 9.8745 17.2258 17.2259 17.2283 17.2283 17.3367 17.3367 17.3367 17.3367 19.1408 19.1409 k = 0.1470 0.2506 0.5482 ( 2402 PWs) bands (ev): -11.0467 -11.0467 -11.0467 -11.0466 -8.2826 -8.2825 -8.2824 -8.2824 -6.0782 -6.0782 -6.0781 -6.0781 -2.9783 -2.9782 -2.9778 -2.9778 0.1884 0.1884 0.1890 0.1890 1.5321 1.5321 1.5321 1.5322 2.0424 2.0424 2.0430 2.0430 3.9087 3.9087 3.9089 3.9090 4.1314 4.1314 4.1326 4.1326 8.0392 8.0392 8.0407 8.0407 9.2421 9.2421 9.2424 9.2424 9.8989 9.8990 9.8990 9.8991 17.1964 17.1965 17.1987 17.1988 17.3786 17.3787 17.3787 17.3787 19.1412 19.1413 k = 0.1400 0.2387 0.5482 ( 2402 PWs) bands (ev): -11.0836 -11.0835 -11.0835 -11.0835 -8.1989 -8.1989 -8.1988 -8.1987 -6.0583 -6.0583 -6.0582 -6.0582 -3.0761 -3.0760 -3.0757 -3.0756 0.2111 0.2111 0.2116 0.2116 1.4803 1.4804 1.4804 1.4804 2.0322 2.0322 2.0329 2.0329 3.9283 3.9283 3.9285 3.9285 4.1574 4.1574 4.1586 4.1586 8.0416 8.0416 8.0431 8.0431 9.2646 9.2646 9.2648 9.2648 9.9229 9.9229 9.9230 9.9230 17.1674 17.1675 17.1696 17.1697 17.4208 17.4209 17.4209 17.4210 19.1383 19.1385 k = 0.1330 0.2267 0.5482 ( 2398 PWs) bands (ev): -11.1188 -11.1188 -11.1188 -11.1187 -8.1149 -8.1149 -8.1148 -8.1147 -6.0391 -6.0391 -6.0390 -6.0390 -3.1737 -3.1736 -3.1733 -3.1732 0.2342 0.2343 0.2348 0.2348 1.4303 1.4303 1.4303 1.4303 2.0198 2.0198 2.0206 2.0206 3.9473 3.9474 3.9476 3.9476 4.1809 4.1809 4.1822 4.1822 8.0475 8.0475 8.0490 8.0490 9.2871 9.2871 9.2873 9.2873 9.9461 9.9462 9.9462 9.9462 17.1391 17.1392 17.1412 17.1413 17.4628 17.4629 17.4630 17.4630 19.1325 19.1326 k = 0.1260 0.2148 0.5482 ( 2398 PWs) bands (ev): -11.1523 -11.1523 -11.1523 -11.1523 -8.0308 -8.0308 -8.0307 -8.0307 -6.0206 -6.0206 -6.0206 -6.0206 -3.2708 -3.2708 -3.2704 -3.2704 0.2579 0.2579 0.2585 0.2585 1.3820 1.3820 1.3820 1.3821 2.0054 2.0054 2.0062 2.0062 3.9659 3.9659 3.9661 3.9661 4.2017 4.2018 4.2031 4.2031 8.0569 8.0569 8.0584 8.0585 9.3094 9.3095 9.3096 9.3096 9.9685 9.9685 9.9686 9.9686 17.1116 17.1117 17.1136 17.1137 17.5043 17.5044 17.5045 17.5045 19.1240 19.1243 k = 0.1190 0.2029 0.5482 ( 2398 PWs) bands (ev): -11.1842 -11.1842 -11.1842 -11.1841 -7.9468 -7.9468 -7.9467 -7.9467 -6.0030 -6.0030 -6.0030 -6.0030 -3.3674 -3.3673 -3.3670 -3.3669 0.2821 0.2821 0.2826 0.2826 1.3357 1.3357 1.3357 1.3357 1.9892 1.9893 1.9901 1.9901 3.9838 3.9838 3.9840 3.9840 4.2197 4.2198 4.2211 4.2211 8.0697 8.0697 8.0712 8.0712 9.3316 9.3316 9.3318 9.3318 9.9899 9.9899 9.9900 9.9900 17.0851 17.0851 17.0870 17.0870 17.5448 17.5448 17.5450 17.5451 19.1133 19.1133 k = 0.1120 0.1909 0.5482 ( 2398 PWs) bands (ev): -11.2143 -11.2143 -11.2143 -11.2143 -7.8631 -7.8631 -7.8630 -7.8630 -5.9862 -5.9862 -5.9862 -5.9862 -3.4630 -3.4630 -3.4626 -3.4626 0.3067 0.3067 0.3072 0.3073 1.2914 1.2915 1.2915 1.2915 1.9716 1.9716 1.9725 1.9725 4.0010 4.0011 4.0012 4.0013 4.2348 4.2348 4.2362 4.2362 8.0856 8.0856 8.0871 8.0871 9.3534 9.3534 9.3535 9.3535 10.0103 10.0103 10.0103 10.0104 17.0596 17.0597 17.0614 17.0615 17.5839 17.5839 17.5842 17.5842 19.1007 19.1008 k = 0.1050 0.1790 0.5482 ( 2394 PWs) bands (ev): -11.2427 -11.2427 -11.2427 -11.2427 -7.7801 -7.7800 -7.7799 -7.7799 -5.9703 -5.9703 -5.9702 -5.9702 -3.5575 -3.5574 -3.5571 -3.5571 0.3317 0.3317 0.3323 0.3323 1.2494 1.2494 1.2494 1.2494 1.9527 1.9527 1.9536 1.9536 4.0175 4.0176 4.0177 4.0178 4.2470 4.2471 4.2484 4.2484 8.1043 8.1044 8.1058 8.1058 9.3746 9.3746 9.3748 9.3748 10.0296 10.0296 10.0296 10.0297 17.0353 17.0354 17.0370 17.0371 17.6212 17.6212 17.6215 17.6215 19.0870 19.0871 k = 0.0980 0.1671 0.5482 ( 2402 PWs) bands (ev): -11.2694 -11.2693 -11.2693 -11.2693 -7.6979 -7.6978 -7.6977 -7.6977 -5.9553 -5.9552 -5.9552 -5.9552 -3.6505 -3.6504 -3.6501 -3.6501 0.3570 0.3570 0.3575 0.3575 1.2096 1.2096 1.2096 1.2097 1.9328 1.9329 1.9338 1.9338 4.0332 4.0333 4.0334 4.0335 4.2565 4.2565 4.2578 4.2579 8.1255 8.1255 8.1269 8.1269 9.3952 9.3952 9.3953 9.3954 10.0477 10.0478 10.0478 10.0478 17.0123 17.0124 17.0139 17.0140 17.6562 17.6562 17.6565 17.6565 19.0727 19.0727 k = 0.0910 0.1551 0.5482 ( 2408 PWs) bands (ev): -11.2942 -11.2942 -11.2942 -11.2942 -7.6169 -7.6169 -7.6168 -7.6167 -5.9412 -5.9412 -5.9411 -5.9411 -3.7416 -3.7416 -3.7413 -3.7412 0.3824 0.3824 0.3829 0.3829 1.1722 1.1723 1.1723 1.1723 1.9122 1.9123 1.9132 1.9132 4.0481 4.0482 4.0483 4.0483 4.2634 4.2635 4.2647 4.2648 8.1485 8.1485 8.1499 8.1499 9.4150 9.4150 9.4151 9.4151 10.0647 10.0647 10.0648 10.0648 16.9907 16.9907 16.9921 16.9922 17.6885 17.6885 17.6889 17.6889 19.0584 19.0584 k = 0.0840 0.1432 0.5482 ( 2412 PWs) bands (ev): -11.3173 -11.3173 -11.3173 -11.3173 -7.5376 -7.5375 -7.5374 -7.5374 -5.9280 -5.9280 -5.9280 -5.9280 -3.8305 -3.8304 -3.8302 -3.8301 0.4077 0.4078 0.4083 0.4083 1.1373 1.1374 1.1374 1.1374 1.8912 1.8912 1.8921 1.8921 4.0621 4.0622 4.0623 4.0623 4.2681 4.2681 4.2693 4.2693 8.1730 8.1731 8.1743 8.1743 9.4339 9.4339 9.4340 9.4340 10.0805 10.0805 10.0806 10.0806 16.9705 16.9705 16.9718 16.9719 17.7178 17.7179 17.7182 17.7183 19.0448 19.0449 k = 0.0770 0.1313 0.5482 ( 2408 PWs) bands (ev): -11.3386 -11.3386 -11.3386 -11.3385 -7.4604 -7.4603 -7.4602 -7.4602 -5.9159 -5.9159 -5.9158 -5.9158 -3.9165 -3.9165 -3.9162 -3.9162 0.4329 0.4329 0.4334 0.4334 1.1050 1.1050 1.1050 1.1051 1.8699 1.8700 1.8708 1.8709 4.0752 4.0752 4.0753 4.0754 4.2707 4.2707 4.2719 4.2719 8.1984 8.1984 8.1996 8.1996 9.4518 9.4518 9.4518 9.4519 10.0950 10.0951 10.0951 10.0951 16.9517 16.9518 16.9530 16.9530 17.7439 17.7439 17.7443 17.7444 19.0324 19.0325 k = 0.0700 0.1193 0.5482 ( 2408 PWs) bands (ev): -11.3581 -11.3580 -11.3580 -11.3580 -7.3858 -7.3858 -7.3857 -7.3856 -5.9047 -5.9047 -5.9047 -5.9047 -3.9993 -3.9992 -3.9990 -3.9990 0.4575 0.4575 0.4580 0.4580 1.0753 1.0753 1.0753 1.0753 1.8488 1.8488 1.8497 1.8497 4.0872 4.0873 4.0874 4.0874 4.2717 4.2717 4.2728 4.2728 8.2241 8.2241 8.2252 8.2252 9.4685 9.4685 9.4685 9.4685 10.1083 10.1083 10.1084 10.1084 16.9345 16.9345 16.9356 16.9357 17.7665 17.7666 17.7670 17.7670 19.0217 19.0217 k = 0.0630 0.1074 0.5482 ( 2400 PWs) bands (ev): -11.3757 -11.3757 -11.3757 -11.3757 -7.3145 -7.3145 -7.3144 -7.3143 -5.8945 -5.8945 -5.8945 -5.8945 -4.0781 -4.0780 -4.0778 -4.0778 0.4814 0.4814 0.4819 0.4819 1.0482 1.0483 1.0483 1.0483 1.8281 1.8281 1.8289 1.8289 4.0983 4.0984 4.0984 4.0985 4.2713 4.2713 4.2723 4.2724 8.2495 8.2495 8.2505 8.2506 9.4839 9.4839 9.4840 9.4840 10.1203 10.1204 10.1204 10.1204 16.9188 16.9189 16.9199 16.9199 17.7857 17.7857 17.7861 17.7862 19.0128 19.0129 k = 0.0560 0.0955 0.5482 ( 2400 PWs) bands (ev): -11.3915 -11.3915 -11.3915 -11.3915 -7.2472 -7.2471 -7.2470 -7.2470 -5.8854 -5.8854 -5.8854 -5.8854 -4.1522 -4.1521 -4.1519 -4.1519 0.5042 0.5042 0.5046 0.5046 1.0239 1.0239 1.0239 1.0240 1.8081 1.8082 1.8089 1.8089 4.1083 4.1083 4.1084 4.1085 4.2699 4.2699 4.2709 4.2709 8.2740 8.2740 8.2750 8.2750 9.4980 9.4980 9.4981 9.4981 10.1311 10.1311 10.1311 10.1312 16.9048 16.9048 16.9057 16.9057 17.8014 17.8015 17.8019 17.8019 19.0061 19.0061 k = 0.0490 0.0835 0.5482 ( 2400 PWs) bands (ev): -11.4055 -11.4055 -11.4054 -11.4054 -7.1845 -7.1845 -7.1844 -7.1844 -5.8774 -5.8774 -5.8773 -5.8773 -4.2208 -4.2207 -4.2206 -4.2205 0.5255 0.5255 0.5260 0.5260 1.0023 1.0024 1.0024 1.0024 1.7893 1.7893 1.7900 1.7900 4.1172 4.1172 4.1173 4.1174 4.2678 4.2679 4.2687 4.2687 8.2971 8.2971 8.2979 8.2980 9.5107 9.5107 9.5107 9.5107 10.1405 10.1405 10.1405 10.1406 16.8923 16.8924 16.8931 16.8932 17.8140 17.8140 17.8144 17.8144 19.0012 19.0013 k = 0.0420 0.0716 0.5482 ( 2400 PWs) bands (ev): -11.4176 -11.4176 -11.4176 -11.4176 -7.1275 -7.1275 -7.1274 -7.1274 -5.8704 -5.8703 -5.8703 -5.8703 -4.2830 -4.2830 -4.2829 -4.2828 0.5451 0.5451 0.5455 0.5455 0.9836 0.9836 0.9836 0.9836 1.7719 1.7719 1.7725 1.7725 4.1250 4.1250 4.1251 4.1251 4.2654 4.2654 4.2661 4.2662 8.3183 8.3183 8.3190 8.3190 9.5218 9.5218 9.5218 9.5218 10.1486 10.1487 10.1487 10.1487 16.8815 16.8816 16.8822 16.8823 17.8236 17.8237 17.8240 17.8240 18.9982 18.9983 k = 0.0350 0.0597 0.5482 ( 2400 PWs) bands (ev): -11.4279 -11.4279 -11.4278 -11.4278 -7.0770 -7.0770 -7.0769 -7.0769 -5.8644 -5.8644 -5.8644 -5.8644 -4.3380 -4.3380 -4.3379 -4.3378 0.5625 0.5625 0.5629 0.5629 0.9677 0.9677 0.9677 0.9677 1.7564 1.7564 1.7569 1.7569 4.1316 4.1317 4.1317 4.1317 4.2628 4.2629 4.2635 4.2635 8.3371 8.3371 8.3377 8.3377 9.5313 9.5313 9.5314 9.5314 10.1555 10.1555 10.1556 10.1556 16.8724 16.8724 16.8729 16.8730 17.8308 17.8308 17.8311 17.8312 18.9967 18.9967 k = 0.0280 0.0477 0.5482 ( 2400 PWs) bands (ev): -11.4363 -11.4363 -11.4362 -11.4362 -7.0339 -7.0339 -7.0339 -7.0338 -5.8595 -5.8595 -5.8595 -5.8595 -4.3847 -4.3847 -4.3846 -4.3846 0.5774 0.5774 0.5777 0.5777 0.9546 0.9546 0.9546 0.9547 1.7430 1.7431 1.7435 1.7435 4.1371 4.1371 4.1371 4.1372 4.2604 4.2604 4.2609 4.2609 8.3531 8.3531 8.3536 8.3536 9.5392 9.5392 9.5393 9.5393 10.1611 10.1612 10.1612 10.1612 16.8649 16.8649 16.8653 16.8654 17.8359 17.8359 17.8362 17.8362 18.9962 18.9963 k = 0.0210 0.0358 0.5482 ( 2400 PWs) bands (ev): -11.4428 -11.4428 -11.4428 -11.4428 -6.9993 -6.9992 -6.9992 -6.9992 -5.8557 -5.8557 -5.8557 -5.8557 -4.4223 -4.4222 -4.4222 -4.4221 0.5895 0.5895 0.5897 0.5897 0.9444 0.9444 0.9445 0.9445 1.7323 1.7323 1.7326 1.7326 4.1413 4.1414 4.1414 4.1414 4.2583 4.2583 4.2587 4.2587 8.3659 8.3659 8.3663 8.3663 9.5454 9.5454 9.5454 9.5454 10.1655 10.1655 10.1655 10.1655 16.8590 16.8591 16.8594 16.8594 17.8394 17.8394 17.8396 17.8396 18.9964 18.9964 k = 0.0140 0.0239 0.5482 ( 2400 PWs) bands (ev): -11.4475 -11.4475 -11.4475 -11.4475 -6.9738 -6.9738 -6.9737 -6.9737 -5.8530 -5.8530 -5.8530 -5.8530 -4.4498 -4.4497 -4.4497 -4.4497 0.5983 0.5983 0.5985 0.5985 0.9372 0.9372 0.9372 0.9372 1.7244 1.7244 1.7246 1.7246 4.1444 4.1444 4.1444 4.1445 4.2567 4.2568 4.2570 4.2570 8.3753 8.3753 8.3755 8.3756 9.5499 9.5499 9.5499 9.5499 10.1686 10.1686 10.1686 10.1686 16.8549 16.8549 16.8551 16.8552 17.8415 17.8416 17.8417 17.8417 18.9968 18.9969 k = 0.0070 0.0119 0.5482 ( 2400 PWs) bands (ev): -11.4503 -11.4503 -11.4503 -11.4503 -6.9582 -6.9582 -6.9582 -6.9582 -5.8514 -5.8514 -5.8513 -5.8513 -4.4666 -4.4666 -4.4665 -4.4665 0.6037 0.6038 0.6038 0.6038 0.9328 0.9328 0.9328 0.9328 1.7195 1.7195 1.7196 1.7197 4.1462 4.1462 4.1463 4.1463 4.2558 4.2558 4.2559 4.2559 8.3810 8.3810 8.3811 8.3812 9.5526 9.5526 9.5526 9.5526 10.1704 10.1705 10.1705 10.1705 16.8524 16.8525 16.8526 16.8526 17.8427 17.8428 17.8428 17.8429 18.9972 18.9973 k = 0.0000 0.0000 0.5482 ( 2400 PWs) bands (ev): -11.4512 -11.4512 -11.4512 -11.4512 -6.9530 -6.9530 -6.9529 -6.9529 -5.8508 -5.8508 -5.8508 -5.8508 -4.4722 -4.4722 -4.4722 -4.4722 0.6056 0.6056 0.6056 0.6056 0.9313 0.9313 0.9314 0.9314 1.7179 1.7179 1.7179 1.7179 4.1468 4.1468 4.1469 4.1469 4.2555 4.2555 4.2555 4.2555 8.3830 8.3830 8.3830 8.3830 9.5535 9.5535 9.5535 9.5535 10.1711 10.1711 10.1711 10.1711 16.8517 16.8517 16.8517 16.8517 17.8431 17.8431 17.8432 17.8432 18.9974 18.9974 k = 0.0000 0.0000 0.5482 ( 2400 PWs) bands (ev): -11.4512 -11.4512 -11.4512 -11.4512 -6.9530 -6.9530 -6.9529 -6.9529 -5.8508 -5.8508 -5.8508 -5.8508 -4.4722 -4.4722 -4.4722 -4.4722 0.6056 0.6056 0.6056 0.6056 0.9313 0.9313 0.9314 0.9314 1.7179 1.7179 1.7179 1.7179 4.1468 4.1468 4.1469 4.1469 4.2555 4.2555 4.2555 4.2555 8.3830 8.3830 8.3830 8.3830 9.5535 9.5535 9.5535 9.5535 10.1711 10.1711 10.1711 10.1711 16.8517 16.8517 16.8517 16.8517 17.8431 17.8431 17.8432 17.8432 18.9974 18.9974 k = 0.0000 0.0000 0.5345 ( 2400 PWs) bands (ev): -11.5292 -11.5292 -11.3716 -11.3716 -6.9633 -6.9633 -6.9456 -6.9456 -5.8566 -5.8566 -5.8455 -5.8455 -4.4704 -4.4704 -4.4682 -4.4682 0.5710 0.5710 0.6259 0.6259 0.8802 0.8802 0.9830 0.9830 1.7074 1.7074 1.7395 1.7395 4.1204 4.1204 4.1672 4.1672 4.1981 4.1981 4.3176 4.3176 8.3599 8.3599 8.4078 8.4078 9.5410 9.5410 9.5655 9.5655 10.1552 10.1552 10.1842 10.1842 16.8518 16.8518 16.8592 16.8592 17.7732 17.7732 17.9100 17.9100 18.9925 18.9925 k = 0.0000 0.0000 0.5208 ( 2404 PWs) bands (ev): -11.6054 -11.6054 -11.2905 -11.2905 -6.9765 -6.9765 -6.9414 -6.9414 -5.8628 -5.8628 -5.8406 -5.8406 -4.4627 -4.4627 -4.4586 -4.4586 0.5217 0.5217 0.6329 0.6329 0.8297 0.8297 1.0350 1.0350 1.7079 1.7079 1.7710 1.7710 4.0879 4.0879 4.1458 4.1458 4.1812 4.1812 4.3841 4.3841 8.3389 8.3389 8.4338 8.4338 9.5280 9.5280 9.5770 9.5770 10.1367 10.1367 10.1942 10.1942 16.8596 16.8596 16.8744 16.8744 17.7002 17.7002 17.9734 17.9734 18.9865 18.9865 k = 0.0000 0.0000 0.5071 ( 2402 PWs) bands (ev): -11.6800 -11.6800 -11.2077 -11.2077 -6.9925 -6.9925 -6.9402 -6.9402 -5.8694 -5.8694 -5.8363 -5.8363 -4.4491 -4.4491 -4.4434 -4.4434 0.4585 0.4585 0.6285 0.6285 0.7799 0.7799 1.0873 1.0873 1.7189 1.7189 1.8109 1.8109 4.0497 4.0497 4.0990 4.0990 4.1889 4.1889 4.4542 4.4542 8.3204 8.3204 8.4606 8.4606 9.5144 9.5144 9.5883 9.5883 10.1158 10.1158 10.2012 10.2012 16.8747 16.8747 16.8971 16.8971 17.6244 17.6244 18.0331 18.0331 18.9802 18.9802 k = 0.0000 0.0000 0.4934 ( 2400 PWs) bands (ev): -11.7528 -11.7528 -11.1235 -11.1235 -7.0110 -7.0110 -6.9420 -6.9420 -5.8763 -5.8763 -5.8324 -5.8324 -4.4297 -4.4297 -4.4230 -4.4230 0.3825 0.3825 0.6146 0.6146 0.7309 0.7309 1.1396 1.1396 1.7393 1.7393 1.8575 1.8575 4.0059 4.0059 4.0578 4.0578 4.1902 4.1902 4.5273 4.5273 8.3048 8.3048 8.4878 8.4878 9.5002 9.5002 9.5994 9.5994 10.0928 10.0928 10.2050 10.2050 16.8969 16.8969 16.9272 16.9272 17.5460 17.5460 18.0887 18.0887 18.9747 18.9747 k = 0.0000 0.0000 0.4797 ( 2400 PWs) bands (ev): -11.8239 -11.8239 -11.0377 -11.0377 -7.0318 -7.0318 -6.9467 -6.9467 -5.8836 -5.8836 -5.8290 -5.8290 -4.4045 -4.4045 -4.3977 -4.3977 0.2952 0.2952 0.5933 0.5933 0.6829 0.6829 1.1920 1.1920 1.7676 1.7676 1.9090 1.9090 3.9568 3.9568 4.0224 4.0224 4.1851 4.1851 4.6026 4.6026 8.2926 8.2926 8.5150 8.5150 9.4854 9.4854 9.6103 9.6103 10.0681 10.0681 10.2056 10.2056 16.9256 16.9256 16.9644 16.9644 17.4650 17.4650 18.1399 18.1399 18.9696 18.9697 k = 0.0000 0.0000 0.4660 ( 2400 PWs) bands (ev): -11.8932 -11.8932 -10.9506 -10.9506 -7.0547 -7.0547 -6.9541 -6.9541 -5.8913 -5.8913 -5.8262 -5.8262 -4.3737 -4.3737 -4.3676 -4.3676 0.1982 0.1982 0.5662 0.5662 0.6359 0.6359 1.2441 1.2441 1.8024 1.8024 1.9641 1.9641 3.9028 3.9028 3.9927 3.9927 4.1736 4.1736 4.6793 4.6793 8.2841 8.2841 8.5416 8.5416 9.4700 9.4700 9.6213 9.6213 10.0421 10.0421 10.2029 10.2029 16.9605 16.9605 17.0082 17.0082 17.3817 17.3817 18.1861 18.1861 18.9466 18.9466 k = 0.0000 0.0000 0.4523 ( 2400 PWs) bands (ev): -11.9607 -11.9607 -10.8621 -10.8621 -7.0794 -7.0794 -6.9642 -6.9642 -5.8992 -5.8992 -5.8240 -5.8240 -4.3375 -4.3375 -4.3332 -4.3332 0.0929 0.0929 0.5348 0.5348 0.5899 0.5899 1.2958 1.2958 1.8424 1.8424 2.0216 2.0216 3.8441 3.8441 3.9687 3.9687 4.1558 4.1558 4.7565 4.7565 8.2798 8.2798 8.5672 8.5672 9.4541 9.4541 9.6324 9.6324 10.0152 10.0152 10.1970 10.1970 17.0007 17.0007 17.0581 17.0581 17.2961 17.2961 18.2271 18.2271 18.9155 18.9155 k = 0.0000 0.0000 0.4386 ( 2400 PWs) bands (ev): -12.0263 -12.0263 -10.7723 -10.7723 -7.1057 -7.1057 -6.9765 -6.9765 -5.9073 -5.9073 -5.8223 -5.8223 -4.2962 -4.2962 -4.2947 -4.2947 -0.0193 -0.0193 0.5003 0.5003 0.5452 0.5452 1.3470 1.3470 1.8866 1.8866 2.0807 2.0807 3.7811 3.7811 3.9503 3.9503 4.1319 4.1319 4.8334 4.8334 8.2802 8.2802 8.5912 8.5912 9.4377 9.4377 9.6436 9.6436 9.9879 9.9879 10.1879 10.1879 17.0455 17.0455 17.1135 17.1135 17.2083 17.2083 18.2624 18.2624 18.8766 18.8766 k = 0.0000 0.0000 0.4249 ( 2396 PWs) bands (ev): -12.0901 -12.0901 -10.6812 -10.6812 -7.1333 -7.1333 -6.9910 -6.9910 -5.9157 -5.9157 -5.8212 -5.8212 -4.2526 -4.2526 -4.2500 -4.2500 -0.1373 -0.1373 0.4637 0.4637 0.5018 0.5018 1.3973 1.3973 1.9342 1.9342 2.1407 2.1407 3.7142 3.7142 3.9374 3.9374 4.1021 4.1021 4.9089 4.9089 8.2856 8.2856 8.6130 8.6130 9.4209 9.4209 9.6551 9.6551 9.9609 9.9609 10.1758 10.1758 17.0939 17.0939 17.1187 17.1187 17.1737 17.1737 18.2918 18.2918 18.8301 18.8301 k = 0.0000 0.0000 0.4112 ( 2392 PWs) bands (ev): -12.1520 -12.1520 -10.5889 -10.5889 -7.1619 -7.1619 -7.0074 -7.0074 -5.9243 -5.9243 -5.8206 -5.8206 -4.2071 -4.2071 -4.1992 -4.1992 -0.2600 -0.2600 0.4256 0.4256 0.4597 0.4597 1.4465 1.4465 1.9842 1.9842 2.2014 2.2014 3.6439 3.6439 3.9297 3.9297 4.0665 4.0665 4.9824 4.9824 8.2964 8.2964 8.6320 8.6320 9.4037 9.4037 9.6670 9.6670 9.9347 9.9347 10.1607 10.1607 17.0271 17.0271 17.1451 17.1451 17.2377 17.2377 18.3151 18.3151 18.7769 18.7769 k = 0.0000 0.0000 0.3975 ( 2388 PWs) bands (ev): -12.2121 -12.2121 -10.4956 -10.4956 -7.1912 -7.1912 -7.0253 -7.0253 -5.9330 -5.9330 -5.8207 -5.8207 -4.1586 -4.1586 -4.1441 -4.1441 -0.3868 -0.3868 0.3867 0.3867 0.4190 0.4190 1.4943 1.4943 2.0364 2.0364 2.2624 2.2624 3.5707 3.5707 3.9269 3.9269 4.0254 4.0254 5.0528 5.0528 8.3129 8.3129 8.6475 8.6475 9.3864 9.3864 9.6793 9.6793 9.9100 9.9100 10.1427 10.1427 16.9339 16.9339 17.1974 17.1974 17.3047 17.3047 18.3326 18.3326 18.7182 18.7182 k = 0.0000 0.0000 0.3838 ( 2388 PWs) bands (ev): -12.2702 -12.2702 -10.4013 -10.4013 -7.2212 -7.2212 -7.0445 -7.0445 -5.9419 -5.9419 -5.8213 -5.8213 -4.1074 -4.1074 -4.0850 -4.0850 -0.5166 -0.5166 0.3473 0.3473 0.3799 0.3799 1.5404 1.5404 2.0900 2.0900 2.3235 2.3235 3.4951 3.4951 3.9289 3.9289 3.9791 3.9791 5.1194 5.1194 8.3353 8.3353 8.6590 8.6590 9.3688 9.3688 9.6919 9.6919 9.8874 9.8874 10.1221 10.1221 16.8394 16.8394 17.2495 17.2495 17.3735 17.3735 18.3445 18.3445 18.6553 18.6553 k = 0.0000 0.0000 0.3701 ( 2384 PWs) bands (ev): -12.3264 -12.3264 -10.3060 -10.3060 -7.2515 -7.2515 -7.0649 -7.0649 -5.9508 -5.9508 -5.8226 -5.8226 -4.0538 -4.0538 -4.0222 -4.0222 -0.6489 -0.6489 0.3079 0.3079 0.3423 0.3423 1.5843 1.5843 2.1447 2.1447 2.3848 2.3848 3.4177 3.4177 3.9279 3.9279 3.9353 3.9353 5.1816 5.1816 8.3638 8.3638 8.6658 8.6658 9.3513 9.3513 9.7050 9.7050 9.8678 9.8678 10.0992 10.0992 16.7438 16.7438 17.3000 17.3000 17.4430 17.4430 18.3515 18.3515 18.5894 18.5894 k = 0.0000 0.0000 0.3563 ( 2378 PWs) bands (ev): -12.3807 -12.3807 -10.2100 -10.2100 -7.2819 -7.2819 -7.0861 -7.0861 -5.9598 -5.9598 -5.8245 -5.8245 -3.9982 -3.9982 -3.9560 -3.9560 -0.7831 -0.7831 0.2687 0.2687 0.3064 0.3064 1.6256 1.6256 2.2003 2.2003 2.4460 2.4460 3.3393 3.3393 3.8722 3.8722 3.9457 3.9457 5.2386 5.2386 8.3985 8.3985 8.6673 8.6673 9.3338 9.3338 9.7185 9.7185 9.8516 9.8516 10.0740 10.0740 16.6472 16.6472 17.3471 17.3471 17.5119 17.5119 18.3540 18.3540 18.5218 18.5218 k = 0.0000 0.0000 0.3426 ( 2378 PWs) bands (ev): -12.4330 -12.4330 -10.1132 -10.1132 -7.3123 -7.3123 -7.1080 -7.1080 -5.9689 -5.9689 -5.8271 -5.8271 -3.9409 -3.9409 -3.8867 -3.8867 -0.9185 -0.9185 0.2299 0.2299 0.2723 0.2723 1.6635 1.6635 2.2563 2.2563 2.5071 2.5071 3.2607 3.2607 3.8123 3.8123 3.9599 3.9599 5.2902 5.2902 8.4392 8.4392 8.6632 8.6632 9.3165 9.3165 9.7324 9.7324 9.8394 9.8394 10.0470 10.0470 16.5501 16.5501 17.3890 17.3890 17.5789 17.5789 18.3527 18.3527 18.4535 18.4535 k = 0.0000 0.0000 0.3289 ( 2374 PWs) bands (ev): -12.4834 -12.4834 -10.0159 -10.0159 -7.3424 -7.3424 -7.1302 -7.1302 -5.9778 -5.9778 -5.8302 -5.8302 -3.8822 -3.8822 -3.8146 -3.8146 -1.0545 -1.0545 0.1919 0.1919 0.2399 0.2399 1.6974 1.6974 2.3127 2.3127 2.5681 2.5681 3.1828 3.1828 3.7487 3.7487 3.9775 3.9775 5.3359 5.3359 8.4856 8.4856 8.6533 8.6533 9.2994 9.2994 9.7467 9.7467 9.8314 9.8314 10.0184 10.0184 16.4527 16.4527 17.4240 17.4240 17.6428 17.6428 18.3481 18.3481 18.3853 18.3853 k = 0.0000 0.0000 0.3152 ( 2374 PWs) bands (ev): -12.5318 -12.5318 -9.9182 -9.9182 -7.3722 -7.3722 -7.1527 -7.1527 -5.9868 -5.9868 -5.8341 -5.8341 -3.8224 -3.8224 -3.7400 -3.7400 -1.1907 -1.1907 0.1546 0.1546 0.2094 0.2094 1.7263 1.7263 2.3691 2.3691 2.6290 2.6290 3.1068 3.1068 3.6816 3.6816 3.9982 3.9982 5.3756 5.3756 8.5374 8.5374 8.6375 8.6375 9.2828 9.2828 9.7612 9.7612 9.8279 9.8279 9.9885 9.9885 16.3554 16.3554 17.4503 17.4503 17.7023 17.7023 18.3176 18.3176 18.3409 18.3409 k = 0.0000 0.0000 0.3015 ( 2374 PWs) bands (ev): -12.5782 -12.5782 -9.8201 -9.8201 -7.4015 -7.4015 -7.1753 -7.1753 -5.9956 -5.9956 -5.8386 -5.8386 -3.7618 -3.7618 -3.6633 -3.6633 -1.3266 -1.3266 0.1183 0.1183 0.1808 0.1808 1.7492 1.7492 2.4253 2.4253 2.6896 2.6896 3.0340 3.0340 3.6117 3.6117 4.0215 4.0215 5.4093 5.4093 8.5938 8.5938 8.6163 8.6163 9.2665 9.2665 9.7760 9.7760 9.8286 9.8286 9.9579 9.9579 16.2586 16.2586 17.4668 17.4668 17.7566 17.7566 18.2516 18.2516 18.3310 18.3310 k = 0.0000 0.0000 0.2878 ( 2370 PWs) bands (ev): -12.6226 -12.6226 -9.7220 -9.7220 -7.4302 -7.4302 -7.1977 -7.1977 -6.0044 -6.0044 -5.8438 -5.8438 -3.7007 -3.7007 -3.5846 -3.5846 -1.4617 -1.4617 0.0831 0.0831 0.1542 0.1542 1.7648 1.7648 2.4812 2.4812 2.7500 2.7500 2.9658 2.9658 3.5392 3.5392 4.0473 4.0473 5.4370 5.4370 8.5892 8.5892 8.6548 8.6548 9.2509 9.2509 9.7909 9.7909 9.8334 9.8334 9.9270 9.9270 16.1626 16.1626 17.4726 17.4726 17.8050 17.8050 18.1873 18.1873 18.3191 18.3191 k = 0.0000 0.0000 0.2741 ( 2366 PWs) bands (ev): -12.6650 -12.6650 -9.6240 -9.6240 -7.4581 -7.4581 -7.2199 -7.2199 -6.0129 -6.0129 -5.8497 -5.8497 -3.6395 -3.6395 -3.5044 -3.5044 -1.5955 -1.5955 0.0491 0.0491 0.1296 0.1296 1.7718 1.7718 2.5366 2.5366 2.8100 2.8100 2.9040 2.9040 3.4647 3.4647 4.0751 4.0751 5.4591 5.4591 8.5578 8.5578 8.7185 8.7185 9.2358 9.2358 9.8059 9.8059 9.8418 9.8418 9.8963 9.8963 16.0678 16.0678 17.4677 17.4677 17.8469 17.8469 18.1250 18.1250 18.3054 18.3054 k = 0.0000 0.0000 0.2604 ( 2366 PWs) bands (ev): -12.7053 -12.7053 -9.5262 -9.5262 -7.4852 -7.4852 -7.2416 -7.2416 -6.0213 -6.0213 -5.8563 -5.8563 -3.5784 -3.5784 -3.4228 -3.4228 -1.7275 -1.7275 0.0164 0.0164 0.1070 0.1070 1.7687 1.7687 2.5913 2.5913 2.8500 2.8500 2.8697 2.8697 3.3887 3.3887 4.1045 4.1045 5.4757 5.4757 8.5222 8.5222 8.7845 8.7845 9.2213 9.2213 9.8209 9.8209 9.8532 9.8532 9.8666 9.8666 15.9746 15.9746 17.4525 17.4525 17.8825 17.8825 18.0651 18.0651 18.2900 18.2900 k = 0.0000 0.0000 0.2467 ( 2370 PWs) bands (ev): -12.7437 -12.7437 -9.4290 -9.4290 -7.5113 -7.5113 -7.2629 -7.2629 -6.0295 -6.0295 -5.8636 -5.8636 -3.5177 -3.5177 -3.3404 -3.3404 -1.8573 -1.8573 -0.0150 -0.0150 0.0866 0.0866 1.7546 1.7546 2.6450 2.6450 2.8053 2.8053 2.9287 2.9287 3.3116 3.3116 4.1352 4.1352 5.4871 5.4871 8.4833 8.4833 8.8512 8.8512 9.2076 9.2076 9.8337 9.8337 9.8401 9.8401 9.8676 9.8676 15.8834 15.8834 17.4279 17.4279 17.9118 17.9118 18.0076 18.0076 18.2731 18.2731 k = 0.0000 0.0000 0.2330 ( 2376 PWs) bands (ev): -12.7800 -12.7800 -9.3326 -9.3326 -7.5364 -7.5364 -7.2835 -7.2835 -6.0374 -6.0374 -5.8716 -5.8716 -3.4579 -3.4579 -3.2573 -3.2573 -1.9844 -1.9844 -0.0450 -0.0450 0.0683 0.0683 1.7289 1.7289 2.6977 2.6977 2.7705 2.7705 2.9870 2.9870 3.2339 3.2339 4.1668 4.1668 5.4939 5.4939 8.4417 8.4417 8.9174 8.9174 9.1947 9.1947 9.8114 9.8114 9.8515 9.8515 9.8835 9.8835 15.7946 15.7946 17.3954 17.3954 17.9352 17.9352 17.9530 17.9530 18.2550 18.2550 k = 0.0000 0.0000 0.2193 ( 2372 PWs) bands (ev): -12.8143 -12.8143 -9.2374 -9.2374 -7.5604 -7.5604 -7.3034 -7.3034 -6.0450 -6.0450 -5.8803 -5.8803 -3.3991 -3.3991 -3.1741 -3.1741 -2.1083 -2.1083 -0.0735 -0.0735 0.0521 0.0521 1.6921 1.6921 2.7446 2.7446 2.7504 2.7504 3.0445 3.0445 3.1562 3.1562 4.1990 4.1990 5.4966 5.4966 8.3983 8.3983 8.9815 8.9815 9.1825 9.1825 9.7891 9.7891 9.8663 9.8663 9.9009 9.9009 15.7085 15.7085 17.3565 17.3565 17.9007 17.9007 17.9540 17.9540 18.2358 18.2358 k = 0.0000 0.0000 0.2056 ( 2372 PWs) bands (ev): -12.8466 -12.8466 -9.1435 -9.1435 -7.5832 -7.5832 -7.3224 -7.3224 -6.0523 -6.0523 -5.8898 -5.8898 -3.3418 -3.3418 -3.0909 -3.0909 -2.2285 -2.2285 -0.1005 -0.1005 0.0380 0.0380 1.6450 1.6450 2.7301 2.7301 2.7993 2.7993 3.0788 3.0788 3.1010 3.1010 4.2314 4.2314 5.4954 5.4954 8.3536 8.3536 9.0414 9.0414 9.1711 9.1711 9.7716 9.7716 9.8808 9.8808 9.9193 9.9193 15.6256 15.6256 17.3129 17.3129 17.8515 17.8515 17.9679 17.9679 18.2156 18.2156 k = 0.0000 0.0000 0.1919 ( 2368 PWs) bands (ev): -12.8767 -12.8767 -9.0515 -9.0515 -7.6048 -7.6048 -7.3405 -7.3405 -6.0593 -6.0593 -5.8999 -5.8999 -3.2862 -3.2862 -3.0084 -3.0084 -2.3446 -2.3446 -0.1259 -0.1259 0.0260 0.0260 1.5895 1.5895 2.7226 2.7226 2.8476 2.8476 3.0025 3.0025 3.1562 3.1562 4.2637 4.2637 5.4910 5.4910 8.3084 8.3084 9.0952 9.0952 9.1606 9.1606 9.7605 9.7605 9.8949 9.8949 9.9381 9.9381 15.5462 15.5462 17.2661 17.2661 17.8052 17.8052 17.9780 17.9780 18.1948 18.1948 k = 0.0000 0.0000 0.1782 ( 2367 PWs) bands (ev): -12.9049 -12.9049 -8.9617 -8.9617 -7.6251 -7.6251 -7.3577 -7.3577 -6.0659 -6.0659 -5.9107 -5.9107 -3.2326 -3.2326 -2.9269 -2.9269 -2.4560 -2.4560 -0.1497 -0.1497 0.0161 0.0161 1.5276 1.5276 2.7214 2.7214 2.8941 2.8941 2.9278 2.9278 3.2099 3.2099 4.2955 4.2955 5.4838 5.4838 8.2633 8.2633 9.1401 9.1401 9.1516 9.1516 9.7574 9.7574 9.9085 9.9085 9.9572 9.9572 15.4706 15.4706 17.2175 17.2175 17.7620 17.7620 17.9850 17.9850 18.1734 18.1734 k = 0.0000 0.0000 0.1645 ( 2375 PWs) bands (ev): -12.9310 -12.9310 -8.8745 -8.8745 -7.6441 -7.6441 -7.3738 -7.3738 -6.0721 -6.0721 -5.9221 -5.9221 -3.1815 -3.1815 -2.8470 -2.8470 -2.5621 -2.5621 -0.1719 -0.1719 0.0080 0.0080 1.4611 1.4611 2.7251 2.7251 2.8550 2.8550 2.9384 2.9384 3.2618 3.2618 4.3265 4.3265 5.4743 5.4743 8.2189 8.2189 9.1416 9.1416 9.1768 9.1768 9.7633 9.7633 9.9214 9.9214 9.9759 9.9759 15.3992 15.3992 17.1684 17.1684 17.7216 17.7216 17.9894 17.9894 18.1518 18.1518 k = 0.0000 0.0000 0.1508 ( 2377 PWs) bands (ev): -12.9550 -12.9550 -8.7906 -8.7906 -7.6617 -7.6617 -7.3888 -7.3888 -6.0779 -6.0779 -5.9339 -5.9339 -3.1331 -3.1331 -2.7692 -2.7692 -2.6625 -2.6625 -0.1924 -0.1924 0.0019 0.0019 1.3922 1.3922 2.7322 2.7322 2.7850 2.7850 2.9804 2.9804 3.3116 3.3116 4.3564 4.3564 5.4630 5.4630 8.1758 8.1758 9.1336 9.1336 9.2018 9.2018 9.7786 9.7786 9.9337 9.9337 9.9942 9.9942 15.3323 15.3323 17.1199 17.1199 17.6844 17.6844 17.9919 17.9919 18.1302 18.1302 k = 0.0000 0.0000 0.1371 ( 2373 PWs) bands (ev): -12.9769 -12.9769 -8.7105 -8.7105 -7.6778 -7.6778 -7.4027 -7.4027 -6.0833 -6.0833 -5.9462 -5.9462 -3.0877 -3.0877 -2.7566 -2.7566 -2.6941 -2.6941 -0.2113 -0.2113 -0.0026 -0.0026 1.3226 1.3226 2.7181 2.7181 2.7417 2.7417 3.0198 3.0198 3.3590 3.3590 4.3849 4.3849 5.4504 5.4504 8.1344 8.1344 9.1263 9.1263 9.2168 9.2168 9.8022 9.8022 9.9452 9.9452 10.0117 10.0117 15.2701 15.2701 17.0730 17.0730 17.6503 17.6503 17.9928 17.9928 18.1090 18.1090 k = 0.0000 0.0000 0.1234 ( 2375 PWs) bands (ev): -12.9967 -12.9967 -8.6348 -8.6348 -7.6926 -7.6926 -7.4154 -7.4154 -6.0882 -6.0882 -5.9587 -5.9587 -3.0456 -3.0456 -2.8438 -2.8438 -2.6225 -2.6225 -0.2283 -0.2283 -0.0055 -0.0055 1.2538 1.2538 2.6553 2.6553 2.7522 2.7522 3.0564 3.0564 3.4037 3.4037 4.4116 4.4116 5.4368 5.4368 8.0954 8.0954 9.1198 9.1198 9.2235 9.2235 9.8318 9.8318 9.9558 9.9558 10.0281 10.0281 15.2130 15.2130 17.0285 17.0285 17.6193 17.6193 17.9925 17.9925 18.0885 18.0885 k = 0.0000 0.0000 0.1096 ( 2369 PWs) bands (ev): -13.0145 -13.0145 -8.5641 -8.5641 -7.7058 -7.7058 -7.4268 -7.4268 -6.0927 -6.0927 -5.9711 -5.9711 -3.0071 -3.0071 -2.9237 -2.9237 -2.5551 -2.5551 -0.2437 -0.2437 -0.0071 -0.0071 1.1875 1.1875 2.5969 2.5969 2.7632 2.7632 3.0899 3.0899 3.4452 3.4452 4.4364 4.4364 5.4230 5.4230 8.0591 8.0591 9.1141 9.1141 9.2241 9.2241 9.8650 9.8650 9.9655 9.9655 10.0433 10.0433 15.1613 15.1613 16.9871 16.9871 17.5915 17.5915 17.9915 17.9915 18.0689 18.0689 k = 0.0000 0.0000 0.0959 ( 2375 PWs) bands (ev): -13.0302 -13.0302 -8.4993 -8.4993 -7.7176 -7.7176 -7.4369 -7.4369 -6.0966 -6.0966 -5.9833 -5.9833 -2.9956 -2.9956 -2.9724 -2.9724 -2.4927 -2.4927 -0.2573 -0.2573 -0.0076 -0.0076 1.1250 1.1250 2.5435 2.5435 2.7741 2.7741 3.1202 3.1202 3.4832 3.4832 4.4588 4.4588 5.4093 5.4093 8.0259 8.0259 9.1091 9.1091 9.2206 9.2206 9.8992 9.8992 9.9743 9.9743 10.0570 10.0570 15.1150 15.1150 16.9493 16.9493 17.5669 17.5669 17.9900 17.9900 18.0506 18.0506 k = 0.0000 0.0000 0.0822 ( 2379 PWs) bands (ev): -13.0438 -13.0438 -8.4409 -8.4409 -7.7278 -7.7278 -7.4458 -7.4458 -6.1001 -6.1001 -5.9950 -5.9950 -3.0591 -3.0591 -2.9419 -2.9419 -2.4362 -2.4362 -0.2691 -0.2691 -0.0073 -0.0073 1.0676 1.0676 2.4957 2.4957 2.7843 2.7843 3.1469 3.1469 3.5172 3.5172 4.4788 4.4788 5.3962 5.3962 7.9963 7.9963 9.1048 9.1048 9.2148 9.2148 9.9321 9.9321 9.9822 9.9822 10.0692 10.0692 15.0745 15.0745 16.9156 16.9156 17.5455 17.5455 17.9882 17.9882 18.0341 18.0341 k = 0.0000 0.0000 0.0685 ( 2387 PWs) bands (ev): -13.0553 -13.0553 -8.3899 -8.3899 -7.7365 -7.7365 -7.4534 -7.4534 -6.1031 -6.1031 -6.0057 -6.0057 -3.1137 -3.1137 -2.9156 -2.9156 -2.3863 -2.3863 -0.2791 -0.2791 -0.0064 -0.0064 1.0166 1.0166 2.4542 2.4542 2.7935 2.7935 3.1699 3.1699 3.5469 3.5469 4.4961 4.4961 5.3841 5.3841 7.9707 7.9707 9.1012 9.1012 9.2081 9.2081 9.9618 9.9618 9.9895 9.9895 10.0797 10.0797 15.0399 15.0399 16.8865 16.8865 17.5274 17.5274 17.9864 17.9864 18.0195 18.0195 k = 0.0000 0.0000 0.0548 ( 2387 PWs) bands (ev): -13.0647 -13.0647 -8.3469 -8.3469 -7.7436 -7.7436 -7.4596 -7.4596 -6.1055 -6.1055 -6.0152 -6.0152 -3.1590 -3.1590 -2.8939 -2.8939 -2.3440 -2.3440 -0.2873 -0.2873 -0.0052 -0.0052 0.9730 0.9730 2.4194 2.4194 2.8014 2.8014 3.1890 3.1890 3.5718 3.5718 4.5105 4.5105 5.3736 5.3736 7.9492 7.9492 9.0983 9.0983 9.2016 9.2016 9.9847 9.9847 9.9984 9.9984 10.0885 10.0885 15.0114 15.0114 16.8622 16.8622 17.5125 17.5125 17.9846 17.9846 18.0072 18.0072 k = 0.0000 0.0000 0.0411 ( 2379 PWs) bands (ev): -13.0721 -13.0721 -8.3126 -8.3126 -7.7492 -7.7492 -7.4644 -7.4644 -6.1074 -6.1074 -6.0231 -6.0231 -3.1946 -3.1946 -2.8768 -2.8768 -2.3101 -2.3101 -0.2937 -0.2937 -0.0040 -0.0040 0.9379 0.9379 2.3918 2.3918 2.8077 2.8077 3.2041 3.2041 3.5916 3.5916 4.5219 4.5219 5.3650 5.3650 7.9323 7.9323 9.0961 9.0961 9.1958 9.1958 9.9948 9.9948 10.0140 10.0140 10.0954 10.0954 14.9891 14.9891 16.8431 16.8431 17.5009 17.5009 17.9830 17.9830 17.9975 17.9975 k = 0.0000 0.0000 0.0274 ( 2381 PWs) bands (ev): -13.0773 -13.0773 -8.2877 -8.2877 -7.7532 -7.7532 -7.4679 -7.4679 -6.1088 -6.1088 -6.0289 -6.0289 -3.2203 -3.2203 -2.8646 -2.8646 -2.2854 -2.2854 -0.2982 -0.2982 -0.0029 -0.0029 0.9122 0.9122 2.3718 2.3718 2.8123 2.8123 3.2149 3.2149 3.6060 3.6060 4.5301 4.5301 5.3585 5.3585 7.9200 7.9200 9.0945 9.0945 9.1914 9.1914 9.9990 9.9990 10.0286 10.0286 10.1004 10.1004 14.9731 14.9731 16.8293 16.8293 17.4927 17.4927 17.9816 17.9816 17.9906 17.9906 k = 0.0000 0.0000 0.0137 ( 2379 PWs) bands (ev): -13.0805 -13.0805 -8.2725 -8.2725 -7.7556 -7.7556 -7.4699 -7.4699 -6.1096 -6.1096 -6.0326 -6.0326 -3.2358 -3.2358 -2.8572 -2.8572 -2.2703 -2.2703 -0.3010 -0.3010 -0.0022 -0.0022 0.8965 0.8965 2.3597 2.3597 2.8152 2.8152 3.2215 3.2215 3.6147 3.6147 4.5351 4.5351 5.3545 5.3545 7.9126 7.9126 9.0935 9.0935 9.1886 9.1886 10.0011 10.0011 10.0379 10.0379 10.1034 10.1034 14.9635 14.9635 16.8210 16.8210 17.4877 17.4877 17.9804 17.9804 17.9867 17.9867 k = 0.0000 0.0000 0.0000 ( 2379 PWs) bands (ev): -13.0815 -13.0815 -8.2674 -8.2674 -7.7564 -7.7564 -7.4706 -7.4706 -6.1099 -6.1099 -6.0338 -6.0338 -3.2409 -3.2409 -2.8547 -2.8547 -2.2652 -2.2652 -0.3019 -0.3019 -0.0020 -0.0020 0.8912 0.8912 2.3556 2.3556 2.8161 2.8161 3.2237 3.2237 3.6176 3.6176 4.5367 4.5367 5.3532 5.3532 7.9101 7.9101 9.0932 9.0932 9.1877 9.1877 10.0018 10.0018 10.0410 10.0410 10.1044 10.1044 14.9603 14.9603 16.8182 16.8182 17.4860 17.4860 17.9799 17.9799 17.9856 17.9856 k = 0.0000 0.0000 0.0000 ( 2379 PWs) bands (ev): -13.0815 -13.0815 -8.2674 -8.2674 -7.7564 -7.7564 -7.4706 -7.4706 -6.1099 -6.1099 -6.0338 -6.0338 -3.2409 -3.2409 -2.8547 -2.8547 -2.2652 -2.2652 -0.3019 -0.3019 -0.0020 -0.0020 0.8912 0.8912 2.3556 2.3556 2.8161 2.8161 3.2237 3.2237 3.6176 3.6176 4.5367 4.5367 5.3532 5.3532 7.9101 7.9101 9.0932 9.0932 9.1877 9.1877 10.0018 10.0018 10.0410 10.0410 10.1044 10.1044 14.9603 14.9603 16.8182 16.8182 17.4860 17.4860 17.9799 17.9799 17.9856 17.9856 k =-0.0119 0.0070 0.0000 ( 2379 PWs) bands (ev): -13.0807 -13.0807 -8.2684 -8.2683 -7.7589 -7.7589 -7.4701 -7.4700 -6.1121 -6.1120 -6.0325 -6.0324 -3.2430 -3.2430 -2.8497 -2.8496 -2.2632 -2.2632 -0.3002 -0.3002 -0.0022 -0.0022 0.8898 0.8899 2.3544 2.3544 2.8121 2.8126 3.2262 3.2268 3.6191 3.6192 4.5369 4.5370 5.3531 5.3532 7.9129 7.9129 9.0913 9.0913 9.1877 9.1878 9.9920 9.9985 10.0406 10.0474 10.1035 10.1037 14.9622 14.9622 16.8163 16.8164 17.4878 17.4878 17.9240 17.9290 18.0325 18.0378 k =-0.0238 0.0140 0.0000 ( 2389 PWs) bands (ev): -13.0784 -13.0784 -8.2712 -8.2711 -7.7666 -7.7666 -7.4684 -7.4683 -6.1187 -6.1186 -6.0285 -6.0284 -3.2490 -3.2490 -2.8348 -2.8346 -2.2572 -2.2571 -0.2950 -0.2950 -0.0028 -0.0028 0.8858 0.8859 2.3506 2.3506 2.8006 2.8016 3.2341 3.2354 3.6234 3.6236 4.5374 4.5378 5.3528 5.3529 7.9211 7.9213 9.0857 9.0857 9.1880 9.1881 9.9738 9.9827 10.0455 10.0547 10.1008 10.1014 14.9679 14.9680 16.8108 16.8109 17.4929 17.4930 17.8646 17.8695 18.0805 18.0858 k =-0.0357 0.0210 0.0000 ( 2385 PWs) bands (ev): -13.0746 -13.0746 -8.2758 -8.2757 -7.7794 -7.7793 -7.4655 -7.4653 -6.1294 -6.1293 -6.0220 -6.0218 -3.2590 -3.2589 -2.8102 -2.8099 -2.2473 -2.2472 -0.2864 -0.2864 -0.0038 -0.0038 0.8792 0.8793 2.3444 2.3444 2.7827 2.7840 3.2469 3.2487 3.6306 3.6308 4.5384 4.5390 5.3524 5.3526 7.9349 7.9351 9.0763 9.0764 9.1883 9.1886 9.9493 9.9586 10.0515 10.0614 10.0966 10.0975 14.9775 14.9777 16.8021 16.8022 17.5013 17.5015 17.8027 17.8075 18.1237 18.1290 k =-0.0476 0.0279 0.0000 ( 2381 PWs) bands (ev): -13.0693 -13.0693 -8.2822 -8.2821 -7.7971 -7.7971 -7.4615 -7.4613 -6.1439 -6.1437 -6.0129 -6.0127 -3.2725 -3.2725 -2.7762 -2.7759 -2.2337 -2.2335 -0.2745 -0.2745 -0.0052 -0.0050 0.8700 0.8701 2.3359 2.3359 2.7590 2.7606 3.2635 3.2657 3.6404 3.6406 4.5400 4.5407 5.3519 5.3521 7.9539 7.9542 9.0633 9.0634 9.1887 9.1891 9.9187 9.9278 10.0572 10.0673 10.0908 10.0921 14.9910 14.9912 16.7906 16.7908 17.5125 17.5127 17.7389 17.7435 18.1616 18.1669 k =-0.0595 0.0349 0.0000 ( 2379 PWs) bands (ev): -13.0624 -13.0624 -8.2903 -8.2902 -7.8199 -7.8198 -7.4564 -7.4561 -6.1618 -6.1616 -6.0013 -6.0011 -3.2895 -3.2895 -2.7335 -2.7331 -2.2166 -2.2165 -0.2593 -0.2592 -0.0067 -0.0065 0.8583 0.8584 2.3253 2.3253 2.7305 2.7323 3.2831 3.2857 3.6526 3.6529 4.5421 4.5429 5.3511 5.3514 7.9780 7.9784 9.0466 9.0468 9.1888 9.1894 9.8822 9.8909 10.0621 10.0724 10.0837 10.0857 15.0082 15.0085 16.7771 16.7774 17.5261 17.5265 17.6738 17.6781 18.1941 18.1993 k =-0.0714 0.0419 0.0000 ( 2381 PWs) bands (ev): -13.0540 -13.0540 -8.3000 -8.2998 -7.8475 -7.8474 -7.4502 -7.4499 -6.1826 -6.1824 -5.9874 -5.9871 -3.3095 -3.3095 -2.6825 -2.6821 -2.1964 -2.1962 -0.2409 -0.2409 -0.0082 -0.0080 0.8441 0.8442 2.3127 2.3128 2.6980 2.6999 3.3050 3.3079 3.6670 3.6673 4.5447 4.5458 5.3503 5.3506 8.0071 8.0074 9.0265 9.0267 9.1886 9.1894 9.8398 9.8481 10.0647 10.0726 10.0798 10.0800 15.0292 15.0295 16.7622 16.7625 17.5417 17.5423 17.6079 17.6120 18.2208 18.2260 k =-0.0833 0.0489 0.0000 ( 2377 PWs) bands (ev): -13.0442 -13.0442 -8.3111 -8.3110 -7.8798 -7.8798 -7.4429 -7.4425 -6.2057 -6.2055 -5.9713 -5.9710 -3.3323 -3.3323 -2.6242 -2.6236 -2.1734 -2.1731 -0.2197 -0.2196 -0.0095 -0.0093 0.8276 0.8277 2.2985 2.2985 2.6622 2.6641 3.3285 3.3316 3.6832 3.6836 4.5481 4.5493 5.3492 5.3497 8.0407 8.0411 9.0030 9.0032 9.1876 9.1886 9.7919 9.8000 10.0602 10.0630 10.0800 10.0843 15.0539 15.0543 16.7465 16.7468 17.5411 17.5456 17.5599 17.5599 18.2419 18.2469 k =-0.0952 0.0559 0.0000 ( 2377 PWs) bands (ev): -13.0329 -13.0329 -8.3236 -8.3235 -7.9168 -7.9167 -7.4346 -7.4342 -6.2308 -6.2305 -5.9532 -5.9528 -3.3575 -3.3575 -2.5590 -2.5584 -2.1477 -2.1474 -0.1958 -0.1957 -0.0103 -0.0100 0.8088 0.8089 2.2826 2.2827 2.6234 2.6254 3.3532 3.3564 3.7009 3.7013 4.5523 4.5536 5.3481 5.3486 8.0785 8.0790 8.9762 8.9764 9.1851 9.1864 9.7394 9.7471 10.0500 10.0512 10.0845 10.0899 15.0823 15.0827 16.7306 16.7309 17.4756 17.4796 17.5786 17.5791 18.2574 18.2621 k =-0.1071 0.0629 0.0000 ( 2371 PWs) bands (ev): -13.0202 -13.0201 -8.3373 -8.3372 -7.9581 -7.9580 -7.4252 -7.4248 -6.2571 -6.2568 -5.9331 -5.9326 -3.3848 -3.3848 -2.4878 -2.4872 -2.1196 -2.1193 -0.1698 -0.1698 -0.0099 -0.0096 0.7879 0.7880 2.2655 2.2656 2.5822 2.5841 3.3786 3.3820 3.7197 3.7202 4.5573 4.5588 5.3468 5.3474 8.1202 8.1207 8.9464 8.9467 9.1804 9.1820 9.6832 9.6908 10.0374 10.0381 10.0906 10.0960 15.1142 15.1147 16.7151 16.7154 17.4106 17.4143 17.5991 17.5998 18.2673 18.2718 k =-0.1190 0.0698 0.0000 ( 2367 PWs) bands (ev): -13.0060 -13.0060 -8.3521 -8.3519 -8.0035 -8.0035 -7.4149 -7.4145 -6.2844 -6.2841 -5.9113 -5.9108 -3.4140 -3.4140 -2.4115 -2.4108 -2.0895 -2.0892 -0.1428 -0.1428 -0.0072 -0.0069 0.7649 0.7651 2.2473 2.2474 2.5388 2.5407 3.4046 3.4080 3.7392 3.7398 4.5634 4.5650 5.3455 5.3461 8.1653 8.1659 8.9138 8.9140 9.1721 9.1740 9.6249 9.6325 10.0233 10.0237 10.0976 10.1029 15.1496 15.1502 16.7002 16.7005 17.3467 17.3503 17.6210 17.6218 18.2720 18.2763 k =-0.1310 0.0768 0.0000 ( 2375 PWs) bands (ev): -12.9905 -12.9905 -8.3679 -8.3677 -8.0529 -8.0529 -7.4037 -7.4032 -6.3122 -6.3119 -5.8880 -5.8875 -3.4446 -3.4446 -2.3306 -2.3299 -2.0575 -2.0572 -0.1167 -0.1166 -0.0003 0.0001 0.7401 0.7403 2.2282 2.2284 2.4935 2.4953 3.4306 3.4341 3.7591 3.7597 4.5705 4.5722 5.3441 5.3448 8.2133 8.2139 8.8785 8.8788 9.1579 9.1603 9.5670 9.5746 10.0081 10.0083 10.1054 10.1104 15.1884 15.1890 16.6865 16.6867 17.2845 17.2879 17.6443 17.6452 18.2717 18.2757 k =-0.1429 0.0838 0.0000 ( 2379 PWs) bands (ev): -12.9736 -12.9736 -8.3844 -8.3842 -8.1059 -8.1058 -7.3916 -7.3910 -6.3401 -6.3398 -5.8634 -5.8628 -3.4766 -3.4765 -2.2461 -2.2453 -2.0239 -2.0235 -0.0943 -0.0943 0.0139 0.0143 0.7136 0.7138 2.2085 2.2087 2.4466 2.4484 3.4565 3.4600 3.7790 3.7796 4.5790 4.5808 5.3428 5.3435 8.2635 8.2641 8.8410 8.8413 9.1351 9.1378 9.5128 9.5204 9.9920 9.9921 10.1140 10.1188 15.2304 15.2310 16.6740 16.6742 17.2242 17.2274 17.6690 17.6700 18.2666 18.2704 k =-0.1548 0.0908 0.0000 ( 2379 PWs) bands (ev): -12.9554 -12.9554 -8.4016 -8.4014 -8.1622 -8.1621 -7.3786 -7.3780 -6.3679 -6.3676 -5.8376 -5.8370 -3.5095 -3.5094 -2.1587 -2.1578 -1.9887 -1.9883 -0.0783 -0.0782 0.0380 0.0383 0.6855 0.6857 2.1884 2.1885 2.3984 2.4000 3.4821 3.4856 3.7983 3.7990 4.5888 4.5907 5.3417 5.3425 8.3152 8.3158 8.8018 8.8021 9.1000 9.1029 9.4663 9.4737 9.9753 9.9753 10.1236 10.1281 15.2754 15.2761 16.6632 16.6633 17.1663 17.1694 17.6952 17.6963 18.2572 18.2608 k =-0.1667 0.0978 0.0000 ( 2379 PWs) bands (ev): -12.9359 -12.9359 -8.4193 -8.4191 -8.2214 -8.2214 -7.3648 -7.3642 -6.3953 -6.3950 -5.8108 -5.8102 -3.5432 -3.5431 -2.0691 -2.0682 -1.9522 -1.9518 -0.0681 -0.0680 0.0716 0.0720 0.6560 0.6562 2.1679 2.1681 2.3490 2.3506 3.5071 3.5106 3.8168 3.8175 4.6002 4.6021 5.3408 5.3416 8.3673 8.3679 8.7616 8.7618 9.0502 9.0530 9.4305 9.4375 9.9581 9.9582 10.1341 10.1383 15.3233 15.3240 16.6540 16.6542 17.1110 17.1140 17.7231 17.7242 18.2438 18.2471 k =-0.1786 0.1048 0.0000 ( 2377 PWs) bands (ev): -12.9153 -12.9153 -8.4375 -8.4373 -8.2833 -8.2832 -7.3503 -7.3497 -6.4221 -6.4218 -5.7834 -5.7827 -3.5775 -3.5774 -1.9781 -1.9771 -1.9145 -1.9141 -0.0613 -0.0611 0.1125 0.1128 0.6252 0.6255 2.1473 2.1475 2.2987 2.3001 3.5313 3.5347 3.8340 3.8348 4.6133 4.6152 5.3402 5.3411 8.4180 8.4185 8.7219 8.7220 8.9856 8.9881 9.4057 9.4121 9.9410 9.9411 10.1455 10.1496 15.3738 15.3746 16.6468 16.6469 17.0587 17.0615 17.7525 17.7538 18.2267 18.2298 k =-0.1905 0.1117 0.0000 ( 2371 PWs) bands (ev): -12.8935 -12.8934 -8.4559 -8.4557 -8.3474 -8.3473 -7.3350 -7.3344 -6.4483 -6.4480 -5.7554 -5.7547 -3.6121 -3.6120 -1.8864 -1.8854 -1.8758 -1.8753 -0.0555 -0.0554 0.1585 0.1588 0.5933 0.5936 2.1268 2.1270 2.2476 2.2490 3.5544 3.5578 3.8495 3.8503 4.6282 4.6301 5.3402 5.3412 8.4636 8.4638 8.6860 8.6861 8.9083 8.9104 9.3901 9.3958 9.9244 9.9245 10.1580 10.1619 15.4265 15.4273 16.6416 16.6416 17.0097 17.0124 17.7838 17.7851 18.2062 18.2090 k =-0.2024 0.1187 0.0000 ( 2383 PWs) bands (ev): -12.8705 -12.8705 -8.4744 -8.4743 -8.4133 -8.4133 -7.3191 -7.3185 -6.4736 -6.4733 -5.7271 -5.7263 -3.6469 -3.6467 -1.8362 -1.8358 -1.7949 -1.7939 -0.0495 -0.0494 0.2084 0.2088 0.5605 0.5608 2.1064 2.1067 2.1960 2.1973 3.5763 3.5796 3.8628 3.8637 4.6449 4.6468 5.3408 5.3418 8.4945 8.4946 8.6625 8.6631 8.8211 8.8229 9.3809 9.3860 9.9086 9.9087 10.1715 10.1751 15.4812 15.4820 16.6385 16.6385 16.9641 16.9667 17.8167 17.8181 18.1826 18.1852 k =-0.2143 0.1257 0.0000 ( 2383 PWs) bands (ev): -12.8466 -12.8466 -8.4930 -8.4929 -8.4808 -8.4808 -7.3026 -7.3020 -6.4981 -6.4978 -5.6987 -5.6979 -3.6816 -3.6814 -1.7958 -1.7954 -1.7043 -1.7033 -0.0423 -0.0421 0.2616 0.2620 0.5270 0.5273 2.0863 2.0867 2.1441 2.1452 3.5967 3.6000 3.8737 3.8747 4.6635 4.6655 5.3423 5.3433 8.4953 8.4959 8.6665 8.6675 8.7268 8.7282 9.3760 9.3806 9.8942 9.8944 10.1861 10.1895 15.5373 15.5382 16.6379 16.6379 16.9222 16.9247 17.8513 17.8529 18.1563 18.1588 k =-0.2262 0.1327 0.0000 ( 2383 PWs) bands (ev): -12.8217 -12.8217 -8.5494 -8.5494 -8.5116 -8.5114 -7.2856 -7.2850 -6.5216 -6.5214 -5.6704 -5.6695 -3.7160 -3.7158 -1.7549 -1.7544 -1.6155 -1.6144 -0.0331 -0.0329 0.3176 0.3180 0.4930 0.4933 2.0666 2.0671 2.0920 2.0930 3.6157 3.6189 3.8819 3.8828 4.6842 4.6861 5.3447 5.3458 8.4678 8.4685 8.6271 8.6284 8.6963 8.6973 9.3738 9.3780 9.8819 9.8821 10.2016 10.2048 15.5945 15.5954 16.6398 16.6399 16.8843 16.8866 17.8877 17.8893 18.1277 18.1300 k =-0.2381 0.1397 0.0000 ( 2383 PWs) bands (ev): -12.7959 -12.7959 -8.6188 -8.6188 -8.5299 -8.5298 -7.2681 -7.2675 -6.5442 -6.5440 -5.6423 -5.6415 -3.7501 -3.7498 -1.7134 -1.7129 -1.5292 -1.5282 -0.0213 -0.0212 0.3760 0.3764 0.4585 0.4588 2.0394 2.0407 2.0481 2.0483 3.6330 3.6360 3.8869 3.8879 4.7067 4.7086 5.3482 5.3493 8.4269 8.4277 8.5237 8.5247 8.7359 8.7370 9.3734 9.3772 9.8723 9.8725 10.2182 10.2212 15.6521 15.6531 16.6447 16.6448 16.8504 16.8527 17.9255 17.9272 18.0970 18.0991 k =-0.2500 0.1467 0.0000 ( 2381 PWs) bands (ev): -12.7694 -12.7694 -8.6886 -8.6886 -8.5480 -8.5479 -7.2502 -7.2496 -6.5659 -6.5656 -5.6148 -5.6139 -3.7834 -3.7831 -1.6716 -1.6711 -1.4464 -1.4453 -0.0066 -0.0065 0.4238 0.4242 0.4366 0.4371 1.9878 1.9888 2.0295 2.0299 3.6486 3.6515 3.8885 3.8896 4.7312 4.7330 5.3529 5.3541 8.3807 8.3814 8.4175 8.4185 8.7767 8.7777 9.3740 9.3775 9.8663 9.8665 10.2356 10.2384 15.7095 15.7105 16.6529 16.6530 16.8208 16.8230 17.9647 17.9664 18.0645 18.0665 k =-0.2619 0.1536 0.0000 ( 2377 PWs) bands (ev): -12.7422 -12.7422 -8.7585 -8.7584 -8.5658 -8.5657 -7.2321 -7.2315 -6.5865 -6.5863 -5.5880 -5.5871 -3.8160 -3.8157 -1.6296 -1.6291 -1.3677 -1.3667 0.0117 0.0117 0.3892 0.3896 0.4992 0.4996 1.9363 1.9372 2.0119 2.0124 3.6624 3.6652 3.8867 3.8877 4.7574 4.7591 5.3588 5.3601 8.3096 8.3104 8.3322 8.3329 8.8149 8.8159 9.3751 9.3783 9.8644 9.8646 10.2538 10.2565 15.7660 15.7669 16.6649 16.6650 16.7957 16.7978 18.0051 18.0068 18.0305 18.0323 k =-0.2738 0.1606 0.0000 ( 2387 PWs) bands (ev): -12.7144 -12.7144 -8.8281 -8.8280 -8.5832 -8.5830 -7.2137 -7.2131 -6.6062 -6.6059 -5.5620 -5.5611 -3.8475 -3.8472 -1.5876 -1.5871 -1.2941 -1.2930 0.0337 0.0338 0.3548 0.3551 0.5634 0.5638 1.8853 1.8861 1.9951 1.9957 3.6745 3.6772 3.8811 3.8822 4.7852 4.7868 5.3661 5.3674 8.2005 8.2013 8.2829 8.2835 8.8485 8.8494 9.3765 9.3795 9.8674 9.8675 10.2727 10.2752 15.8206 15.8216 16.6811 16.6812 16.7749 16.7770 17.9951 17.9968 18.0462 18.0480 k =-0.2857 0.1676 0.0000 ( 2384 PWs) bands (ev): -12.6862 -12.6862 -8.8970 -8.8970 -8.6000 -8.5999 -7.1952 -7.1946 -6.6248 -6.6246 -5.5372 -5.5362 -3.8779 -3.8776 -1.5457 -1.5452 -1.2260 -1.2250 0.0599 0.0600 0.3208 0.3211 0.6292 0.6296 1.8351 1.8358 1.9794 1.9800 3.6850 3.6875 3.8719 3.8730 4.8144 4.8159 5.3747 5.3759 8.0912 8.0919 8.2335 8.2341 8.8765 8.8773 9.3780 9.3808 9.8756 9.8758 10.2922 10.2945 15.8726 15.8735 16.7021 16.7022 16.7589 16.7608 17.9587 17.9603 18.0879 18.0898 k =-0.2976 0.1746 0.0000 ( 2388 PWs) bands (ev): -12.6578 -12.6577 -8.9650 -8.9650 -8.6163 -8.6162 -7.1766 -7.1760 -6.6425 -6.6423 -5.5135 -5.5125 -3.9070 -3.9067 -1.5041 -1.5036 -1.1641 -1.1631 0.0902 0.0904 0.2873 0.2877 0.6961 0.6965 1.7857 1.7863 1.9647 1.9653 3.6938 3.6962 3.8590 3.8601 4.8447 4.8462 5.3845 5.3858 7.9823 7.9829 8.1845 8.1852 8.8981 8.8988 9.3794 9.3820 9.8894 9.8895 10.3121 10.3143 15.9211 15.9220 16.7284 16.7284 16.7475 16.7493 17.9215 17.9230 18.1297 18.1316 k =-0.3095 0.1816 0.0000 ( 2388 PWs) bands (ev): -12.6291 -12.6291 -9.0317 -9.0317 -8.6320 -8.6319 -7.1582 -7.1576 -6.6591 -6.6589 -5.4912 -5.4902 -3.9346 -3.9342 -1.4631 -1.4626 -1.1086 -1.1077 0.1246 0.1249 0.2547 0.2550 0.7640 0.7644 1.7374 1.7380 1.9511 1.9518 3.7012 3.7034 3.8426 3.8437 4.8759 4.8772 5.3954 5.3967 7.8743 7.8749 8.1365 8.1371 8.9132 8.9139 9.3807 9.3831 9.9086 9.9086 10.3323 10.3342 15.9655 15.9663 16.7405 16.7424 16.7603 16.7604 17.8837 17.8850 18.1712 18.1731 k =-0.3214 0.1886 0.0000 ( 2384 PWs) bands (ev): -12.6005 -12.6005 -9.0968 -9.0968 -8.6470 -8.6469 -7.1399 -7.1393 -6.6748 -6.6746 -5.4704 -5.4694 -3.9606 -3.9602 -1.4227 -1.4222 -1.0596 -1.0588 0.1627 0.1631 0.2230 0.2233 0.8325 0.8329 1.6904 1.6908 1.9387 1.9395 3.7072 3.7092 3.8230 3.8240 4.9076 4.9089 5.4073 5.4086 7.7680 7.7686 8.0898 8.0903 8.9221 8.9227 9.3818 9.3840 9.9327 9.9327 10.3525 10.3543 16.0051 16.0058 16.7384 16.7402 16.7979 16.7980 17.8453 17.8465 18.2120 18.2139 k =-0.3333 0.1956 0.0000 ( 2388 PWs) bands (ev): -12.5722 -12.5722 -9.1600 -9.1600 -8.6612 -8.6611 -7.1219 -7.1214 -6.6895 -6.6893 -5.4512 -5.4502 -3.9849 -3.9845 -1.3833 -1.3828 -1.0170 -1.0162 0.1924 0.1928 0.2040 0.2044 0.9013 0.9016 1.6448 1.6452 1.9276 1.9284 3.7120 3.7138 3.8003 3.8013 4.9395 4.9407 5.4200 5.4213 7.6640 7.6645 8.0446 8.0451 8.9252 8.9258 9.3826 9.3846 9.9609 9.9609 10.3726 10.3743 16.0397 16.0404 16.7409 16.7426 16.8410 16.8412 17.8066 17.8077 18.2517 18.2536 k =-0.3452 0.2025 0.0000 ( 2390 PWs) bands (ev): -12.5442 -12.5442 -9.2209 -9.2209 -8.6747 -8.6746 -7.1043 -7.1038 -6.7031 -6.7030 -5.4336 -5.4327 -4.0073 -4.0069 -1.3451 -1.3446 -0.9804 -0.9798 0.1633 0.1636 0.2476 0.2481 0.9699 0.9702 1.6008 1.6012 1.9178 1.9187 3.7157 3.7173 3.7750 3.7759 4.9713 4.9724 5.4333 5.4345 7.5628 7.5633 8.0012 8.0018 8.9235 8.9240 9.3832 9.3850 9.9922 9.9923 10.3924 10.3939 16.0693 16.0699 16.7479 16.7495 16.8891 16.8894 17.7677 17.7687 18.2898 18.2916 k =-0.3571 0.2095 0.0000 ( 2390 PWs) bands (ev): -12.5169 -12.5168 -9.2791 -9.2791 -8.6873 -8.6872 -7.0873 -7.0868 -6.7158 -6.7157 -5.4178 -5.4169 -4.0279 -4.0275 -1.3083 -1.3078 -0.9495 -0.9489 0.1356 0.1359 0.2927 0.2932 1.0378 1.0381 1.5587 1.5590 1.9094 1.9103 3.7184 3.7199 3.7474 3.7484 5.0026 5.0036 5.4469 5.4481 7.4652 7.4657 7.9600 7.9605 8.9178 8.9182 9.3835 9.3852 10.0257 10.0258 10.4117 10.4131 16.0943 16.0948 16.7592 16.7608 16.9415 16.9418 17.7286 17.7296 18.3260 18.3278 k =-0.3690 0.2165 0.0000 ( 2394 PWs) bands (ev): -12.4904 -12.4903 -9.3344 -9.3344 -8.6990 -8.6990 -7.0710 -7.0705 -6.7275 -6.7274 -5.4038 -5.4029 -4.0465 -4.0461 -1.2731 -1.2726 -0.9235 -0.9230 0.1097 0.1100 0.3382 0.3388 1.1046 1.1049 1.5187 1.5190 1.9023 1.9032 3.7180 3.7188 3.7206 3.7219 5.0331 5.0340 5.4607 5.4618 7.3718 7.3722 7.9212 7.9217 8.9091 8.9094 9.3836 9.3852 10.0603 10.0604 10.4302 10.4315 16.1151 16.1155 16.7747 16.7762 16.9970 16.9974 17.6894 17.6903 18.3599 18.3616 k =-0.3810 0.2235 0.0000 ( 2396 PWs) bands (ev): -12.4649 -12.4649 -9.3864 -9.3864 -8.7099 -8.7098 -7.0555 -7.0551 -6.7382 -6.7381 -5.3914 -5.3906 -4.0632 -4.0628 -1.2398 -1.2394 -0.9020 -0.9015 0.0856 0.0858 0.3832 0.3839 1.1696 1.1698 1.4810 1.4812 1.8966 1.8975 3.6877 3.6886 3.7216 3.7229 5.0625 5.0632 5.4742 5.4753 7.2833 7.2837 7.8850 7.8854 8.8981 8.8984 9.3835 9.3850 10.0950 10.0951 10.4479 10.4491 16.1320 16.1324 16.7941 16.7956 17.0545 17.0550 17.6502 17.6511 18.3912 18.3928 k =-0.3929 0.2305 0.0000 ( 2392 PWs) bands (ev): -12.4409 -12.4408 -9.4348 -9.4348 -8.7198 -8.7197 -7.0409 -7.0405 -6.7479 -6.7478 -5.3808 -5.3800 -4.0779 -4.0775 -1.2088 -1.2083 -0.8843 -0.8839 0.0635 0.0637 0.4268 0.4274 1.2321 1.2322 1.4458 1.4460 1.8922 1.8932 3.6568 3.6576 3.7224 3.7235 5.0902 5.0909 5.4874 5.4885 7.2004 7.2007 7.8516 7.8520 8.8859 8.8861 9.3833 9.3846 10.1290 10.1291 10.4645 10.4656 16.1459 16.1462 16.8171 16.8185 17.1128 17.1133 17.6111 17.6119 18.4196 18.4211 k =-0.4048 0.2375 0.0000 ( 2390 PWs) bands (ev): -12.4184 -12.4183 -9.4792 -9.4792 -8.7287 -8.7287 -7.0274 -7.0271 -6.7565 -6.7564 -5.3717 -5.3710 -4.0908 -4.0904 -1.1801 -1.1797 -0.8698 -0.8695 0.0435 0.0437 0.4680 0.4686 1.2913 1.2914 1.4134 1.4135 1.8891 1.8901 3.6260 3.6267 3.7227 3.7237 5.1162 5.1168 5.5000 5.5009 7.1238 7.1241 7.8212 7.8216 8.8730 8.8732 9.3830 9.3842 10.1613 10.1615 10.4799 10.4808 16.1571 16.1573 16.8434 16.8447 17.1704 17.1709 17.5721 17.5729 18.4450 18.4463 k =-0.4167 0.2444 0.0000 ( 2392 PWs) bands (ev): -12.3977 -12.3977 -9.5194 -9.5194 -8.7367 -8.7366 -7.0152 -7.0149 -6.7642 -6.7641 -5.3641 -5.3635 -4.1018 -4.1015 -1.1541 -1.1538 -0.8581 -0.8578 0.0257 0.0259 0.5060 0.5066 1.3464 1.3464 1.3840 1.3842 1.8872 1.8882 3.5961 3.5968 3.7227 3.7236 5.1399 5.1404 5.5117 5.5125 7.0541 7.0543 7.7940 7.7943 8.8602 8.8604 9.3826 9.3836 10.1914 10.1916 10.4939 10.4946 16.1660 16.1662 16.8723 16.8735 17.2259 17.2265 17.5333 17.5341 18.4672 18.4684 k =-0.4286 0.2514 0.0000 ( 2392 PWs) bands (ev): -12.3792 -12.3792 -9.5549 -9.5549 -8.7436 -8.7435 -7.0042 -7.0040 -6.7708 -6.7708 -5.3579 -5.3574 -4.1111 -4.1108 -1.1311 -1.1308 -0.8488 -0.8486 0.0102 0.0104 0.5402 0.5408 1.3579 1.3580 1.3964 1.3964 1.8864 1.8873 3.5679 3.5685 3.7226 3.7233 5.1612 5.1616 5.5223 5.5230 6.9921 6.9923 7.7701 7.7703 8.8479 8.8481 9.3822 9.3831 10.2187 10.2188 10.5063 10.5069 16.1731 16.1733 16.9033 16.9044 17.2781 17.2786 17.4950 17.4958 18.4862 18.4873 k =-0.4405 0.2584 0.0000 ( 2392 PWs) bands (ev): -12.3630 -12.3630 -9.5856 -9.5856 -8.7495 -8.7494 -6.9948 -6.9945 -6.7765 -6.7764 -5.3530 -5.3525 -4.1188 -4.1185 -1.1112 -1.1109 -0.8415 -0.8413 -0.0030 -0.0028 0.5701 0.5706 1.3354 1.3354 1.4405 1.4406 1.8865 1.8873 3.5421 3.5426 3.7223 3.7229 5.1796 5.1800 5.5316 5.5323 6.9383 6.9385 7.7496 7.7498 8.8368 8.8369 9.3818 9.3825 10.2425 10.2426 10.5170 10.5176 16.1787 16.1788 16.9354 16.9365 17.3254 17.3259 17.4577 17.4584 18.5020 18.5029 k =-0.4524 0.2654 0.0000 ( 2402 PWs) bands (ev): -12.3494 -12.3494 -9.6111 -9.6111 -8.7543 -8.7543 -6.9869 -6.9867 -6.7811 -6.7810 -5.3491 -5.3487 -4.1249 -4.1247 -1.0946 -1.0944 -0.8359 -0.8357 -0.0137 -0.0136 0.5951 0.5955 1.3166 1.3166 1.4779 1.4781 1.8871 1.8879 3.5197 3.5200 3.7219 3.7224 5.1951 5.1954 5.5395 5.5400 6.8934 6.8936 7.7327 7.7329 8.8271 8.8272 9.3814 9.3820 10.2626 10.2627 10.5259 10.5264 16.1829 16.1830 16.9677 16.9686 17.3664 17.3669 17.4219 17.4226 18.5147 18.5154 k =-0.4643 0.2724 0.0000 ( 2410 PWs) bands (ev): -12.3386 -12.3386 -9.6312 -9.6312 -8.7581 -8.7581 -6.9806 -6.9805 -6.7847 -6.7846 -5.3463 -5.3460 -4.1295 -4.1293 -1.0815 -1.0814 -0.8317 -0.8316 -0.0221 -0.0220 0.6148 0.6152 1.3017 1.3017 1.5079 1.5080 1.8882 1.8888 3.5012 3.5015 3.7216 3.7219 5.2074 5.2076 5.5458 5.5462 6.8579 6.8580 7.7194 7.7196 8.8193 8.8194 9.3811 9.3815 10.2785 10.2786 10.5330 10.5333 16.1861 16.1861 16.9982 16.9991 17.3891 17.3896 17.4002 17.4004 18.5244 18.5249 k =-0.4762 0.2794 0.0000 ( 2404 PWs) bands (ev): -12.3307 -12.3307 -9.6456 -9.6456 -8.7608 -8.7608 -6.9761 -6.9760 -6.7872 -6.7872 -5.3443 -5.3441 -4.1327 -4.1326 -1.0721 -1.0720 -0.8289 -0.8288 -0.0281 -0.0280 0.6292 0.6294 1.2910 1.2910 1.5297 1.5298 1.8893 1.8897 3.4876 3.4877 3.7213 3.7216 5.2163 5.2164 5.5505 5.5507 6.8322 6.8323 7.7100 7.7101 8.8135 8.8136 9.3809 9.3812 10.2901 10.2902 10.5382 10.5384 16.1882 16.1883 17.0247 17.0253 17.3615 17.3620 17.4250 17.4252 18.5312 18.5316 k =-0.4881 0.2863 0.0000 ( 2408 PWs) bands (ev): -12.3260 -12.3260 -9.6544 -9.6544 -8.7624 -8.7624 -6.9733 -6.9733 -6.7888 -6.7888 -5.3431 -5.3430 -4.1346 -4.1346 -1.0664 -1.0663 -0.8272 -0.8272 -0.0317 -0.0317 0.6379 0.6380 1.2845 1.2845 1.5430 1.5431 1.8901 1.8903 3.4791 3.4792 3.7212 3.7213 5.2217 5.2217 5.5533 5.5534 6.8167 6.8167 7.7043 7.7043 8.8100 8.8100 9.3808 9.3809 10.2971 10.2972 10.5413 10.5414 16.1895 16.1895 17.0433 17.0437 17.3424 17.3426 17.4404 17.4405 18.5353 18.5355 k =-0.5000 0.2933 0.0000 ( 2414 PWs) bands (ev): -12.3244 -12.3244 -9.6573 -9.6573 -8.7630 -8.7630 -6.9724 -6.9724 -6.7893 -6.7893 -5.3427 -5.3427 -4.1352 -4.1352 -1.0644 -1.0644 -0.8267 -0.8267 -0.0329 -0.0329 0.6408 0.6408 1.2823 1.2823 1.5475 1.5475 1.8905 1.8905 3.4763 3.4763 3.7212 3.7212 5.2235 5.2235 5.5543 5.5543 6.8115 6.8115 7.7024 7.7024 8.8088 8.8088 9.3808 9.3808 10.2995 10.2995 10.5423 10.5423 16.1899 16.1899 17.0503 17.0503 17.3354 17.3354 17.4456 17.4456 18.5367 18.5367 k =-0.5000 0.2933 0.0000 ( 2414 PWs) bands (ev): -12.3244 -12.3244 -9.6573 -9.6573 -8.7630 -8.7630 -6.9724 -6.9724 -6.7893 -6.7893 -5.3427 -5.3427 -4.1352 -4.1352 -1.0644 -1.0644 -0.8267 -0.8267 -0.0329 -0.0329 0.6408 0.6408 1.2823 1.2823 1.5475 1.5475 1.8905 1.8905 3.4763 3.4763 3.7212 3.7212 5.2235 5.2235 5.5543 5.5543 6.8115 6.8115 7.7024 7.7024 8.8088 8.8088 9.3808 9.3808 10.2995 10.2995 10.5423 10.5423 16.1899 16.1899 17.0503 17.0503 17.3354 17.3354 17.4456 17.4456 18.5367 18.5367 k =-0.4932 0.3050-0.0000 ( 2408 PWs) bands (ev): -12.3234 -12.3234 -9.6599 -9.6599 -8.7645 -8.7645 -6.9716 -6.9716 -6.7854 -6.7853 -5.3433 -5.3433 -4.1349 -4.1348 -1.0873 -1.0867 -0.8040 -0.8037 -0.0352 -0.0351 0.6439 0.6441 1.2617 1.2623 1.5666 1.5672 1.8895 1.8895 3.4745 3.4748 3.7254 3.7258 5.2210 5.2219 5.5534 5.5544 6.8092 6.8093 7.7023 7.7023 8.8108 8.8113 9.3814 9.3817 10.2985 10.2985 10.5406 10.5407 16.1906 16.1909 17.0511 17.0511 17.3057 17.3071 17.4755 17.4766 18.5379 18.5379 k =-0.4863 0.3166-0.0000 ( 2410 PWs) bands (ev): -12.3204 -12.3204 -9.6677 -9.6677 -8.7689 -8.7689 -6.9691 -6.9691 -6.7737 -6.7737 -5.3449 -5.3449 -4.1337 -4.1336 -1.1392 -1.1384 -0.7517 -0.7512 -0.0416 -0.0414 0.6532 0.6536 1.2122 1.2132 1.6130 1.6140 1.8863 1.8864 3.4698 3.4704 3.7381 3.7388 5.2145 5.2163 5.5516 5.5536 6.8026 6.8028 7.7019 7.7019 8.8174 8.8184 9.3836 9.3843 10.2956 10.2956 10.5355 10.5356 16.1930 16.1934 17.0533 17.0534 17.2527 17.2546 17.5325 17.5336 18.5416 18.5416 k =-0.4795 0.3283-0.0000 ( 2410 PWs) bands (ev): -12.3155 -12.3155 -9.6808 -9.6808 -8.7758 -8.7758 -6.9649 -6.9649 -6.7547 -6.7546 -5.3477 -5.3476 -4.1317 -4.1315 -1.2019 -1.2009 -0.6893 -0.6888 -0.0504 -0.0502 0.6681 0.6688 1.1491 1.1502 1.6715 1.6726 1.8811 1.8812 3.4631 3.4639 3.7583 3.7593 5.2040 5.2066 5.5491 5.5520 6.7917 6.7921 7.7012 7.7012 8.8283 8.8298 9.3875 9.3885 10.2907 10.2908 10.5270 10.5272 16.1969 16.1976 17.0571 17.0572 17.1969 17.1992 17.5951 17.5961 18.5477 18.5478 k =-0.4727 0.3399-0.0000 ( 2410 PWs) bands (ev): -12.3086 -12.3086 -9.6993 -9.6993 -8.7846 -8.7845 -6.9591 -6.9591 -6.7289 -6.7288 -5.3515 -5.3514 -4.1289 -4.1287 -1.2675 -1.2664 -0.6265 -0.6260 -0.0590 -0.0586 0.6880 0.6890 1.0797 1.0809 1.7346 1.7358 1.8738 1.8739 3.4555 3.4564 3.7850 3.7861 5.1895 5.1929 5.5458 5.5496 6.7770 6.7774 7.7002 7.7002 8.8432 8.8453 9.3931 9.3944 10.2839 10.2840 10.5151 10.5154 16.2024 16.2033 17.0623 17.0625 17.1428 17.1454 17.6590 17.6600 18.5562 18.5564 k =-0.4658 0.3516-0.0000 ( 2401 PWs) bands (ev): -12.2997 -12.2997 -9.7233 -9.7233 -8.7945 -8.7943 -6.9517 -6.9516 -6.6970 -6.6969 -5.3565 -5.3564 -4.1253 -4.1251 -1.3332 -1.3319 -0.5696 -0.5691 -0.0631 -0.0626 0.7121 0.7133 1.0070 1.0082 1.7991 1.8004 1.8644 1.8645 3.4477 3.4487 3.8171 3.8184 5.1712 5.1751 5.5417 5.5463 6.7587 6.7592 7.6988 7.6989 8.8619 8.8645 9.4004 9.4022 10.2753 10.2754 10.5000 10.5003 16.2093 16.2106 17.0687 17.0690 17.0918 17.0948 17.7227 17.7236 18.5672 18.5673 k =-0.4590 0.3632-0.0000 ( 2391 PWs) bands (ev): -12.2888 -12.2888 -9.7529 -9.7528 -8.8046 -8.8045 -6.9425 -6.9424 -6.6599 -6.6597 -5.3625 -5.3624 -4.1210 -4.1207 -1.3975 -1.3961 -0.5246 -0.5240 -0.0574 -0.0567 0.7397 0.7410 0.9325 0.9337 1.8521 1.8525 1.8645 1.8656 3.4404 3.4415 3.8540 3.8554 5.1489 5.1534 5.5369 5.5421 6.7372 6.7378 7.6969 7.6970 8.8838 8.8869 9.4097 9.4118 10.2647 10.2649 10.4816 10.4819 16.2177 16.2192 17.0447 17.0479 17.0767 17.0769 17.7854 17.7862 18.5805 18.5807 k =-0.4522 0.3748-0.0000 ( 2397 PWs) bands (ev): -12.2760 -12.2760 -9.7880 -9.7879 -8.8144 -8.8142 -6.9318 -6.9316 -6.6184 -6.6183 -5.3696 -5.3695 -4.1160 -4.1156 -1.4597 -1.4581 -0.4969 -0.4961 -0.0365 -0.0355 0.7701 0.7717 0.8569 0.8582 1.8390 1.8392 1.9278 1.9291 3.4340 3.4351 3.8951 3.8965 5.1228 5.1278 5.5313 5.5371 6.7130 6.7136 7.6944 7.6946 8.9084 8.9120 9.4209 9.4235 10.2524 10.2525 10.4601 10.4604 16.2272 16.2290 17.0025 17.0061 17.0855 17.0858 17.8464 17.8473 18.5960 18.5963 k =-0.4453 0.3865-0.0000 ( 2401 PWs) bands (ev): -12.2612 -12.2612 -9.8286 -9.8285 -8.8230 -8.8229 -6.9194 -6.9192 -6.5735 -6.5734 -5.3778 -5.3776 -4.1102 -4.1099 -1.5192 -1.5175 -0.4885 -0.4875 0.0020 0.0032 0.7807 0.7819 0.8031 0.8051 1.8232 1.8234 1.9904 1.9917 3.4288 3.4299 3.9398 3.9412 5.0929 5.0983 5.5250 5.5313 6.6867 6.6873 7.6914 7.6916 8.9351 8.9393 9.4343 9.4373 10.2382 10.2383 10.4355 10.4358 16.2379 16.2400 16.9654 16.9694 17.0953 17.0957 17.9056 17.9064 18.6138 18.6141 k =-0.4385 0.3981-0.0000 ( 2405 PWs) bands (ev): -12.2444 -12.2444 -9.8745 -9.8744 -8.8301 -8.8299 -6.9053 -6.9052 -6.5261 -6.5259 -5.3871 -5.3869 -4.1039 -4.1035 -1.5757 -1.5739 -0.4971 -0.4960 0.0557 0.0572 0.7043 0.7055 0.8383 0.8404 1.8052 1.8055 2.0514 2.0528 3.4250 3.4260 3.9879 3.9893 5.0594 5.0651 5.5179 5.5247 6.6586 6.6592 7.6878 7.6880 8.9633 8.9680 9.4501 9.4536 10.2222 10.2223 10.4079 10.4083 16.2496 16.2520 16.9340 16.9384 17.1060 17.1063 17.9625 17.9634 18.6338 18.6342 k =-0.4317 0.4098-0.0000 ( 2409 PWs) bands (ev): -12.2257 -12.2257 -9.9253 -9.9252 -8.8352 -8.8350 -6.8897 -6.8895 -6.4770 -6.4767 -5.3973 -5.3971 -4.0970 -4.0965 -1.6290 -1.6271 -0.5181 -0.5169 0.1202 0.1219 0.6279 0.6291 0.8756 0.8779 1.7851 1.7854 2.1106 2.1119 3.4227 3.4236 4.0389 4.0403 5.0224 5.0283 5.5101 5.5172 6.6292 6.6298 7.6835 7.6838 8.9923 8.9976 9.4684 9.4724 10.2046 10.2046 10.3776 10.3780 16.2623 16.2650 16.9086 16.9134 17.1171 17.1175 18.0172 18.0182 18.6559 18.6563 k =-0.4249 0.4214-0.0000 ( 2413 PWs) bands (ev): -12.2050 -12.2050 -9.9807 -9.9806 -8.8380 -8.8378 -6.8724 -6.8722 -6.4270 -6.4267 -5.4086 -5.4084 -4.0895 -4.0890 -1.6791 -1.6770 -0.5470 -0.5457 0.1912 0.1931 0.5517 0.5529 0.9149 0.9175 1.7628 1.7632 2.1676 2.1689 3.4219 3.4228 4.0927 4.0941 4.9819 4.9880 5.5015 5.5089 6.5990 6.5996 7.6787 7.6789 9.0215 9.0273 9.4896 9.4940 10.1853 10.1853 10.3447 10.3450 16.2760 16.2789 16.8894 16.8946 17.1287 17.1291 18.0696 18.0707 18.6799 18.6804 k =-0.4180 0.4331-0.0000 ( 2413 PWs) bands (ev): -12.1824 -12.1824 -10.0402 -10.0401 -8.8386 -8.8384 -6.8535 -6.8533 -6.3768 -6.3765 -5.4209 -5.4207 -4.0816 -4.0810 -1.7257 -1.7235 -0.5806 -0.5792 0.2654 0.2676 0.4758 0.4771 0.9564 0.9593 1.7384 1.7387 2.2223 2.2236 3.4229 3.4237 4.1490 4.1503 4.9382 4.9445 5.4921 5.4997 6.5684 6.5691 7.6732 7.6735 9.0503 9.0565 9.5137 9.5185 10.1643 10.1644 10.3094 10.3097 16.2905 16.2937 16.8766 16.8821 17.1404 17.1408 18.1198 18.1210 18.7058 18.7063 k =-0.4112 0.4447-0.0000 ( 2409 PWs) bands (ev): -12.1578 -12.1578 -10.1033 -10.1032 -8.8369 -8.8367 -6.8330 -6.8328 -6.3271 -6.3268 -5.4341 -5.4339 -4.0732 -4.0727 -1.7691 -1.7667 -0.6166 -0.6151 0.3407 0.3432 0.4006 0.4018 1.0003 1.0034 1.7117 1.7121 2.2745 2.2758 3.4256 3.4264 4.2074 4.2087 4.8914 4.8977 5.4819 5.4896 6.5380 6.5386 7.6673 7.6676 9.0780 9.0846 9.5408 9.5460 10.1419 10.1421 10.2719 10.2722 16.3060 16.3095 16.8701 16.8759 17.1520 17.1524 18.1679 18.1692 18.7334 18.7341 k =-0.4044 0.4564-0.0000 ( 2413 PWs) bands (ev): -12.1313 -12.1312 -10.1696 -10.1695 -8.8330 -8.8328 -6.8110 -6.8107 -6.2786 -6.2783 -5.4482 -5.4480 -4.0646 -4.0640 -1.8093 -1.8067 -0.6534 -0.6518 0.3261 0.3274 0.4155 0.4181 1.0465 1.0499 1.6828 1.6832 2.3240 2.3253 3.4302 3.4309 4.2677 4.2690 4.8417 4.8481 5.4707 5.4786 6.5080 6.5085 7.6609 7.6612 9.1043 9.1112 9.5709 9.5764 10.1178 10.1182 10.2326 10.2327 16.3226 16.3262 16.8699 16.8759 17.1632 17.1636 18.2140 18.2154 18.7627 18.7634 k =-0.3975 0.4680-0.0000 ( 2413 PWs) bands (ev): -12.1028 -12.1028 -10.2386 -10.2384 -8.8270 -8.8268 -6.7874 -6.7871 -6.2319 -6.2315 -5.4631 -5.4629 -4.0557 -4.0550 -1.8465 -1.8438 -0.6896 -0.6879 0.2525 0.2538 0.4885 0.4913 1.0954 1.0990 1.6517 1.6521 2.3706 2.3719 3.4368 3.4374 4.3297 4.3309 4.7893 4.7957 5.4585 5.4665 6.4788 6.4793 7.6542 7.6545 9.1289 9.1359 9.6040 9.6097 10.0923 10.0929 10.1917 10.1918 16.3405 16.3442 16.8756 16.8818 17.1738 17.1742 18.2583 18.2599 18.7934 18.7942 k =-0.3907 0.4796-0.0000 ( 2415 PWs) bands (ev): -12.0724 -12.0723 -10.3098 -10.3097 -8.8190 -8.8188 -6.7623 -6.7619 -6.1875 -6.1870 -5.4786 -5.4784 -4.0467 -4.0459 -1.8810 -1.8782 -0.7242 -0.7224 0.1800 0.1813 0.5588 0.5619 1.1469 1.1507 1.6184 1.6188 2.4141 2.4153 3.4455 3.4460 4.3931 4.3942 4.7344 4.7407 5.4453 5.4533 6.4509 6.4513 7.6472 7.6476 9.1514 9.1586 9.6398 9.6456 10.0652 10.0662 10.1495 10.1499 16.3598 16.3635 16.8871 16.8933 17.1835 17.1839 18.3012 18.3029 18.8253 18.8263 k =-0.3839 0.4913-0.0000 ( 2415 PWs) bands (ev): -12.0400 -12.0400 -10.3828 -10.3827 -8.8092 -8.8090 -6.7356 -6.7353 -6.1458 -6.1453 -5.4947 -5.4945 -4.0376 -4.0368 -1.9132 -1.9102 -0.7560 -0.7541 0.1087 0.1100 0.6260 0.6292 1.2010 1.2050 1.5828 1.5833 2.4543 2.4555 3.4565 3.4568 4.4576 4.4586 4.6773 4.6836 5.4309 5.4390 6.4245 6.4249 7.6401 7.6405 9.1719 9.1791 9.6779 9.6838 10.0363 10.0378 10.1066 10.1075 16.3807 16.3845 16.9038 16.9101 17.1921 17.1924 18.3427 18.3446 18.8583 18.8594 k =-0.3770 0.5029-0.0000 ( 2415 PWs) bands (ev): -12.0057 -12.0057 -10.4574 -10.4573 -8.7977 -8.7975 -6.7074 -6.7071 -6.1074 -6.1068 -5.5112 -5.5110 -4.0286 -4.0278 -1.9436 -1.9405 -0.7843 -0.7824 0.0389 0.0401 0.6898 0.6930 1.2574 1.2614 1.5450 1.5455 2.4911 2.4923 3.4698 3.4700 4.5229 4.5239 4.6181 4.6244 5.4153 5.4234 6.4001 6.4003 7.6331 7.6335 9.1903 9.1973 9.7180 9.7238 10.0052 10.0075 10.0639 10.0656 16.4033 16.4071 16.9256 16.9318 17.1992 17.1995 18.3830 18.3851 18.8922 18.8934 k =-0.3702 0.5146-0.0000 ( 2413 PWs) bands (ev): -11.9695 -11.9695 -10.5330 -10.5329 -8.7847 -8.7844 -6.6778 -6.6774 -6.0725 -6.0719 -5.5278 -5.5276 -4.0198 -4.0189 -1.9727 -1.9695 -0.8082 -0.8062 -0.0294 -0.0281 0.7499 0.7532 1.3157 1.3197 1.5050 1.5055 2.5242 2.5254 3.4857 3.4858 4.5572 4.5634 4.5890 4.5899 5.3984 5.4065 6.3778 6.3780 7.6263 7.6267 9.2066 9.2135 9.7594 9.7652 9.9712 9.9743 10.0227 10.0252 16.4279 16.4315 16.9519 16.9580 17.2047 17.2049 18.4225 18.4246 18.9266 18.9279 k =-0.3634 0.5262-0.0000 ( 2409 PWs) bands (ev): -11.9314 -11.9314 -10.6095 -10.6094 -8.7702 -8.7700 -6.6467 -6.6464 -6.0417 -6.0410 -5.5444 -5.5442 -4.0113 -4.0103 -2.0012 -1.9979 -0.8268 -0.8248 -0.0960 -0.0947 0.8066 0.8099 1.3752 1.3793 1.4628 1.4633 2.5534 2.5546 3.5042 3.5043 4.4951 4.5012 4.6553 4.6561 5.3800 5.3881 6.3581 6.3582 7.6198 7.6202 9.2209 9.2276 9.8018 9.8074 9.9336 9.9373 9.9844 9.9874 16.4544 16.4579 16.9824 16.9884 17.2083 17.2084 18.4611 18.4634 18.9612 18.9627 k =-0.3565 0.5379-0.0000 ( 2409 PWs) bands (ev): -11.8914 -11.8914 -10.6865 -10.6864 -8.7545 -8.7543 -6.6143 -6.6139 -6.0152 -6.0145 -5.5606 -5.5605 -4.0032 -4.0022 -2.0295 -2.0262 -0.8396 -0.8375 -0.1606 -0.1593 0.8602 0.8634 1.4183 1.4188 1.4354 1.4393 2.5786 2.5798 3.5255 3.5257 4.4318 4.4379 4.7218 4.7224 5.3600 5.3681 6.3411 6.3411 7.6139 7.6143 9.2333 9.2397 9.8447 9.8501 9.8926 9.8966 9.9494 9.9526 16.4828 16.4861 17.0168 17.0227 17.2098 17.2098 18.4990 18.5015 18.9551 18.9553 k =-0.3497 0.5495-0.0000 ( 2413 PWs) bands (ev): -11.8495 -11.8495 -10.7638 -10.7637 -8.7376 -8.7374 -6.5804 -6.5800 -5.9934 -5.9926 -5.5761 -5.5761 -3.9958 -3.9947 -2.0584 -2.0551 -0.8458 -0.8438 -0.2232 -0.2219 0.9110 0.9140 1.3716 1.3722 1.4952 1.4989 2.5995 2.6006 3.5498 3.5501 4.3678 4.3739 4.7881 4.7886 5.3383 5.3464 6.3270 6.3271 7.6088 7.6092 9.2438 9.2500 9.8492 9.8531 9.8874 9.8927 9.9171 9.9202 16.5130 16.5161 17.0549 17.0606 17.2089 17.2089 18.5364 18.5390 18.8703 18.8706 k =-0.3429 0.5612-0.0000 ( 2413 PWs) bands (ev): -11.8057 -11.8057 -10.8412 -10.8411 -8.7198 -8.7195 -6.5452 -6.5448 -5.9765 -5.9756 -5.5907 -5.5906 -3.9891 -3.9880 -2.0882 -2.0849 -0.8452 -0.8432 -0.2835 -0.2821 0.9594 0.9622 1.3228 1.3234 1.5539 1.5574 2.6159 2.6170 3.5773 3.5776 4.3034 4.3095 4.8541 4.8545 5.3148 5.3229 6.3161 6.3164 7.6046 7.6050 9.2526 9.2584 9.8047 9.8084 9.8865 9.8893 9.9297 9.9348 16.5448 16.5477 17.0964 17.1018 17.2055 17.2056 18.5733 18.5760 18.7861 18.7864 k =-0.3360 0.5728-0.0000 ( 2413 PWs) bands (ev): -11.7601 -11.7600 -10.9185 -10.9184 -8.7010 -8.7008 -6.5088 -6.5083 -5.9647 -5.9637 -5.6039 -5.6039 -3.9833 -3.9821 -2.1194 -2.1161 -0.8374 -0.8355 -0.3413 -0.3399 1.0058 1.0085 1.2718 1.2725 1.6108 1.6141 2.6276 2.6286 3.6079 3.6084 4.2391 4.2451 4.9195 4.9198 5.2894 5.2975 6.3088 6.3091 7.6016 7.6021 9.2596 9.2651 9.7599 9.7634 9.8571 9.8598 9.9710 9.9759 16.5779 16.5805 17.1411 17.1462 17.1996 17.1998 18.6098 18.6125 18.7029 18.7033 k =-0.3360 0.5728-0.0000 ( 2413 PWs) bands (ev): -11.7601 -11.7600 -10.9185 -10.9184 -8.7010 -8.7008 -6.5088 -6.5083 -5.9647 -5.9637 -5.6039 -5.6039 -3.9833 -3.9821 -2.1194 -2.1161 -0.8374 -0.8355 -0.3413 -0.3399 1.0058 1.0085 1.2718 1.2725 1.6108 1.6141 2.6276 2.6286 3.6079 3.6084 4.2391 4.2451 4.9195 4.9198 5.2894 5.2975 6.3088 6.3091 7.6016 7.6021 9.2596 9.2651 9.7599 9.7634 9.8571 9.8598 9.9710 9.9759 16.5779 16.5805 17.1411 17.1462 17.1996 17.1998 18.6098 18.6125 18.7029 18.7033 k =-0.3360 0.5728 0.0137 ( 2408 PWs) bands (ev): -11.7590 -11.7590 -10.9176 -10.9175 -8.7009 -8.7007 -6.5164 -6.5160 -5.9667 -5.9657 -5.6057 -5.6056 -3.9754 -3.9742 -2.1193 -2.1161 -0.8322 -0.8303 -0.3394 -0.3380 1.0000 1.0026 1.2707 1.2714 1.6151 1.6184 2.6279 2.6289 3.6055 3.6060 4.2377 4.2437 4.9202 4.9204 5.2888 5.2969 6.3104 6.3107 7.6031 7.6035 9.2606 9.2661 9.7591 9.7626 9.8563 9.8590 9.9705 9.9754 16.5777 16.5804 17.1397 17.1447 17.1973 17.1975 18.6130 18.6157 18.7013 18.7017 k =-0.3360 0.5728 0.0274 ( 2410 PWs) bands (ev): -11.7558 -11.7558 -10.9148 -10.9147 -8.7008 -8.7006 -6.5392 -6.5387 -5.9726 -5.9716 -5.6108 -5.6107 -3.9518 -3.9507 -2.1191 -2.1159 -0.8166 -0.8148 -0.3339 -0.3326 0.9830 0.9855 1.2674 1.2681 1.6275 1.6306 2.6289 2.6299 3.5983 3.5988 4.2334 4.2394 4.9220 4.9222 5.2870 5.2950 6.3150 6.3154 7.6075 7.6080 9.2634 9.2689 9.7567 9.7602 9.8539 9.8566 9.9689 9.9738 16.5772 16.5798 17.1353 17.1404 17.1905 17.1906 18.6226 18.6252 18.6962 18.6965 k =-0.3360 0.5728 0.0411 ( 2412 PWs) bands (ev): -11.7506 -11.7505 -10.9102 -10.9101 -8.7006 -8.7004 -6.5761 -6.5756 -5.9826 -5.9816 -5.6191 -5.6191 -3.9135 -3.9124 -2.1186 -2.1154 -0.7910 -0.7891 -0.3248 -0.3234 0.9564 0.9586 1.2620 1.2626 1.6464 1.6493 2.6305 2.6315 3.5864 3.5869 4.2264 4.2322 4.9250 4.9252 5.2839 5.2918 6.3228 6.3231 7.6148 7.6152 9.2680 9.2735 9.7526 9.7561 9.8500 9.8527 9.9662 9.9711 16.5763 16.5788 17.1285 17.1335 17.1791 17.1793 18.6381 18.6407 18.6878 18.6880 k =-0.3360 0.5728 0.0548 ( 2416 PWs) bands (ev): -11.7432 -11.7432 -10.9037 -10.9036 -8.7003 -8.7001 -6.6259 -6.6255 -5.9965 -5.9955 -5.6305 -5.6304 -3.8619 -3.8608 -2.1176 -2.1146 -0.7556 -0.7539 -0.3120 -0.3106 0.9218 0.9239 1.2543 1.2549 1.6700 1.6727 2.6328 2.6338 3.5703 3.5708 4.2166 4.2224 4.9289 4.9291 5.2794 5.2872 6.3338 6.3340 7.6249 7.6252 9.2744 9.2799 9.7468 9.7502 9.8446 9.8473 9.9624 9.9673 16.5749 16.5774 17.1197 17.1247 17.1634 17.1636 18.6591 18.6616 18.6760 18.6761 k =-0.3360 0.5728 0.0685 ( 2414 PWs) bands (ev): -11.7337 -11.7337 -10.8954 -10.8953 -8.7001 -8.6999 -6.6871 -6.6867 -6.0145 -6.0135 -5.6445 -5.6443 -3.7984 -3.7973 -2.1159 -2.1130 -0.7111 -0.7095 -0.2954 -0.2940 0.8812 0.8831 1.2444 1.2450 1.6964 1.6989 2.6358 2.6368 3.5503 3.5507 4.2043 4.2100 4.9336 4.9337 5.2734 5.2811 6.3479 6.3481 7.6375 7.6378 9.2826 9.2880 9.7391 9.7425 9.8379 9.8405 9.9575 9.9624 16.5730 16.5755 17.1098 17.1147 17.1434 17.1435 18.6602 18.6605 18.6850 18.6878 k =-0.3360 0.5728 0.0822 ( 2412 PWs) bands (ev): -11.7221 -11.7221 -10.8853 -10.8852 -8.6999 -8.6997 -6.7581 -6.7577 -6.0365 -6.0355 -5.6607 -5.6606 -3.7248 -3.7237 -2.1133 -2.1105 -0.6581 -0.6566 -0.2752 -0.2738 0.8360 0.8377 1.2323 1.2330 1.7242 1.7265 2.6395 2.6406 3.5267 3.5272 4.1897 4.1953 4.9389 4.9389 5.2657 5.2733 6.3652 6.3653 7.6525 7.6527 9.2924 9.2977 9.7295 9.7328 9.8299 9.8325 9.9516 9.9564 16.5705 16.5729 17.0996 17.1044 17.1194 17.1195 18.6413 18.6418 18.7149 18.7176 k =-0.3360 0.5728 0.0959 ( 2413 PWs) bands (ev): -11.7084 -11.7083 -10.8733 -10.8732 -8.6999 -8.6997 -6.8374 -6.8370 -6.0623 -6.0614 -5.6790 -5.6788 -3.6426 -3.6416 -2.1095 -2.1069 -0.5973 -0.5958 -0.2513 -0.2498 0.7874 0.7889 1.2181 1.2187 1.7520 1.7541 2.6440 2.6451 3.5002 3.5006 4.1729 4.1783 4.9444 4.9445 5.2561 5.2635 6.3856 6.3856 7.6696 7.6698 9.3037 9.3090 9.7179 9.7211 9.8208 9.8233 9.9445 9.9493 16.5673 16.5697 17.0895 17.0912 17.0918 17.0949 18.6189 18.6197 18.7480 18.7506 k =-0.3360 0.5728 0.1096 ( 2415 PWs) bands (ev): -11.6926 -11.6925 -10.8595 -10.8594 -8.7001 -8.6999 -6.9235 -6.9232 -6.0920 -6.0910 -5.6988 -5.6986 -3.5534 -3.5524 -2.1045 -2.1020 -0.5293 -0.5280 -0.2236 -0.2222 0.7364 0.7377 1.2017 1.2024 1.7790 1.7809 2.6493 2.6504 3.4711 3.4715 4.1541 4.1593 4.9500 4.9501 5.2444 5.2517 6.4091 6.4091 7.6886 7.6888 9.3164 9.3217 9.7042 9.7073 9.8105 9.8129 9.9363 9.9411 16.5636 16.5659 17.0599 17.0599 17.0816 17.0862 18.5935 18.5944 18.7835 18.7861 k =-0.3360 0.5728 0.1234 ( 2409 PWs) bands (ev): -11.6746 -11.6746 -10.8439 -10.8438 -8.7006 -8.7004 -7.0152 -7.0148 -6.1252 -6.1242 -5.7199 -5.7197 -3.4586 -3.4575 -2.0978 -2.0955 -0.4550 -0.4538 -0.1922 -0.1907 0.6836 0.6849 1.1833 1.1839 1.8044 1.8061 2.6554 2.6566 3.4400 3.4404 4.1335 4.1386 4.9555 4.9557 5.2305 5.2375 6.4356 6.4357 7.7094 7.7095 9.3304 9.3356 9.6886 9.6915 9.7992 9.8015 9.9270 9.9318 16.5595 16.5616 17.0252 17.0252 17.0751 17.0797 18.5651 18.5663 18.8204 18.8230 k =-0.3360 0.5728 0.1371 ( 2409 PWs) bands (ev): -11.6546 -11.6546 -10.8265 -10.8264 -8.7016 -8.7014 -7.1113 -7.1110 -6.1615 -6.1606 -5.7422 -5.7420 -3.3592 -3.3582 -2.0896 -2.0874 -0.3751 -0.3741 -0.1570 -0.1556 0.6298 0.6310 1.1628 1.1634 1.8276 1.8292 2.6624 2.6636 3.4075 3.4078 4.1113 4.1163 4.9607 4.9610 5.2140 5.2208 6.4652 6.4654 7.7315 7.7315 9.3456 9.3506 9.6709 9.6737 9.7867 9.7889 9.9166 9.9213 16.5550 16.5570 16.9876 16.9876 17.0713 17.0757 18.5341 18.5355 18.8579 18.8605 k =-0.3360 0.5728 0.1508 ( 2413 PWs) bands (ev): -11.6325 -11.6325 -10.8073 -10.8072 -8.7032 -8.7030 -7.2111 -7.2108 -6.2006 -6.1997 -5.7654 -5.7652 -3.2565 -3.2555 -2.0796 -2.0775 -0.2906 -0.2896 -0.1182 -0.1168 0.5756 0.5767 1.1404 1.1410 1.8483 1.8498 2.6703 2.6715 3.3739 3.3742 4.0878 4.0926 4.9655 4.9658 5.1948 5.2014 6.4976 6.4979 7.7547 7.7547 9.3616 9.3666 9.6514 9.6540 9.7731 9.7752 9.9050 9.9097 16.5505 16.5523 16.9477 16.9477 17.0703 17.0746 18.5008 18.5023 18.8951 18.8977 k =-0.3360 0.5728 0.1645 ( 2406 PWs) bands (ev): -11.6083 -11.6083 -10.7863 -10.7862 -8.7056 -8.7054 -7.3136 -7.3134 -6.2419 -6.2410 -5.7895 -5.7892 -3.1512 -3.1503 -2.0677 -2.0658 -0.2022 -0.2013 -0.0759 -0.0744 0.5214 0.5225 1.1163 1.1169 1.8663 1.8677 2.6792 2.6804 3.3398 3.3400 4.0631 4.0678 4.9696 4.9700 5.1727 5.1791 6.5328 6.5332 7.7788 7.7789 9.3784 9.3833 9.6301 9.6325 9.7583 9.7603 9.8923 9.8969 16.5465 16.5481 16.9059 16.9059 17.0726 17.0767 18.4654 18.4670 18.9312 18.9338 k =-0.3360 0.5728 0.1782 ( 2408 PWs) bands (ev): -11.5820 -11.5820 -10.7636 -10.7635 -8.7088 -8.7086 -7.4183 -7.4181 -6.2850 -6.2841 -5.8144 -5.8141 -3.0442 -3.0433 -2.0540 -2.0522 -0.1115 -0.1106 -0.0301 -0.0285 0.4682 0.4693 1.0907 1.0912 1.8815 1.8828 2.6890 2.6902 3.3055 3.3057 4.0374 4.0419 4.9728 4.9733 5.1475 5.1537 6.5708 6.5712 7.8035 7.8037 9.3958 9.4006 9.6072 9.6095 9.7422 9.7441 9.8783 9.8830 16.5434 16.5448 16.8628 16.8629 17.0781 17.0821 18.4283 18.4300 18.9654 18.9680 k =-0.3360 0.5728 0.1919 ( 2406 PWs) bands (ev): -11.5536 -11.5536 -10.7391 -10.7390 -8.7132 -8.7130 -7.5246 -7.5244 -6.3292 -6.3284 -5.8400 -5.8398 -2.9362 -2.9352 -2.0384 -2.0367 -0.0204 -0.0196 0.0189 0.0204 0.4177 0.4188 1.0639 1.0644 1.8938 1.8949 2.6998 2.7011 3.2716 3.2717 4.0109 4.0151 4.9750 4.9756 5.1191 5.1250 6.6113 6.6118 7.8288 7.8290 9.4135 9.4182 9.5830 9.5851 9.7247 9.7266 9.8633 9.8678 16.5416 16.5428 16.8191 16.8192 17.0869 17.0907 18.3896 18.3914 18.9968 18.9995 k =-0.3360 0.5728 0.2056 ( 2402 PWs) bands (ev): -11.5231 -11.5231 -10.7128 -10.7127 -8.7188 -8.7186 -7.6320 -7.6318 -6.3740 -6.3732 -5.8665 -5.8662 -2.8277 -2.8267 -2.0209 -2.0193 0.0661 0.0670 0.0707 0.0722 0.3741 0.3753 1.0364 1.0370 1.9033 1.9043 2.7116 2.7129 3.2384 3.2385 3.9836 3.9877 4.9760 4.9767 5.0872 5.0929 6.6542 6.6548 7.8542 7.8545 9.4313 9.4359 9.5576 9.5596 9.7059 9.7077 9.8470 9.8515 16.5417 16.5427 16.7754 16.7754 17.0987 17.1024 18.3496 18.3514 19.0096 19.0108 k =-0.3360 0.5728 0.2193 ( 2404 PWs) bands (ev): -11.4906 -11.4906 -10.6849 -10.6848 -8.7260 -8.7258 -7.7402 -7.7400 -6.4188 -6.4180 -5.8937 -5.8934 -2.7192 -2.7183 -2.0015 -2.0000 0.1244 0.1260 0.1336 0.1345 0.3514 0.3527 1.0090 1.0096 1.9101 1.9110 2.7245 2.7258 3.2063 3.2064 3.9557 3.9596 4.9755 4.9762 5.0518 5.0573 6.6994 6.7001 7.8798 7.8801 9.4490 9.4535 9.5312 9.5330 9.6856 9.6874 9.8295 9.8339 16.5440 16.5449 16.7323 16.7323 17.1136 17.1172 18.3086 18.3104 18.9798 18.9812 k =-0.3360 0.5728 0.2330 ( 2408 PWs) bands (ev): -11.4560 -11.4559 -10.6552 -10.6551 -8.7348 -8.7347 -7.8487 -7.8486 -6.4630 -6.4622 -5.9216 -5.9214 -2.6112 -2.6103 -1.9802 -1.9788 0.1523 0.1529 0.1794 0.1809 0.3792 0.3802 0.9828 0.9833 1.9144 1.9153 2.7384 2.7397 3.1758 3.1758 3.9272 3.9310 4.9732 4.9740 5.0126 5.0180 6.7467 6.7475 7.9053 7.9056 9.4663 9.4707 9.5041 9.5058 9.6640 9.6657 9.8108 9.8152 16.5492 16.5499 16.6905 16.6905 17.1311 17.1347 18.2667 18.2686 18.9510 18.9525 k =-0.3360 0.5728 0.2467 ( 2406 PWs) bands (ev): -11.4193 -11.4192 -10.6239 -10.6238 -8.7456 -8.7455 -7.9574 -7.9573 -6.5060 -6.5053 -5.9503 -5.9501 -2.5041 -2.5032 -1.9570 -1.9557 0.1253 0.1255 0.2337 0.2352 0.4534 0.4542 0.9595 0.9599 1.9165 1.9173 2.7533 2.7547 3.1473 3.1474 3.8984 3.9020 4.9681 4.9691 4.9707 4.9756 6.7960 6.7968 7.9306 7.9310 9.4761 9.4777 9.4833 9.4877 9.6410 9.6427 9.7910 9.7953 16.5574 16.5579 16.6507 16.6508 17.1512 17.1546 18.2241 18.2260 18.9239 18.9254 k =-0.3360 0.5728 0.2604 ( 2400 PWs) bands (ev): -11.3805 -11.3805 -10.5909 -10.5908 -8.7585 -8.7584 -8.0660 -8.0659 -6.5474 -6.5467 -5.9798 -5.9796 -2.3982 -2.3973 -1.9320 -1.9307 0.0806 0.0806 0.2851 0.2864 0.5452 0.5458 0.9416 0.9419 1.9168 1.9175 2.7692 2.7706 3.1212 3.1214 3.8692 3.8726 4.9230 4.9277 4.9625 4.9636 6.8471 6.8480 7.9556 7.9559 9.4483 9.4498 9.4990 9.5033 9.6167 9.6185 9.7702 9.7743 16.5689 16.5693 16.6136 16.6137 17.1735 17.1769 18.1810 18.1829 18.8987 18.9003 k =-0.3360 0.5728 0.2741 ( 2400 PWs) bands (ev): -11.3397 -11.3397 -10.5562 -10.5561 -8.7738 -8.7736 -8.1743 -8.1742 -6.5866 -6.5860 -6.0100 -6.0098 -2.2937 -2.2928 -1.9052 -1.9040 0.0297 0.0298 0.3298 0.3310 0.6420 0.6426 0.9327 0.9328 1.9154 1.9160 2.7861 2.7876 3.0982 3.0985 3.8396 3.8429 4.8724 4.8769 4.9533 4.9544 6.8998 6.9008 7.9800 7.9804 9.4202 9.4216 9.5138 9.5180 9.5913 9.5931 9.7482 9.7523 16.5788 16.5795 16.5843 16.5849 17.1978 17.2011 18.1375 18.1394 18.8753 18.8768 k =-0.3360 0.5728 0.2878 ( 2400 PWs) bands (ev): -11.2968 -11.2968 -10.5200 -10.5199 -8.7916 -8.7914 -8.2821 -8.2820 -6.6232 -6.6227 -6.0409 -6.0406 -2.1908 -2.1899 -1.8766 -1.8755 -0.0236 -0.0234 0.3634 0.3644 0.7397 0.7403 0.9372 0.9373 1.9127 1.9133 2.8040 2.8055 3.0788 3.0792 3.8097 3.8129 4.8178 4.8221 4.9411 4.9422 6.9540 6.9551 8.0039 8.0042 9.3923 9.3935 9.5273 9.5314 9.5649 9.5667 9.7254 9.7294 16.5495 16.5495 16.6027 16.6027 17.2236 17.2269 18.0936 18.0955 18.8533 18.8548 k =-0.3360 0.5728 0.3015 ( 2404 PWs) bands (ev): -11.2519 -11.2519 -10.4823 -10.4822 -8.8121 -8.8119 -8.3892 -8.3891 -6.6569 -6.6564 -6.0724 -6.0722 -2.0898 -2.0889 -1.8463 -1.8453 -0.0780 -0.0778 0.3815 0.3823 0.8360 0.8366 0.9594 0.9598 1.9090 1.9095 2.8228 2.8243 3.0636 3.0641 3.7796 3.7826 4.7594 4.7634 4.9257 4.9269 7.0096 7.0107 8.0270 8.0273 9.3646 9.3658 9.5369 9.5383 9.5398 9.5443 9.7019 9.7058 16.5237 16.5237 16.6248 16.6249 17.2508 17.2541 18.0493 18.0512 18.8324 18.8338 k =-0.3360 0.5728 0.3152 ( 2402 PWs) bands (ev): -11.2049 -11.2049 -10.4430 -10.4429 -8.8353 -8.8352 -8.4956 -8.4954 -6.6873 -6.6868 -6.1045 -6.1043 -1.9906 -1.9897 -1.8144 -1.8134 -0.1330 -0.1328 0.3825 0.3829 0.9295 0.9302 1.0010 1.0017 1.9047 1.9051 2.8425 2.8441 3.0535 3.0541 3.7491 3.7520 4.6971 4.7009 4.9067 4.9079 7.0662 7.0674 8.0492 8.0495 9.3376 9.3387 9.5095 9.5111 9.5494 9.5536 9.6778 9.6816 16.5027 16.5028 16.6504 16.6506 17.2787 17.2820 18.0046 18.0065 18.8122 18.8134 k =-0.3360 0.5728 0.3289 ( 2398 PWs) bands (ev): -11.1559 -11.1559 -10.4022 -10.4021 -8.8615 -8.8614 -8.6010 -8.6009 -6.7140 -6.7136 -6.1372 -6.1370 -1.8934 -1.8925 -1.7808 -1.7799 -0.1883 -0.1881 0.3674 0.3677 1.0191 1.0198 1.0607 1.0617 1.8998 1.9001 2.8630 2.8646 3.0493 3.0500 3.7183 3.7210 4.6309 4.6345 4.8840 4.8852 7.1238 7.1251 8.0702 8.0705 9.3113 9.3123 9.4810 9.4826 9.5574 9.5616 9.6536 9.6574 16.4870 16.4871 16.6794 16.6797 17.3071 17.3104 17.9593 17.9612 18.7923 18.7933 k =-0.3360 0.5728 0.3426 ( 2396 PWs) bands (ev): -11.1049 -11.1049 -10.3599 -10.3598 -8.8907 -8.8906 -8.7054 -8.7053 -6.7370 -6.7366 -6.1703 -6.1701 -1.7982 -1.7974 -1.7456 -1.7448 -0.2439 -0.2436 0.3396 0.3396 1.1036 1.1045 1.1353 1.1364 1.8945 1.8948 2.8843 2.8859 3.0517 3.0525 3.6872 3.6897 4.5611 4.5644 4.8571 4.8584 7.1822 7.1835 8.0900 8.0902 9.2861 9.2869 9.4522 9.4538 9.5627 9.5670 9.6299 9.6335 16.4768 16.4770 16.7116 16.7120 17.3352 17.3386 17.9132 17.9151 18.7725 18.7734 k =-0.3360 0.5728 0.3563 ( 2396 PWs) bands (ev): -11.0519 -11.0518 -10.3162 -10.3162 -8.9228 -8.9227 -8.8087 -8.8086 -6.7561 -6.7557 -6.2038 -6.2036 -1.7091 -1.7082 -1.7049 -1.7041 -0.2995 -0.2992 0.3021 0.3022 1.1823 1.1832 1.2211 1.2225 1.8889 1.8891 2.9062 2.9078 3.0615 3.0625 3.6557 3.6581 4.4878 4.4908 4.8260 4.8274 7.2411 7.2424 8.1081 8.1082 9.2620 9.2627 9.4234 9.4250 9.5644 9.5685 9.6081 9.6115 16.4725 16.4727 16.7466 16.7472 17.3626 17.3660 17.8660 17.8679 18.7525 18.7532 k =-0.3360 0.5728 0.3701 ( 2398 PWs) bands (ev): -10.9968 -10.9968 -10.2712 -10.2711 -8.9577 -8.9577 -8.9108 -8.9107 -6.7712 -6.7709 -6.2376 -6.2375 -1.6708 -1.6701 -1.6138 -1.6129 -0.3551 -0.3549 0.2576 0.2578 1.2544 1.2554 1.3156 1.3171 1.8830 1.8831 2.9286 2.9303 3.0796 3.0807 3.6238 3.6260 4.4111 4.4140 4.7905 4.7919 7.3004 7.3018 8.1242 8.1243 9.2393 9.2399 9.3948 9.3964 9.5595 9.5623 9.5926 9.5946 16.4742 16.4745 16.7843 16.7849 17.3886 17.3919 17.8175 17.8193 18.7325 18.7330 k =-0.3360 0.5728 0.3838 ( 2396 PWs) bands (ev): -10.9398 -10.9398 -10.2249 -10.2248 -9.0117 -9.0116 -8.9955 -8.9955 -6.7823 -6.7820 -6.2717 -6.2715 -1.6312 -1.6305 -1.5244 -1.5236 -0.4108 -0.4106 0.2078 0.2081 1.3195 1.3205 1.4167 1.4183 1.8766 1.8766 2.9513 2.9530 3.1064 3.1076 3.5914 3.5934 4.3315 4.3341 4.7505 4.7519 7.3598 7.3612 8.1380 8.1381 9.2181 9.2186 9.3665 9.3681 9.5454 9.5461 9.5854 9.5857 16.4821 16.4824 16.8242 16.8250 17.4123 17.4157 17.7673 17.7691 18.7125 18.7128 k =-0.3360 0.5728 0.3975 ( 2396 PWs) bands (ev): -10.8808 -10.8807 -10.1774 -10.1773 -9.1112 -9.1111 -9.0360 -9.0359 -6.7894 -6.7891 -6.3058 -6.3056 -1.5903 -1.5896 -1.4369 -1.4361 -0.4665 -0.4662 0.1541 0.1544 1.3775 1.3785 1.5228 1.5245 1.8694 1.8695 2.9741 2.9758 3.1423 3.1435 3.5584 3.5603 4.2493 4.2516 4.7058 4.7072 7.4191 7.4206 8.1491 8.1493 9.1987 9.1991 9.3389 9.3405 9.5266 9.5268 9.5801 9.5814 16.4962 16.4965 16.8660 16.8669 17.4330 17.4364 17.7151 17.7168 18.6928 18.6929 k =-0.3360 0.5728 0.4112 ( 2397 PWs) bands (ev): -10.8198 -10.8197 -10.1286 -10.1285 -9.2093 -9.2092 -9.0789 -9.0789 -6.7926 -6.7924 -6.3399 -6.3398 -1.5480 -1.5474 -1.3511 -1.3503 -0.5221 -0.5218 0.0972 0.0976 1.4286 1.4296 1.6328 1.6345 1.8613 1.8615 2.9965 2.9982 3.1870 3.1884 3.5251 3.5267 4.1652 4.1671 4.6565 4.6580 7.4781 7.4796 8.1569 8.1573 9.1812 9.1815 9.3122 9.3137 9.5074 9.5079 9.5748 9.5765 16.5165 16.5168 16.9094 16.9104 17.4499 17.4533 17.6605 17.6623 18.6736 18.6736 k =-0.3360 0.5728 0.4249 ( 2397 PWs) bands (ev): -10.7568 -10.7567 -10.0788 -10.0787 -9.3060 -9.3059 -9.1241 -9.1241 -6.7921 -6.7919 -6.3739 -6.3738 -1.5045 -1.5039 -1.2669 -1.2661 -0.5776 -0.5774 0.0377 0.0381 1.4733 1.4743 1.7457 1.7475 1.8521 1.8524 3.0179 3.0196 3.2403 3.2418 3.4913 3.4928 4.0797 4.0813 4.6027 4.6041 7.5366 7.5381 8.1612 8.1616 9.1658 9.1659 9.2865 9.2879 9.4901 9.4906 9.5682 9.5702 16.5428 16.5432 16.9538 16.9550 17.4624 17.4658 17.6035 17.6052 18.6554 18.6555 k =-0.3360 0.5728 0.4386 ( 2398 PWs) bands (ev): -10.6918 -10.6918 -10.0279 -10.0278 -9.4012 -9.4011 -9.1714 -9.1714 -6.7880 -6.7879 -6.4077 -6.4076 -1.4598 -1.4592 -1.1843 -1.1835 -0.6331 -0.6328 -0.0239 -0.0234 1.5124 1.5134 1.8416 1.8419 1.8608 1.8626 3.0372 3.0388 3.3015 3.3030 3.4577 3.4590 3.9938 3.9950 4.5443 4.5458 7.5943 7.5958 8.1614 8.1620 9.1525 9.1525 9.2621 9.2635 9.4752 9.4756 9.5602 9.5623 16.5751 16.5756 16.9990 17.0003 17.4699 17.4732 17.5438 17.5455 18.6388 18.6390 k =-0.3360 0.5728 0.4523 ( 2401 PWs) bands (ev): -10.6250 -10.6249 -9.9760 -9.9759 -9.4948 -9.4947 -9.2205 -9.2204 -6.7806 -6.7805 -6.4411 -6.4410 -1.4139 -1.4134 -1.1031 -1.1024 -0.6883 -0.6880 -0.0873 -0.0869 1.5466 1.5477 1.8298 1.8302 1.9771 1.9790 3.0524 3.0538 3.3695 3.3710 3.4253 3.4264 3.9087 3.9095 4.4816 4.4831 7.6509 7.6525 8.1572 8.1579 9.1413 9.1414 9.2391 9.2405 9.4633 9.4635 9.5508 9.5528 16.6131 16.6136 17.0446 17.0459 17.4719 17.4749 17.4817 17.4834 18.6242 18.6245 k =-0.3360 0.5728 0.4660 ( 2403 PWs) bands (ev): -10.5562 -10.5561 -9.9233 -9.9232 -9.5868 -9.5868 -9.2712 -9.2711 -6.7700 -6.7699 -6.4740 -6.4739 -1.3670 -1.3665 -1.0233 -1.0226 -0.7434 -0.7430 -0.1524 -0.1519 1.5770 1.5780 1.8166 1.8171 2.0940 2.0960 3.0603 3.0614 3.3963 3.3973 3.4432 3.4448 3.8259 3.8262 4.4148 4.4163 7.7063 7.7079 8.1482 8.1491 9.1326 9.1328 9.2178 9.2191 9.4546 9.4546 9.5401 9.5420 16.6565 16.6570 17.0900 17.0915 17.4170 17.4185 17.4683 17.4715 18.6123 18.6125 k =-0.3360 0.5728 0.4797 ( 2401 PWs) bands (ev): -10.4855 -10.4854 -9.8699 -9.8698 -9.6773 -9.6772 -9.3232 -9.3231 -6.7565 -6.7564 -6.5063 -6.5062 -1.3191 -1.3185 -0.9447 -0.9440 -0.7981 -0.7978 -0.2188 -0.2183 1.6043 1.6053 1.8021 1.8027 2.2107 2.2128 3.0558 3.0564 3.3746 3.3757 3.5216 3.5232 3.7467 3.7469 4.3440 4.3455 7.7601 7.7617 8.1344 8.1355 9.1262 9.1265 9.1982 9.1995 9.4491 9.4494 9.5284 9.5303 16.7049 16.7056 17.1350 17.1366 17.3504 17.3518 17.4590 17.4620 18.6033 18.6035 k =-0.3360 0.5728 0.4934 ( 2403 PWs) bands (ev): -10.4129 -10.4128 -9.8158 -9.8157 -9.7660 -9.7660 -9.3763 -9.3763 -6.7402 -6.7401 -6.5377 -6.5377 -1.2701 -1.2697 -0.8674 -0.8667 -0.8526 -0.8523 -0.2866 -0.2860 1.6293 1.6302 1.7865 1.7871 2.3264 2.3285 3.0331 3.0332 3.3648 3.3661 3.6034 3.6050 3.6728 3.6734 4.2696 4.2712 7.8120 7.8136 8.1156 8.1168 9.1224 9.1228 9.1806 9.1818 9.4471 9.4475 9.5160 9.5178 16.7580 16.7587 17.1791 17.1809 17.2822 17.2835 17.4441 17.4471 18.5976 18.5978 k =-0.3360 0.5728 0.5071 ( 2401 PWs) bands (ev): -10.3384 -10.3383 -9.8531 -9.8530 -9.7611 -9.7610 -9.4303 -9.4303 -6.7215 -6.7214 -6.5682 -6.5682 -1.2204 -1.2199 -0.9068 -0.9064 -0.7911 -0.7905 -0.3555 -0.3549 1.6524 1.6533 1.7698 1.7704 2.4400 2.4421 2.9890 2.9897 3.3692 3.3708 3.6056 3.6067 3.6876 3.6892 4.1921 4.1936 7.8616 7.8633 8.0919 8.0932 9.1210 9.1216 9.1651 9.1662 9.4483 9.4490 9.5033 9.5051 16.8152 16.8160 17.2129 17.2143 17.2220 17.2237 17.4241 17.4269 18.5954 18.5955 k =-0.3360 0.5728 0.5208 ( 2404 PWs) bands (ev): -10.2620 -10.2620 -9.9384 -9.9384 -9.7061 -9.7060 -9.4850 -9.4849 -6.7004 -6.7004 -6.5976 -6.5976 -1.1697 -1.1693 -0.9605 -0.9601 -0.7160 -0.7153 -0.4255 -0.4249 1.6742 1.6750 1.7522 1.7529 2.5505 2.5526 2.9256 2.9268 3.3866 3.3883 3.5461 3.5476 3.7731 3.7747 4.1117 4.1132 7.9087 7.9103 8.0634 8.0649 9.1222 9.1229 9.1518 9.1528 9.4525 9.4534 9.4908 9.4924 16.8761 16.8769 17.1436 17.1447 17.2628 17.2649 17.3994 17.4020 18.5969 18.5969 k =-0.3360 0.5728 0.5345 ( 2406 PWs) bands (ev): -10.1838 -10.1838 -10.0220 -10.0219 -9.6508 -9.6507 -9.5400 -9.5400 -6.6773 -6.6773 -6.6257 -6.6257 -1.1184 -1.1180 -1.0137 -1.0133 -0.6418 -0.6412 -0.4966 -0.4960 1.6949 1.6957 1.7338 1.7346 2.6564 2.6584 2.8466 2.8482 3.4143 3.4161 3.4945 3.4961 3.8590 3.8606 4.0290 4.0305 7.9528 7.9544 8.0305 8.0320 9.1259 9.1267 9.1408 9.1417 9.4593 9.4604 9.4790 9.4805 16.9400 16.9409 17.0744 17.0755 17.3015 17.3037 17.3703 17.3728 18.6019 18.6020 k =-0.3360 0.5728 0.5482 ( 2410 PWs) bands (ev): -10.1038 -10.1038 -10.1038 -10.1037 -9.5954 -9.5954 -9.5953 -9.5953 -6.6523 -6.6523 -6.6523 -6.6523 -1.0664 -1.0663 -1.0660 -1.0659 -0.5687 -0.5687 -0.5681 -0.5681 1.7147 1.7147 1.7155 1.7155 2.7558 2.7559 2.7577 2.7577 3.4505 3.4505 3.4523 3.4523 3.9445 3.9446 3.9461 3.9461 7.9935 7.9935 7.9951 7.9951 9.1321 9.1321 9.1330 9.1330 9.4683 9.4683 9.4696 9.4696 17.0063 17.0063 17.0072 17.0073 17.3375 17.3376 17.3399 17.3399 18.6106 18.6107 k =-0.3360 0.5728 0.5482 ( 2410 PWs) bands (ev): -10.1038 -10.1038 -10.1038 -10.1037 -9.5954 -9.5954 -9.5953 -9.5953 -6.6523 -6.6523 -6.6523 -6.6523 -1.0664 -1.0663 -1.0660 -1.0659 -0.5687 -0.5687 -0.5681 -0.5681 1.7147 1.7147 1.7155 1.7155 2.7558 2.7559 2.7577 2.7577 3.4505 3.4505 3.4523 3.4523 3.9445 3.9446 3.9461 3.9461 7.9935 7.9935 7.9951 7.9951 9.1321 9.1321 9.1330 9.1330 9.4683 9.4683 9.4696 9.4696 17.0063 17.0063 17.0072 17.0073 17.3375 17.3376 17.3399 17.3399 18.6106 18.6107 k =-0.3429 0.5612 0.5482 ( 2410 PWs) bands (ev): -10.1476 -10.1476 -10.1476 -10.1475 -9.5371 -9.5371 -9.5371 -9.5370 -6.6644 -6.6644 -6.6644 -6.6644 -1.1567 -1.1567 -1.1563 -1.1563 -0.4965 -0.4965 -0.4959 -0.4959 1.7253 1.7253 1.7261 1.7261 2.7691 2.7691 2.7711 2.7711 3.4417 3.4417 3.4436 3.4437 3.9643 3.9643 3.9658 3.9659 7.9595 7.9595 7.9611 7.9611 9.1525 9.1525 9.1533 9.1533 9.4649 9.4650 9.4662 9.4662 17.0206 17.0206 17.0215 17.0216 17.3214 17.3214 17.3236 17.3237 18.6124 18.6125 k =-0.3497 0.5495 0.5482 ( 2400 PWs) bands (ev): -10.1896 -10.1896 -10.1896 -10.1895 -9.4796 -9.4796 -9.4796 -9.4795 -6.6751 -6.6751 -6.6751 -6.6751 -1.2483 -1.2483 -1.2479 -1.2479 -0.4258 -0.4258 -0.4252 -0.4252 1.7384 1.7384 1.7391 1.7391 2.7801 2.7801 2.7822 2.7823 3.4329 3.4329 3.4350 3.4350 3.9843 3.9843 3.9859 3.9859 7.9243 7.9243 7.9259 7.9259 9.1737 9.1737 9.1746 9.1746 9.4612 9.4613 9.4625 9.4625 17.0345 17.0346 17.0355 17.0355 17.3077 17.3078 17.3098 17.3099 18.6189 18.6189 k =-0.3565 0.5379 0.5482 ( 2388 PWs) bands (ev): -10.2298 -10.2298 -10.2298 -10.2297 -9.4231 -9.4231 -9.4230 -9.4230 -6.6845 -6.6845 -6.6845 -6.6845 -1.3406 -1.3405 -1.3402 -1.3402 -0.3568 -0.3568 -0.3562 -0.3562 1.7535 1.7535 1.7542 1.7542 2.7893 2.7893 2.7915 2.7915 3.4240 3.4240 3.4262 3.4262 4.0045 4.0045 4.0060 4.0061 7.8882 7.8882 7.8898 7.8898 9.1958 9.1958 9.1966 9.1966 9.4572 9.4572 9.4584 9.4584 17.0478 17.0478 17.0487 17.0487 17.2969 17.2969 17.2989 17.2989 18.6299 18.6300 k =-0.3634 0.5262 0.5482 ( 2384 PWs) bands (ev): -10.2682 -10.2682 -10.2682 -10.2681 -9.3677 -9.3677 -9.3677 -9.3676 -6.6925 -6.6925 -6.6925 -6.6924 -1.4330 -1.4330 -1.4327 -1.4326 -0.2896 -0.2896 -0.2890 -0.2890 1.7704 1.7704 1.7711 1.7711 2.7967 2.7967 2.7990 2.7991 3.4149 3.4149 3.4171 3.4172 4.0246 4.0246 4.0262 4.0262 7.8515 7.8516 7.8532 7.8532 9.2183 9.2183 9.2191 9.2191 9.4526 9.4526 9.4538 9.4539 17.0600 17.0601 17.0609 17.0609 17.2891 17.2891 17.2910 17.2910 18.6456 18.6457 k =-0.3702 0.5146 0.5482 ( 2380 PWs) bands (ev): -10.3048 -10.3048 -10.3048 -10.3047 -9.3137 -9.3137 -9.3136 -9.3136 -6.6990 -6.6990 -6.6990 -6.6990 -1.5252 -1.5252 -1.5248 -1.5248 -0.2242 -0.2242 -0.2236 -0.2236 1.7888 1.7888 1.7895 1.7895 2.8027 2.8027 2.8051 2.8052 3.4053 3.4054 3.4077 3.4077 4.0446 4.0446 4.0461 4.0461 7.8146 7.8146 7.8162 7.8162 9.2411 9.2411 9.2419 9.2419 9.4476 9.4477 9.4488 9.4489 17.0711 17.0711 17.0719 17.0720 17.2846 17.2847 17.2864 17.2865 18.6658 18.6661 k =-0.3770 0.5029 0.5482 ( 2384 PWs) bands (ev): -10.3396 -10.3396 -10.3396 -10.3395 -9.2612 -9.2611 -9.2611 -9.2611 -6.7041 -6.7041 -6.7041 -6.7041 -1.6166 -1.6166 -1.6163 -1.6162 -0.1608 -0.1608 -0.1602 -0.1602 1.8084 1.8085 1.8091 1.8091 2.8075 2.8075 2.8100 2.8100 3.3954 3.3954 3.3978 3.3978 4.0643 4.0643 4.0658 4.0658 7.7776 7.7776 7.7792 7.7792 9.2640 9.2640 9.2648 9.2648 9.4422 9.4423 9.4434 9.4434 17.0808 17.0809 17.0816 17.0817 17.2836 17.2837 17.2853 17.2853 18.6903 18.6904 k =-0.3839 0.4913 0.5482 ( 2388 PWs) bands (ev): -10.3726 -10.3725 -10.3725 -10.3725 -9.2103 -9.2103 -9.2103 -9.2102 -6.7078 -6.7078 -6.7078 -6.7078 -1.7068 -1.7068 -1.7065 -1.7064 -0.0996 -0.0996 -0.0990 -0.0989 1.8290 1.8290 1.8296 1.8296 2.8113 2.8113 2.8139 2.8139 3.3849 3.3849 3.3874 3.3874 4.0836 4.0836 4.0851 4.0851 7.7408 7.7408 7.7424 7.7424 9.2868 9.2868 9.2876 9.2876 9.4364 9.4365 9.4376 9.4376 17.0892 17.0892 17.0899 17.0900 17.2861 17.2861 17.2877 17.2877 18.7187 18.7188 k =-0.3907 0.4796 0.5482 ( 2380 PWs) bands (ev): -10.4037 -10.4037 -10.4037 -10.4036 -9.1614 -9.1614 -9.1613 -9.1613 -6.7101 -6.7101 -6.7101 -6.7100 -1.7952 -1.7952 -1.7949 -1.7949 -0.0405 -0.0405 -0.0399 -0.0399 1.8501 1.8502 1.8507 1.8508 2.8144 2.8144 2.8170 2.8171 3.3739 3.3739 3.3764 3.3764 4.1024 4.1024 4.1038 4.1039 7.7045 7.7045 7.7061 7.7061 9.3093 9.3094 9.3100 9.3101 9.4303 9.4303 9.4314 9.4314 17.0962 17.0962 17.0969 17.0969 17.2921 17.2922 17.2936 17.2936 18.7506 18.7507 k =-0.3975 0.4680 0.5482 ( 2380 PWs) bands (ev): -10.4330 -10.4329 -10.4329 -10.4329 -9.1145 -9.1145 -9.1145 -9.1145 -6.7110 -6.7110 -6.7109 -6.7109 -1.8815 -1.8815 -1.8812 -1.8812 0.0161 0.0161 0.0167 0.0167 1.8716 1.8717 1.8722 1.8722 2.8169 2.8170 2.8196 2.8196 3.3623 3.3624 3.3649 3.3649 4.1206 4.1206 4.1220 4.1220 7.6690 7.6690 7.6705 7.6705 9.3313 9.3314 9.3320 9.3320 9.4239 9.4239 9.4250 9.4250 17.1019 17.1019 17.1025 17.1026 17.3015 17.3016 17.3029 17.3030 18.7855 18.7856 k =-0.4044 0.4564 0.5482 ( 2376 PWs) bands (ev): -10.4604 -10.4603 -10.4603 -10.4603 -9.0699 -9.0699 -9.0699 -9.0698 -6.7105 -6.7105 -6.7105 -6.7105 -1.9651 -1.9651 -1.9648 -1.9648 0.0702 0.0702 0.0707 0.0707 1.8932 1.8932 1.8938 1.8938 2.8191 2.8191 2.8218 2.8218 3.3503 3.3503 3.3529 3.3529 4.1381 4.1381 4.1395 4.1395 7.6345 7.6345 7.6359 7.6359 9.3527 9.3527 9.3533 9.3533 9.4173 9.4174 9.4183 9.4184 17.1063 17.1063 17.1069 17.1070 17.3142 17.3143 17.3155 17.3156 18.8228 18.8229 k =-0.4112 0.4447 0.5482 ( 2380 PWs) bands (ev): -10.4859 -10.4859 -10.4859 -10.4859 -9.0277 -9.0277 -9.0277 -9.0277 -6.7089 -6.7089 -6.7089 -6.7089 -2.0456 -2.0456 -2.0453 -2.0453 0.1215 0.1215 0.1221 0.1221 1.9146 1.9146 1.9151 1.9152 2.8210 2.8210 2.8237 2.8237 3.3379 3.3379 3.3404 3.3404 4.1548 4.1548 4.1561 4.1561 7.6011 7.6011 7.6025 7.6025 9.3731 9.3731 9.3737 9.3737 9.4107 9.4107 9.4116 9.4117 17.1096 17.1097 17.1102 17.1102 17.3299 17.3299 17.3311 17.3311 18.8619 18.8619 k =-0.4180 0.4331 0.5482 ( 2380 PWs) bands (ev): -10.5096 -10.5096 -10.5096 -10.5096 -8.9881 -8.9881 -8.9881 -8.9881 -6.7062 -6.7062 -6.7062 -6.7062 -2.1226 -2.1225 -2.1223 -2.1223 0.1700 0.1701 0.1706 0.1706 1.9356 1.9356 1.9361 1.9361 2.8227 2.8227 2.8254 2.8254 3.3251 3.3251 3.3277 3.3277 4.1706 4.1706 4.1718 4.1719 7.5692 7.5692 7.5706 7.5706 9.3925 9.3925 9.3928 9.3928 9.4041 9.4041 9.4052 9.4052 17.1120 17.1120 17.1125 17.1125 17.3482 17.3482 17.3493 17.3494 18.9019 18.9020 k =-0.4249 0.4214 0.5482 ( 2376 PWs) bands (ev): -10.5314 -10.5314 -10.5314 -10.5314 -8.9512 -8.9512 -8.9512 -8.9512 -6.7025 -6.7025 -6.7025 -6.7025 -2.1955 -2.1955 -2.1953 -2.1952 0.2155 0.2155 0.2160 0.2160 1.9559 1.9559 1.9563 1.9564 2.8244 2.8245 2.8271 2.8271 3.3122 3.3123 3.3147 3.3147 4.1855 4.1855 4.1866 4.1866 7.5390 7.5390 7.5402 7.5402 9.3972 9.3972 9.3977 9.3978 9.4112 9.4112 9.4119 9.4119 17.1135 17.1135 17.1139 17.1140 17.3687 17.3688 17.3698 17.3699 18.9424 18.9424 k =-0.4317 0.4098 0.5482 ( 2380 PWs) bands (ev): -10.5514 -10.5514 -10.5513 -10.5513 -8.9172 -8.9172 -8.9172 -8.9171 -6.6981 -6.6981 -6.6981 -6.6980 -2.2640 -2.2640 -2.2638 -2.2638 0.2578 0.2578 0.2583 0.2583 1.9752 1.9753 1.9757 1.9757 2.8262 2.8262 2.8287 2.8288 3.2993 3.2994 3.3017 3.3018 4.1993 4.1993 4.2003 4.2004 7.5106 7.5106 7.5118 7.5118 9.3908 9.3909 9.3915 9.3915 9.4282 9.4282 9.4287 9.4288 17.1143 17.1144 17.1147 17.1148 17.3910 17.3911 17.3920 17.3921 18.9824 18.9824 k =-0.4385 0.3981 0.5482 ( 2380 PWs) bands (ev): -10.5694 -10.5694 -10.5694 -10.5694 -8.8861 -8.8861 -8.8861 -8.8861 -6.6931 -6.6930 -6.6930 -6.6930 -2.3276 -2.3276 -2.3274 -2.3274 0.2967 0.2967 0.2971 0.2971 1.9935 1.9935 1.9939 1.9939 2.8280 2.8280 2.8305 2.8305 3.2866 3.2867 3.2889 3.2890 4.2120 4.2120 4.2130 4.2130 7.4843 7.4843 7.4854 7.4854 9.3847 9.3848 9.3854 9.3854 9.4439 9.4439 9.4444 9.4444 17.1146 17.1147 17.1150 17.1150 17.4145 17.4146 17.4154 17.4155 19.0213 19.0215 k =-0.4453 0.3865 0.5482 ( 2384 PWs) bands (ev): -10.5856 -10.5856 -10.5856 -10.5855 -8.8581 -8.8581 -8.8581 -8.8581 -6.6877 -6.6877 -6.6877 -6.6876 -2.3859 -2.3858 -2.3857 -2.3857 0.3320 0.3320 0.3324 0.3324 2.0104 2.0104 2.0108 2.0108 2.8299 2.8299 2.8322 2.8323 3.2743 3.2744 3.2765 3.2766 4.2235 4.2235 4.2244 4.2244 7.4602 7.4602 7.4612 7.4612 9.3790 9.3790 9.3796 9.3796 9.4582 9.4582 9.4586 9.4586 17.1145 17.1146 17.1149 17.1149 17.4385 17.4386 17.4393 17.4394 19.0584 19.0584 k =-0.4522 0.3748 0.5482 ( 2384 PWs) bands (ev): -10.5999 -10.5999 -10.5998 -10.5998 -8.8333 -8.8333 -8.8332 -8.8332 -6.6822 -6.6822 -6.6822 -6.6821 -2.4384 -2.4384 -2.4382 -2.4382 0.3637 0.3637 0.3640 0.3640 2.0258 2.0259 2.0262 2.0262 2.8319 2.8319 2.8340 2.8340 3.2627 3.2627 3.2647 3.2647 4.2338 4.2338 4.2346 4.2346 7.4385 7.4385 7.4394 7.4394 9.3737 9.3737 9.3742 9.3742 9.4709 9.4709 9.4713 9.4713 17.1142 17.1142 17.1145 17.1145 17.4623 17.4623 17.4630 17.4631 19.0929 19.0929 k =-0.4590 0.3632 0.5482 ( 2382 PWs) bands (ev): -10.6122 -10.6122 -10.6122 -10.6122 -8.8116 -8.8116 -8.8116 -8.8116 -6.6768 -6.6768 -6.6768 -6.6767 -2.4848 -2.4848 -2.4847 -2.4847 0.3914 0.3915 0.3918 0.3918 2.0396 2.0396 2.0399 2.0399 2.8338 2.8339 2.8358 2.8358 3.2519 3.2520 3.2538 3.2538 4.2428 4.2429 4.2436 4.2436 7.4194 7.4195 7.4202 7.4202 9.3690 9.3690 9.3694 9.3694 9.4821 9.4821 9.4824 9.4824 17.1137 17.1137 17.1139 17.1139 17.4851 17.4851 17.4857 17.4858 19.1243 19.1243 k =-0.4658 0.3516 0.5482 ( 2382 PWs) bands (ev): -10.6227 -10.6227 -10.6227 -10.6227 -8.7932 -8.7932 -8.7932 -8.7932 -6.6717 -6.6717 -6.6717 -6.6717 -2.5248 -2.5248 -2.5247 -2.5246 0.4152 0.4152 0.4155 0.4155 2.0515 2.0515 2.0517 2.0517 2.8358 2.8358 2.8375 2.8375 3.2423 3.2423 3.2439 3.2439 4.2506 4.2506 4.2512 4.2512 7.4030 7.4031 7.4037 7.4037 9.3648 9.3649 9.3652 9.3652 9.4916 9.4916 9.4919 9.4919 17.1131 17.1131 17.1133 17.1133 17.5061 17.5062 17.5067 17.5067 19.1519 19.1523 k =-0.4727 0.3399 0.5482 ( 2386 PWs) bands (ev): -10.6313 -10.6313 -10.6313 -10.6312 -8.7782 -8.7781 -8.7781 -8.7781 -6.6672 -6.6672 -6.6672 -6.6672 -2.5579 -2.5579 -2.5579 -2.5578 0.4349 0.4349 0.4351 0.4351 2.0614 2.0614 2.0616 2.0616 2.8376 2.8376 2.8390 2.8390 3.2340 3.2341 3.2354 3.2354 4.2569 4.2570 4.2574 4.2575 7.3895 7.3895 7.3900 7.3900 9.3614 9.3614 9.3617 9.3617 9.4995 9.4995 9.4997 9.4997 17.1125 17.1125 17.1127 17.1127 17.5247 17.5247 17.5251 17.5252 19.1752 19.1755 k =-0.4795 0.3283 0.5482 ( 2388 PWs) bands (ev): -10.6380 -10.6380 -10.6379 -10.6379 -8.7664 -8.7664 -8.7664 -8.7664 -6.6635 -6.6635 -6.6635 -6.6635 -2.5840 -2.5840 -2.5840 -2.5839 0.4503 0.4503 0.4504 0.4505 2.0692 2.0692 2.0694 2.0694 2.8391 2.8392 2.8402 2.8403 3.2274 3.2274 3.2284 3.2284 4.2620 4.2620 4.2623 4.2623 7.3788 7.3788 7.3792 7.3792 9.3586 9.3587 9.3588 9.3589 9.5056 9.5056 9.5058 9.5058 17.1120 17.1120 17.1121 17.1121 17.5400 17.5400 17.5403 17.5403 19.1938 19.1939 k =-0.4863 0.3166 0.5482 ( 2384 PWs) bands (ev): -10.6427 -10.6427 -10.6427 -10.6427 -8.7580 -8.7580 -8.7580 -8.7580 -6.6607 -6.6607 -6.6607 -6.6607 -2.6028 -2.6028 -2.6028 -2.6028 0.4614 0.4614 0.4615 0.4615 2.0749 2.0749 2.0750 2.0750 2.8404 2.8404 2.8412 2.8412 3.2225 3.2226 3.2233 3.2233 4.2656 4.2656 4.2658 4.2658 7.3712 7.3712 7.3714 7.3714 9.3567 9.3567 9.3568 9.3568 9.5100 9.5100 9.5102 9.5102 17.1116 17.1116 17.1117 17.1117 17.5514 17.5515 17.5516 17.5517 19.2075 19.2075 k =-0.4932 0.3050 0.5482 ( 2388 PWs) bands (ev): -10.6456 -10.6456 -10.6455 -10.6455 -8.7529 -8.7529 -8.7529 -8.7529 -6.6590 -6.6590 -6.6590 -6.6590 -2.6142 -2.6142 -2.6142 -2.6141 0.4680 0.4681 0.4681 0.4681 2.0783 2.0784 2.0784 2.0784 2.8413 2.8413 2.8417 2.8417 3.2196 3.2197 3.2200 3.2200 4.2678 4.2678 4.2679 4.2679 7.3666 7.3666 7.3667 7.3667 9.3555 9.3555 9.3555 9.3556 9.5127 9.5127 9.5128 9.5128 17.1113 17.1114 17.1114 17.1114 17.5585 17.5586 17.5586 17.5587 19.2157 19.2158 k =-0.5000 0.2933 0.5482 ( 2380 PWs) bands (ev): -10.6465 -10.6465 -10.6465 -10.6465 -8.7512 -8.7512 -8.7512 -8.7512 -6.6584 -6.6584 -6.6584 -6.6584 -2.6180 -2.6180 -2.6179 -2.6179 0.4703 0.4703 0.4703 0.4703 2.0795 2.0795 2.0795 2.0795 2.8417 2.8417 2.8417 2.8417 3.2188 3.2188 3.2188 3.2188 4.2686 4.2686 4.2686 4.2686 7.3651 7.3651 7.3651 7.3651 9.3551 9.3551 9.3551 9.3551 9.5136 9.5136 9.5136 9.5136 17.1113 17.1113 17.1113 17.1113 17.5610 17.5610 17.5610 17.5610 19.2185 19.2186 k =-0.5000 0.2933 0.5482 ( 2380 PWs) bands (ev): -10.6465 -10.6465 -10.6465 -10.6465 -8.7512 -8.7512 -8.7512 -8.7512 -6.6584 -6.6584 -6.6584 -6.6584 -2.6180 -2.6180 -2.6179 -2.6179 0.4703 0.4703 0.4703 0.4703 2.0795 2.0795 2.0795 2.0795 2.8417 2.8417 2.8417 2.8417 3.2188 3.2188 3.2188 3.2188 4.2686 4.2686 4.2686 4.2686 7.3651 7.3651 7.3651 7.3651 9.3551 9.3551 9.3551 9.3551 9.5136 9.5136 9.5136 9.5136 17.1113 17.1113 17.1113 17.1113 17.5610 17.5610 17.5610 17.5610 19.2185 19.2185 k =-0.5000 0.2933 0.5345 ( 2384 PWs) bands (ev): -10.7278 -10.7278 -10.5634 -10.5634 -8.7766 -8.7766 -8.7276 -8.7276 -6.6696 -6.6696 -6.6453 -6.6453 -2.6275 -2.6275 -2.6052 -2.6052 0.3807 0.3807 0.5555 0.5555 2.0424 2.0424 2.1149 2.1149 2.7886 2.7886 2.8655 2.8655 3.2267 3.2267 3.2433 3.2433 4.2489 4.2489 4.2840 4.2840 7.3384 7.3384 7.3912 7.3912 9.3444 9.3444 9.3653 9.3653 9.5131 9.5131 9.5168 9.5168 17.1010 17.1010 17.1271 17.1271 17.5530 17.5530 17.5660 17.5660 19.1877 19.1877 k =-0.5000 0.2933 0.5208 ( 2380 PWs) bands (ev): -10.8071 -10.8071 -10.4785 -10.4785 -8.8035 -8.8035 -8.7058 -8.7058 -6.6789 -6.6789 -6.6301 -6.6301 -2.6337 -2.6337 -2.5893 -2.5893 0.2866 0.2866 0.6363 0.6363 2.0038 2.0038 2.1486 2.1486 2.7193 2.7193 2.8556 2.8556 3.2710 3.2710 3.2873 3.2873 4.2253 4.2253 4.2953 4.2953 7.3110 7.3110 7.4168 7.4168 9.3332 9.3332 9.3752 9.3752 9.5153 9.5153 9.5226 9.5226 17.0965 17.0965 17.1482 17.1482 17.5419 17.5419 17.5681 17.5681 19.1554 19.1554 k =-0.5000 0.2933 0.5071 ( 2388 PWs) bands (ev): -10.8846 -10.8846 -10.3918 -10.3918 -8.8318 -8.8318 -8.6860 -8.6860 -6.6867 -6.6867 -6.6126 -6.6126 -2.6365 -2.6365 -2.5705 -2.5705 0.1879 0.1879 0.7129 0.7129 1.9638 1.9638 2.1802 2.1802 2.6432 2.6432 2.8225 2.8225 3.3396 3.3396 3.3431 3.3431 4.1979 4.1979 4.3022 4.3022 7.2830 7.2830 7.4419 7.4419 9.3212 9.3212 9.3849 9.3849 9.5202 9.5202 9.5309 9.5309 17.0978 17.0978 17.1742 17.1742 17.5277 17.5277 17.5675 17.5675 19.1222 19.1222 k =-0.5000 0.2933 0.4934 ( 2388 PWs) bands (ev): -10.9602 -10.9602 -10.3033 -10.3033 -8.8613 -8.8613 -8.6682 -8.6682 -6.6931 -6.6931 -6.5927 -6.5927 -2.6357 -2.6357 -2.5488 -2.5488 0.0848 0.0848 0.7856 0.7856 1.9224 1.9224 2.2097 2.2097 2.5650 2.5650 2.7776 2.7776 3.4014 3.4014 3.4254 3.4254 4.1669 4.1669 4.3048 4.3048 7.2543 7.2543 7.4668 7.4668 9.3082 9.3082 9.3944 9.3944 9.5280 9.5280 9.5415 9.5415 17.1050 17.1050 17.2045 17.2045 17.5105 17.5105 17.5642 17.5642 19.0889 19.0889 k =-0.5000 0.2933 0.4797 ( 2396 PWs) bands (ev): -11.0339 -11.0339 -10.2130 -10.2130 -8.8918 -8.8918 -8.6526 -8.6526 -6.6984 -6.6984 -6.5703 -6.5703 -2.6313 -2.6313 -2.5244 -2.5244 -0.0229 -0.0229 0.8543 0.8543 1.8797 1.8797 2.2367 2.2367 2.4871 2.4871 2.7272 2.7272 3.4649 3.4649 3.5165 3.5165 4.1326 4.1326 4.3032 4.3032 7.2250 7.2250 7.4915 7.4915 9.2941 9.2941 9.4036 9.4036 9.5387 9.5387 9.5544 9.5544 17.1182 17.1182 17.2386 17.2386 17.4903 17.4903 17.5584 17.5584 19.0564 19.0564 k =-0.5000 0.2933 0.4660 ( 2392 PWs) bands (ev): -11.1056 -11.1056 -10.1210 -10.1210 -8.9232 -8.9232 -8.6392 -8.6392 -6.7026 -6.7026 -6.5453 -6.5453 -2.6231 -2.6231 -2.4975 -2.4975 -0.1350 -0.1350 0.9194 0.9194 1.8357 1.8357 2.2610 2.2610 2.4108 2.4108 2.6745 2.6745 3.5307 3.5307 3.6116 3.6116 4.0954 4.0954 4.2975 4.2975 7.1954 7.1954 7.5161 7.5161 9.2787 9.2787 9.4127 9.4127 9.5523 9.5523 9.5694 9.5694 17.1372 17.1372 17.2757 17.2757 17.4671 17.4671 17.5504 17.5504 19.0257 19.0257 k =-0.5000 0.2933 0.4523 ( 2392 PWs) bands (ev): -11.1753 -11.1753 -10.0274 -10.0274 -8.9552 -8.9552 -8.6279 -8.6279 -6.7061 -6.7061 -6.5177 -6.5177 -2.6111 -2.6111 -2.4682 -2.4682 -0.2513 -0.2513 0.9809 0.9809 1.7905 1.7905 2.2823 2.2823 2.3367 2.3367 2.6209 2.6209 3.5980 3.5980 3.7085 3.7085 4.0558 4.0558 4.2879 4.2879 7.1656 7.1656 7.5407 7.5407 9.2618 9.2618 9.4216 9.4216 9.5687 9.5687 9.5865 9.5865 17.1619 17.1619 17.3148 17.3148 17.4410 17.4410 17.5404 17.5404 18.9980 18.9980 k =-0.5000 0.2933 0.4386 ( 2398 PWs) bands (ev): -11.2431 -11.2431 -9.9321 -9.9321 -8.9877 -8.9877 -8.6188 -8.6188 -6.7090 -6.7090 -6.4876 -6.4876 -2.5953 -2.5953 -2.4366 -2.4366 -0.3716 -0.3716 1.0391 1.0391 1.7440 1.7440 2.2652 2.2652 2.3001 2.3001 2.5674 2.5674 3.6664 3.6664 3.8062 3.8062 4.0140 4.0140 4.2746 4.2746 7.1356 7.1356 7.5655 7.5655 9.2432 9.2432 9.4301 9.4301 9.5880 9.5880 9.6054 9.6054 17.1921 17.1921 17.3549 17.3549 17.4121 17.4121 17.5286 17.5286 18.9745 18.9745 k =-0.5000 0.2933 0.4249 ( 2398 PWs) bands (ev): -11.3089 -11.3089 -9.8352 -9.8352 -9.0206 -9.0206 -8.6118 -8.6118 -6.7113 -6.7113 -6.4550 -6.4550 -2.5756 -2.5756 -2.4029 -2.4029 -0.4958 -0.4958 1.0941 1.0941 1.6963 1.6963 2.1967 2.1967 2.3141 2.3141 2.5145 2.5145 3.7356 3.7356 3.9038 3.9038 3.9708 3.9708 4.2580 4.2580 7.1059 7.1059 7.5905 7.5905 9.2230 9.2230 9.4383 9.4383 9.6101 9.6101 9.6260 9.6260 17.2276 17.2276 17.3804 17.3804 17.3947 17.3947 17.5153 17.5153 18.9568 18.9568 k =-0.5000 0.2933 0.4112 ( 2398 PWs) bands (ev): -11.3727 -11.3727 -9.7367 -9.7367 -9.0536 -9.0536 -8.6069 -8.6069 -6.7134 -6.7134 -6.4200 -6.4200 -2.5520 -2.5520 -2.3671 -2.3671 -0.6235 -0.6235 1.1461 1.1461 1.6472 1.6472 2.1312 2.1312 2.3238 2.3238 2.4624 2.4624 3.8052 3.8052 3.9266 3.9266 4.0007 4.0007 4.2383 4.2383 7.0765 7.0765 7.6156 7.6156 9.2010 9.2010 9.4459 9.4459 9.6349 9.6349 9.6483 9.6483 17.2681 17.2681 17.3465 17.3465 17.4324 17.4324 17.5008 17.5008 18.9463 18.9463 k =-0.5000 0.2933 0.3975 ( 2396 PWs) bands (ev): -11.4346 -11.4346 -9.6367 -9.6367 -9.0867 -9.0867 -8.6039 -8.6039 -6.7153 -6.7153 -6.3826 -6.3826 -2.5245 -2.5245 -2.3296 -2.3296 -0.7544 -0.7544 1.1952 1.1952 1.5969 1.5969 2.0687 2.0687 2.3287 2.3287 2.4115 2.4115 3.8750 3.8750 3.8822 3.8822 4.0964 4.0964 4.2159 4.2159 7.0478 7.0478 7.6408 7.6408 9.1772 9.1772 9.4529 9.4529 9.6623 9.6623 9.6720 9.6720 17.3099 17.3099 17.3133 17.3133 17.4668 17.4668 17.4854 17.4854 18.9448 18.9448 k =-0.5000 0.2933 0.3838 ( 2396 PWs) bands (ev): -11.4944 -11.4944 -9.5352 -9.5352 -9.1196 -9.1196 -8.6027 -8.6027 -6.7171 -6.7171 -6.3431 -6.3431 -2.4931 -2.4931 -2.2902 -2.2902 -0.8884 -0.8884 1.2415 1.2415 1.5452 1.5452 2.0092 2.0092 2.3282 2.3282 2.3618 2.3618 3.8379 3.8379 3.9450 3.9450 4.1896 4.1896 4.1920 4.1920 7.0200 7.0200 7.6661 7.6661 9.1518 9.1518 9.4592 9.4592 9.6921 9.6921 9.6971 9.6971 17.2713 17.2713 17.3625 17.3625 17.4693 17.4693 17.4962 17.4962 18.9537 18.9537 k =-0.5000 0.2933 0.3701 ( 2400 PWs) bands (ev): -11.5521 -11.5521 -9.4323 -9.4323 -9.1523 -9.1523 -8.6032 -8.6032 -6.7190 -6.7190 -6.3016 -6.3016 -2.4578 -2.4578 -2.2493 -2.2493 -1.0249 -1.0249 1.2851 1.2851 1.4921 1.4921 1.9527 1.9527 2.3136 2.3136 2.3219 2.3219 3.7947 3.7947 4.0149 4.0149 4.1646 4.1646 4.2825 4.2825 6.9933 6.9933 7.6912 7.6912 9.1248 9.1248 9.4647 9.4647 9.7225 9.7225 9.7251 9.7251 17.2305 17.2305 17.4155 17.4155 17.4528 17.4528 17.5192 17.5192 18.9743 18.9743 k =-0.5000 0.2933 0.3563 ( 2404 PWs) bands (ev): -11.6079 -11.6079 -9.3281 -9.3281 -9.1847 -9.1847 -8.6052 -8.6052 -6.7209 -6.7209 -6.2584 -6.2584 -2.4187 -2.4187 -2.2069 -2.2069 -1.1638 -1.1638 1.3261 1.3261 1.4377 1.4377 1.8991 1.8991 2.2670 2.2670 2.3090 2.3090 3.7532 3.7532 4.0844 4.0844 4.1367 4.1367 4.3722 4.3722 6.9678 6.9678 7.7160 7.7160 9.0964 9.0964 9.4693 9.4693 9.7500 9.7500 9.7591 9.7591 17.1878 17.1878 17.4362 17.4362 17.4719 17.4719 17.5349 17.5349 19.0011 19.0011 k =-0.5000 0.2933 0.3426 ( 2408 PWs) bands (ev): -11.6616 -11.6616 -9.2227 -9.2227 -9.2165 -9.2165 -8.6086 -8.6086 -6.7229 -6.7229 -6.2136 -6.2136 -2.3758 -2.3758 -2.1632 -2.1632 -1.3046 -1.3046 1.3646 1.3646 1.3817 1.3817 1.8483 1.8483 2.2221 2.2221 2.2893 2.2893 3.7141 3.7141 4.1074 4.1074 4.1538 4.1538 4.4594 4.4594 6.9439 6.9439 7.7402 7.7402 9.0669 9.0669 9.4730 9.4730 9.7780 9.7780 9.7953 9.7953 17.1432 17.1432 17.4198 17.4198 17.5308 17.5308 17.5428 17.5428 18.8967 18.8967 k =-0.5000 0.2933 0.3289 ( 2412 PWs) bands (ev): -11.7133 -11.7133 -9.2478 -9.2478 -9.1160 -9.1160 -8.6132 -8.6132 -6.7252 -6.7252 -6.1675 -6.1675 -2.3292 -2.3292 -2.1181 -2.1181 -1.4471 -1.4471 1.3243 1.3243 1.4007 1.4007 1.8002 1.8002 2.1790 2.1790 2.2623 2.2623 3.6778 3.6778 4.0779 4.0779 4.2223 4.2223 4.5439 4.5439 6.9216 6.9216 7.7636 7.7636 9.0367 9.0367 9.4757 9.4757 9.8067 9.8067 9.8334 9.8334 17.0971 17.0971 17.4038 17.4038 17.5428 17.5428 17.5921 17.5921 18.7930 18.7930 k =-0.5000 0.2933 0.3152 ( 2414 PWs) bands (ev): -11.7629 -11.7629 -9.2783 -9.2783 -9.0083 -9.0083 -8.6189 -8.6189 -6.7276 -6.7276 -6.1203 -6.1203 -2.2790 -2.2790 -2.0720 -2.0720 -1.5909 -1.5909 1.2654 1.2654 1.4343 1.4343 1.7548 1.7548 2.1379 2.1379 2.2278 2.2278 3.6448 3.6448 4.0481 4.0481 4.2900 4.2900 4.6254 4.6254 6.9011 6.9011 7.7857 7.7857 9.0062 9.0062 9.4773 9.4773 9.8359 9.8359 9.8728 9.8728 17.0496 17.0496 17.3885 17.3885 17.5356 17.5356 17.6549 17.6549 18.6909 18.6909 k =-0.5000 0.2933 0.3015 ( 2416 PWs) bands (ev): -11.8104 -11.8104 -9.3081 -9.3081 -8.8996 -8.8996 -8.6255 -8.6255 -6.7302 -6.7302 -6.0722 -6.0722 -2.2253 -2.2253 -2.0247 -2.0247 -1.7356 -1.7356 1.2050 1.2050 1.4654 1.4654 1.7119 1.7119 2.0988 2.0988 2.1857 2.1857 3.6154 3.6154 4.0184 4.0184 4.3568 4.3568 4.7039 4.7039 6.8825 6.8825 7.8063 7.8063 8.9757 8.9757 9.4779 9.4779 9.8654 9.8654 9.9135 9.9135 17.0009 17.0009 17.3740 17.3740 17.5221 17.5221 17.7186 17.7186 18.5909 18.5909 k =-0.5000 0.2933 0.2878 ( 2404 PWs) bands (ev): -11.8558 -11.8558 -9.3370 -9.3370 -8.7900 -8.7900 -8.6328 -8.6328 -6.7331 -6.7331 -6.0236 -6.0236 -2.1683 -2.1683 -1.9765 -1.9765 -1.8810 -1.8810 1.1432 1.1432 1.4940 1.4940 1.6714 1.6714 2.0619 2.0619 2.1363 2.1363 3.5897 3.5897 3.9893 3.9893 4.4225 4.4225 4.7791 4.7791 6.8658 6.8658 7.8249 7.8249 8.9459 8.9459 9.4775 9.4775 9.8952 9.8952 9.9551 9.9551 16.9511 16.9511 17.3607 17.3607 17.5031 17.5031 17.7826 17.7826 18.4936 18.4936 k =-0.5000 0.2933 0.2741 ( 2400 PWs) bands (ev): -11.8992 -11.8992 -9.3650 -9.3650 -8.6797 -8.6797 -8.6407 -8.6407 -6.7361 -6.7361 -5.9748 -5.9748 -2.1080 -2.1080 -2.0266 -2.0266 -1.9275 -1.9275 1.0800 1.0800 1.5200 1.5200 1.6333 1.6333 2.0274 2.0274 2.0796 2.0796 3.5676 3.5676 3.9611 3.9611 4.4869 4.4869 4.8511 4.8511 6.8511 6.8511 7.8410 7.8410 8.9172 8.9172 9.4760 9.4760 9.9250 9.9250 9.9973 9.9973 16.9006 16.9006 17.3486 17.3486 17.4799 17.4799 17.8464 17.8464 18.3994 18.3994 k =-0.5000 0.2933 0.2604 ( 2400 PWs) bands (ev): -11.9405 -11.9405 -9.3920 -9.3920 -8.6490 -8.6490 -8.5688 -8.5688 -6.7394 -6.7394 -5.9259 -5.9259 -2.1721 -2.1721 -2.0446 -2.0446 -1.8777 -1.8777 1.0154 1.0154 1.5433 1.5433 1.5975 1.5975 1.9956 1.9956 2.0163 2.0163 3.5489 3.5489 3.9340 3.9340 4.5498 4.5498 4.9196 4.9196 6.8383 6.8383 7.8543 7.8543 8.8902 8.8902 9.4736 9.4736 9.9546 9.9546 10.0398 10.0398 16.8494 16.8494 17.3378 17.3378 17.4534 17.4534 17.9093 17.9093 18.3085 18.3085 k =-0.5000 0.2933 0.2467 ( 2400 PWs) bands (ev): -11.9797 -11.9797 -9.4180 -9.4180 -8.6577 -8.6577 -8.4576 -8.4576 -6.7428 -6.7428 -5.8772 -5.8772 -2.3172 -2.3172 -1.9784 -1.9784 -1.8271 -1.8271 0.9496 0.9496 1.5632 1.5633 1.5643 1.5643 1.9468 1.9468 1.9667 1.9667 3.5335 3.5335 3.9083 3.9083 4.6110 4.6110 4.9847 4.9847 6.8275 6.8275 7.8643 7.8643 8.8655 8.8655 9.4703 9.4703 9.9840 9.9840 10.0822 10.0822 16.7980 16.7980 17.3285 17.3285 17.4246 17.4246 17.9708 17.9708 18.2215 18.2215 k =-0.5000 0.2933 0.2330 ( 2396 PWs) bands (ev): -12.0169 -12.0169 -9.4428 -9.4428 -8.6666 -8.6666 -8.3462 -8.3462 -6.7463 -6.7463 -5.8292 -5.8292 -2.4614 -2.4614 -1.9095 -1.9095 -1.7760 -1.7760 0.8827 0.8827 1.5324 1.5324 1.5810 1.5810 1.8721 1.8721 1.9409 1.9409 3.5208 3.5208 3.8842 3.8842 4.6704 4.6704 5.0464 5.0464 6.8185 6.8185 7.8708 7.8708 8.8436 8.8436 9.4661 9.4661 10.0130 10.0130 10.1242 10.1242 16.7465 16.7465 17.3208 17.3208 17.3941 17.3941 18.0304 18.0304 18.1385 18.1385 k =-0.5000 0.2933 0.2193 ( 2392 PWs) bands (ev): -12.0519 -12.0519 -9.4664 -9.4664 -8.6755 -8.6755 -8.2349 -8.2349 -6.7500 -6.7500 -5.7819 -5.7819 -2.6044 -2.6044 -1.8381 -1.8381 -1.7244 -1.7244 0.8149 0.8149 1.5029 1.5029 1.5948 1.5948 1.7925 1.7925 1.9188 1.9188 3.5106 3.5106 3.8618 3.8618 4.7278 4.7278 5.1045 5.1045 6.8113 6.8113 7.8735 7.8735 8.8248 8.8248 9.4612 9.4612 10.0413 10.0413 10.1656 10.1656 16.6953 16.6953 17.3146 17.3146 17.3629 17.3629 18.0596 18.0596 18.0878 18.0878 k =-0.5000 0.2933 0.2056 ( 2386 PWs) bands (ev): -12.0848 -12.0848 -9.4888 -9.4888 -8.6844 -8.6844 -8.1239 -8.1239 -6.7536 -6.7536 -5.7357 -5.7357 -2.7457 -2.7457 -1.7645 -1.7645 -1.6724 -1.6724 0.7463 0.7463 1.4755 1.4755 1.6049 1.6049 1.7091 1.7091 1.9005 1.9005 3.5024 3.5024 3.8412 3.8412 4.7829 4.7829 5.1591 5.1591 6.8058 6.8058 7.8723 7.8723 8.8094 8.8094 9.4556 9.4556 10.0689 10.0689 10.2061 10.2061 16.6447 16.6447 17.3100 17.3100 17.3314 17.3314 17.9854 17.9854 18.1422 18.1422 k =-0.5000 0.2933 0.1919 ( 2388 PWs) bands (ev): -12.1156 -12.1156 -9.5100 -9.5100 -8.6932 -8.6932 -8.0137 -8.0137 -6.7573 -6.7573 -5.6909 -5.6909 -2.8849 -2.8849 -1.6890 -1.6890 -1.6201 -1.6201 0.6773 0.6773 1.4500 1.4500 1.6111 1.6111 1.6225 1.6225 1.8864 1.8864 3.4960 3.4960 3.8224 3.8224 4.8355 4.8355 5.2101 5.2101 6.8018 6.8018 7.8674 7.8674 8.7975 8.7975 9.4495 9.4495 10.0956 10.0956 10.2452 10.2452 16.5949 16.5949 17.3001 17.3001 17.3071 17.3071 17.9157 17.9157 18.1936 18.1936 k =-0.5000 0.2933 0.1782 ( 2380 PWs) bands (ev): -12.1443 -12.1443 -9.5298 -9.5298 -8.7017 -8.7017 -7.9046 -7.9046 -6.7610 -6.7610 -5.6477 -5.6477 -3.0215 -3.0215 -1.6119 -1.6119 -1.5676 -1.5676 0.6081 0.6081 1.4265 1.4265 1.5333 1.5333 1.6136 1.6136 1.8765 1.8765 3.4910 3.4910 3.8056 3.8056 4.8856 4.8856 5.2577 5.2577 6.7991 6.7991 7.8590 7.8590 8.7890 8.7890 9.4430 9.4430 10.1212 10.1212 10.2829 10.2829 16.5465 16.5465 17.2696 17.2696 17.3055 17.3055 17.8507 17.8507 18.2417 18.2417 k =-0.5000 0.2933 0.1645 ( 2384 PWs) bands (ev): -12.1709 -12.1709 -9.5483 -9.5483 -8.7099 -8.7099 -7.7972 -7.7972 -6.7646 -6.7646 -5.6065 -5.6065 -3.1548 -3.1548 -1.5337 -1.5337 -1.5152 -1.5152 0.5389 0.5389 1.4048 1.4048 1.4425 1.4425 1.6125 1.6125 1.8704 1.8704 3.4872 3.4872 3.7905 3.7905 4.9328 4.9328 5.3017 5.3017 6.7977 6.7977 7.8476 7.8476 8.7837 8.7837 9.4363 9.4363 10.1455 10.1455 10.3187 10.3187 16.4998 16.4998 17.2401 17.2401 17.3052 17.3052 17.7905 17.7905 18.2862 18.2862 k =-0.5000 0.2933 0.1508 ( 2390 PWs) bands (ev): -12.1954 -12.1954 -9.5655 -9.5655 -8.7177 -8.7177 -7.6919 -7.6919 -6.7681 -6.7681 -5.5674 -5.5674 -3.2841 -3.2841 -1.4630 -1.4629 -1.4546 -1.4546 0.4704 0.4704 1.3508 1.3508 1.3850 1.3850 1.6085 1.6085 1.8677 1.8677 3.4842 3.4842 3.7773 3.7773 4.9771 4.9771 5.3421 5.3421 6.7972 6.7972 7.8337 7.8337 8.7811 8.7811 9.4294 9.4294 10.1685 10.1685 10.3525 10.3525 16.4550 16.4550 17.2120 17.2120 17.3061 17.3061 17.7352 17.7352 18.3271 18.3271 k =-0.5000 0.2933 0.1371 ( 2386 PWs) bands (ev): -12.2178 -12.2178 -9.5812 -9.5812 -8.7251 -8.7251 -7.5895 -7.5895 -6.7714 -6.7714 -5.5308 -5.5308 -3.4087 -3.4087 -1.4112 -1.4112 -1.3754 -1.3754 0.4028 0.4028 1.2593 1.2593 1.3670 1.3670 1.6023 1.6023 1.8675 1.8675 3.4820 3.4820 3.7659 3.7659 5.0182 5.0182 5.3790 5.3790 6.7976 6.7976 7.8181 7.8181 8.7809 8.7809 9.4225 9.4225 10.1901 10.1901 10.3840 10.3840 16.4127 16.4127 17.1856 17.1856 17.3081 17.3081 17.6847 17.6847 18.3643 18.3643 k =-0.5000 0.2933 0.1234 ( 2388 PWs) bands (ev): -12.2380 -12.2380 -9.5955 -9.5955 -8.7319 -8.7319 -7.4908 -7.4908 -6.7745 -6.7745 -5.4968 -5.4968 -3.5278 -3.5278 -1.3603 -1.3603 -1.2967 -1.2967 0.3368 0.3368 1.1686 1.1686 1.3508 1.3508 1.5949 1.5949 1.8691 1.8691 3.4803 3.4803 3.7561 3.7561 5.0560 5.0560 5.4123 5.4123 6.7987 6.7987 7.8015 7.8015 8.7825 8.7825 9.4157 9.4157 10.2100 10.2100 10.4130 10.4130 16.3731 16.3731 17.1611 17.1611 17.3109 17.3109 17.6391 17.6391 18.3978 18.3978 k =-0.5000 0.2933 0.1096 ( 2392 PWs) bands (ev): -12.2561 -12.2561 -9.6084 -9.6084 -8.7382 -8.7382 -7.3967 -7.3967 -6.7774 -6.7774 -5.4657 -5.4657 -3.6402 -3.6402 -1.3106 -1.3106 -1.2192 -1.2192 0.2729 0.2729 1.0800 1.0800 1.3363 1.3363 1.5869 1.5869 1.8718 1.8718 3.4791 3.4791 3.7478 3.7478 5.0902 5.0902 5.4421 5.4421 6.8003 6.8003 7.7845 7.7845 8.7854 8.7854 9.4092 9.4092 10.2281 10.2281 10.4395 10.4395 16.3366 16.3366 17.1387 17.1387 17.3142 17.3142 17.5983 17.5983 18.4275 18.4275 k =-0.5000 0.2933 0.0959 ( 2388 PWs) bands (ev): -12.2721 -12.2721 -9.6198 -9.6198 -8.7438 -8.7438 -7.3084 -7.3084 -6.7801 -6.7801 -5.4378 -5.4378 -3.7449 -3.7449 -1.2628 -1.2628 -1.1440 -1.1440 0.2121 0.2121 0.9945 0.9945 1.3236 1.3236 1.5789 1.5789 1.8751 1.8751 3.4782 3.4782 3.7408 3.7408 5.1209 5.1209 5.4685 5.4685 6.8021 6.8021 7.7679 7.7679 8.7891 8.7891 9.4032 9.4032 10.2444 10.2444 10.4631 10.4631 16.3036 16.3036 17.1185 17.1185 17.3179 17.3179 17.5624 17.5624 18.4535 18.4535 k =-0.5000 0.2933 0.0822 ( 2392 PWs) bands (ev): -12.2860 -12.2860 -9.6297 -9.6297 -8.7488 -8.7488 -7.2272 -7.2272 -6.7824 -6.7824 -5.4131 -5.4131 -3.8404 -3.8404 -1.2176 -1.2176 -1.0725 -1.0725 0.1551 0.1551 0.9137 0.9137 1.3126 1.3126 1.5712 1.5712 1.8786 1.8786 3.4776 3.4776 3.7352 3.7352 5.1477 5.1477 5.4913 5.4913 6.8041 6.8041 7.7522 7.7522 8.7932 8.7932 9.3976 9.3976 10.2587 10.2587 10.4839 10.4839 16.2743 16.2743 17.1008 17.1008 17.3217 17.3217 17.5314 17.5314 18.4758 18.4758 k =-0.5000 0.2933 0.0685 ( 2392 PWs) bands (ev): -12.2977 -12.2977 -9.6381 -9.6381 -8.7531 -8.7531 -7.1545 -7.1545 -6.7845 -6.7845 -5.3919 -5.3919 -3.9252 -3.9252 -1.1759 -1.1759 -1.0061 -1.0061 0.1031 0.1031 0.8393 0.8393 1.3033 1.3033 1.5644 1.5644 1.8819 1.8819 3.4771 3.4771 3.7306 3.7306 5.1706 5.1706 5.5105 5.5105 6.8060 6.8060 7.7379 7.7379 8.7973 8.7973 9.3927 9.3927 10.2710 10.2710 10.5016 10.5016 16.2490 16.2490 17.0856 17.0856 17.3254 17.3254 17.5051 17.5051 18.4946 18.4946 k =-0.5000 0.2933 0.0548 ( 2392 PWs) bands (ev): -12.3073 -12.3073 -9.6450 -9.6450 -8.7566 -8.7566 -7.0919 -7.0919 -6.7862 -6.7862 -5.3744 -5.3744 -3.9978 -3.9978 -1.1389 -1.1389 -0.9469 -0.9469 0.0575 0.0575 0.7733 0.7733 1.2957 1.2957 1.5585 1.5585 1.8848 1.8848 3.4768 3.4768 3.7271 3.7271 5.1895 5.1895 5.5263 5.5263 6.8078 6.8078 7.7257 7.7257 8.8011 8.8011 9.3885 9.3885 10.2812 10.2812 10.5162 10.5162 16.2280 16.2280 17.0730 17.0730 17.3288 17.3288 17.4837 17.4837 18.5098 18.5098 k =-0.5000 0.2933 0.0411 ( 2392 PWs) bands (ev): -12.3148 -12.3148 -9.6504 -9.6504 -8.7594 -8.7594 -7.0411 -7.0411 -6.7875 -6.7875 -5.3606 -5.3606 -4.0565 -4.0565 -1.1079 -1.1079 -0.8970 -0.8970 0.0196 0.0196 0.7181 0.7181 1.2899 1.2899 1.5538 1.5538 1.8873 1.8873 3.4766 3.4766 3.7244 3.7244 5.2044 5.2044 5.5386 5.5386 6.8094 6.8094 7.7157 7.7157 8.8043 8.8043 9.3852 9.3852 10.2892 10.2892 10.5276 10.5276 16.2115 16.2115 17.0631 17.0631 17.3316 17.3316 17.4670 17.4670 18.5216 18.5216 k =-0.5000 0.2933 0.0274 ( 2400 PWs) bands (ev): -12.3201 -12.3201 -9.6542 -9.6542 -8.7614 -8.7614 -7.0034 -7.0034 -6.7885 -6.7885 -5.3507 -5.3507 -4.0998 -4.0998 -1.0843 -1.0843 -0.8589 -0.8589 -0.0090 -0.0090 0.6761 0.6761 1.2857 1.2857 1.5503 1.5503 1.8890 1.8890 3.4764 3.4764 3.7226 3.7226 5.2150 5.2150 5.5473 5.5473 6.8105 6.8105 7.7084 7.7084 8.8068 8.8068 9.3828 9.3828 10.2949 10.2949 10.5358 10.5358 16.1995 16.1995 17.0560 17.0560 17.3337 17.3337 17.4551 17.4551 18.5300 18.5300 k =-0.5000 0.2933 0.0137 ( 2404 PWs) bands (ev): -12.3233 -12.3233 -9.6565 -9.6565 -8.7626 -8.7626 -6.9802 -6.9802 -6.7891 -6.7891 -5.3447 -5.3447 -4.1263 -4.1263 -1.0695 -1.0695 -0.8349 -0.8349 -0.0268 -0.0268 0.6498 0.6498 1.2831 1.2831 1.5482 1.5482 1.8901 1.8901 3.4763 3.4763 3.7215 3.7215 5.2214 5.2214 5.5526 5.5526 6.8113 6.8113 7.7039 7.7039 8.8083 8.8083 9.3813 9.3813 10.2983 10.2983 10.5407 10.5407 16.1923 16.1923 17.0518 17.0518 17.3350 17.3350 17.4480 17.4480 18.5350 18.5350 k =-0.5000 0.2933 0.0000 ( 2414 PWs) bands (ev): -12.3244 -12.3244 -9.6573 -9.6573 -8.7630 -8.7630 -6.9724 -6.9724 -6.7893 -6.7893 -5.3427 -5.3427 -4.1352 -4.1352 -1.0644 -1.0644 -0.8267 -0.8267 -0.0329 -0.0329 0.6408 0.6408 1.2823 1.2823 1.5475 1.5475 1.8905 1.8905 3.4763 3.4763 3.7212 3.7212 5.2235 5.2235 5.5543 5.5543 6.8115 6.8115 7.7024 7.7024 8.8088 8.8088 9.3808 9.3808 10.2995 10.2995 10.5423 10.5423 16.1899 16.1899 17.0503 17.0503 17.3354 17.3354 17.4456 17.4456 18.5367 18.5367 k = 0.0000 0.0000 0.5482 ( 2400 PWs) bands (ev): -11.4512 -11.4512 -11.4512 -11.4512 -6.9530 -6.9530 -6.9529 -6.9529 -5.8508 -5.8508 -5.8508 -5.8508 -4.4722 -4.4722 -4.4722 -4.4722 0.6056 0.6056 0.6056 0.6056 0.9313 0.9313 0.9314 0.9314 1.7179 1.7179 1.7179 1.7179 4.1468 4.1468 4.1469 4.1469 4.2555 4.2555 4.2555 4.2555 8.3830 8.3830 8.3830 8.3830 9.5535 9.5535 9.5535 9.5535 10.1711 10.1711 10.1711 10.1711 16.8517 16.8517 16.8517 16.8517 17.8431 17.8431 17.8432 17.8432 18.9974 18.9974 k =-0.0119 0.0070 0.5482 ( 2404 PWs) bands (ev): -11.4505 -11.4505 -11.4504 -11.4504 -6.9551 -6.9551 -6.9551 -6.9551 -5.8548 -5.8548 -5.8546 -5.8546 -4.4668 -4.4667 -4.4666 -4.4666 0.5982 0.5982 0.5989 0.5989 0.9385 0.9386 0.9393 0.9393 1.7198 1.7198 1.7200 1.7200 4.1436 4.1436 4.1443 4.1444 4.2573 4.2574 4.2580 4.2581 8.3828 8.3828 8.3829 8.3829 9.5468 9.5469 9.5479 9.5480 10.1736 10.1736 10.1746 10.1746 16.8508 16.8508 16.8510 16.8510 17.8450 17.8451 17.8453 17.8454 18.9967 18.9967 k =-0.0238 0.0140 0.5482 ( 2406 PWs) bands (ev): -11.4482 -11.4482 -11.4482 -11.4482 -6.9617 -6.9617 -6.9616 -6.9615 -5.8663 -5.8663 -5.8659 -5.8659 -4.4505 -4.4505 -4.4502 -4.4502 0.5785 0.5785 0.5797 0.5797 0.9593 0.9593 0.9607 0.9607 1.7256 1.7256 1.7259 1.7259 4.1351 4.1352 4.1365 4.1365 4.2632 4.2632 4.2644 4.2644 8.3823 8.3823 8.3826 8.3826 9.5286 9.5286 9.5307 9.5307 10.1818 10.1818 10.1837 10.1837 16.8483 16.8484 16.8488 16.8488 17.8510 17.8510 17.8516 17.8516 18.9947 18.9947 k =-0.0357 0.0210 0.5482 ( 2402 PWs) bands (ev): -11.4444 -11.4444 -11.4443 -11.4443 -6.9726 -6.9725 -6.9724 -6.9724 -5.8846 -5.8846 -5.8841 -5.8841 -4.4242 -4.4241 -4.4237 -4.4237 0.5501 0.5501 0.5517 0.5517 0.9900 0.9900 0.9918 0.9919 1.7351 1.7351 1.7355 1.7355 4.1228 4.1228 4.1245 4.1246 4.2718 4.2718 4.2734 4.2734 8.3816 8.3816 8.3821 8.3821 9.5000 9.5000 9.5030 9.5030 10.1946 10.1946 10.1973 10.1973 16.8445 16.8446 16.8452 16.8452 17.8608 17.8609 17.8617 17.8618 18.9913 18.9913 k =-0.0476 0.0279 0.5482 ( 2398 PWs) bands (ev): -11.4390 -11.4390 -11.4390 -11.4390 -6.9878 -6.9878 -6.9876 -6.9876 -5.9088 -5.9087 -5.9081 -5.9081 -4.3886 -4.3886 -4.3881 -4.3880 0.5166 0.5166 0.5183 0.5183 1.0274 1.0274 1.0295 1.0295 1.7483 1.7483 1.7488 1.7488 4.1074 4.1074 4.1094 4.1095 4.2821 4.2821 4.2839 4.2839 8.3806 8.3807 8.3813 8.3813 9.4626 9.4626 9.4663 9.4663 10.2105 10.2105 10.2139 10.2139 16.8395 16.8396 16.8403 16.8404 17.8743 17.8743 17.8755 17.8755 18.9862 18.9862 k =-0.0595 0.0349 0.5482 ( 2396 PWs) bands (ev): -11.4322 -11.4322 -11.4322 -11.4321 -7.0075 -7.0074 -7.0072 -7.0072 -5.9376 -5.9375 -5.9368 -5.9368 -4.3451 -4.3451 -4.3445 -4.3444 0.4801 0.4801 0.4820 0.4820 1.0691 1.0691 1.0714 1.0715 1.7649 1.7649 1.7656 1.7656 4.0897 4.0897 4.0919 4.0919 4.2934 4.2934 4.2953 4.2953 8.3795 8.3795 8.3803 8.3803 9.4179 9.4179 9.4222 9.4222 10.2282 10.2282 10.2320 10.2320 16.8335 16.8336 16.8345 16.8346 17.8910 17.8911 17.8925 17.8925 18.9790 18.9791 k =-0.0714 0.0419 0.5482 ( 2400 PWs) bands (ev): -11.4238 -11.4238 -11.4238 -11.4238 -7.0315 -7.0315 -7.0312 -7.0312 -5.9698 -5.9698 -5.9689 -5.9689 -4.2949 -4.2948 -4.2941 -4.2940 0.4423 0.4423 0.4442 0.4442 1.1139 1.1139 1.1163 1.1164 1.7847 1.7847 1.7855 1.7855 4.0700 4.0701 4.0724 4.0724 4.3052 4.3052 4.3071 4.3072 8.3780 8.3780 8.3790 8.3790 9.3675 9.3675 9.3721 9.3721 10.2463 10.2463 10.2504 10.2505 16.8268 16.8269 16.8280 16.8280 17.9106 17.9106 17.9123 17.9123 18.9695 18.9695 k =-0.0833 0.0489 0.5482 ( 2408 PWs) bands (ev): -11.4140 -11.4140 -11.4140 -11.4140 -7.0599 -7.0599 -7.0596 -7.0596 -6.0043 -6.0043 -6.0034 -6.0034 -4.2389 -4.2389 -4.2381 -4.2380 0.4041 0.4041 0.4061 0.4061 1.1609 1.1609 1.1634 1.1634 1.8073 1.8073 1.8082 1.8082 4.0485 4.0486 4.0510 4.0510 4.3172 4.3172 4.3192 4.3192 8.3764 8.3764 8.3775 8.3776 9.3125 9.3125 9.3175 9.3175 10.2639 10.2639 10.2682 10.2683 16.8197 16.8197 16.8210 16.8210 17.9326 17.9326 17.9345 17.9345 18.9572 18.9573 k =-0.0952 0.0559 0.5482 ( 2408 PWs) bands (ev): -11.4027 -11.4027 -11.4027 -11.4027 -7.0927 -7.0926 -7.0923 -7.0923 -6.0401 -6.0401 -6.0392 -6.0392 -4.1784 -4.1784 -4.1775 -4.1774 0.3663 0.3663 0.3683 0.3683 1.2096 1.2097 1.2122 1.2122 1.8326 1.8326 1.8336 1.8336 4.0253 4.0254 4.0279 4.0279 4.3293 4.3293 4.3313 4.3313 8.3745 8.3745 8.3759 8.3759 9.2540 9.2540 9.2592 9.2592 10.2802 10.2802 10.2847 10.2847 16.8124 16.8125 16.8138 16.8139 17.9565 17.9565 17.9586 17.9586 18.9422 18.9422 k =-0.1071 0.0629 0.5482 ( 2404 PWs) bands (ev): -11.3899 -11.3899 -11.3899 -11.3899 -7.1296 -7.1296 -7.1293 -7.1293 -6.0765 -6.0764 -6.0755 -6.0755 -4.1142 -4.1142 -4.1132 -4.1132 0.3293 0.3294 0.3313 0.3313 1.2599 1.2599 1.2625 1.2625 1.8601 1.8601 1.8611 1.8611 4.0004 4.0005 4.0030 4.0031 4.3413 4.3413 4.3433 4.3433 8.3723 8.3723 8.3739 8.3739 9.1930 9.1930 9.1984 9.1984 10.2946 10.2946 10.2993 10.2993 16.8053 16.8053 16.8068 16.8068 17.9817 17.9818 17.9840 17.9840 18.9243 18.9244 k =-0.1190 0.0698 0.5482 ( 2408 PWs) bands (ev): -11.3758 -11.3757 -11.3757 -11.3757 -7.1707 -7.1707 -7.1703 -7.1703 -6.1126 -6.1126 -6.1116 -6.1116 -4.0472 -4.0471 -4.0462 -4.0461 0.2936 0.2936 0.2955 0.2956 1.3115 1.3115 1.3141 1.3141 1.8894 1.8894 1.8905 1.8905 3.9739 3.9739 3.9765 3.9766 4.3531 4.3532 4.3551 4.3552 8.3697 8.3697 8.3716 8.3716 9.1303 9.1303 9.1359 9.1359 10.3068 10.3068 10.3115 10.3115 16.7985 16.7985 16.8001 16.8001 18.0079 18.0079 18.0103 18.0103 18.9038 18.9039 k =-0.1310 0.0768 0.5482 ( 2404 PWs) bands (ev): -11.3602 -11.3601 -11.3601 -11.3601 -7.2156 -7.2156 -7.2152 -7.2152 -6.1481 -6.1481 -6.1471 -6.1471 -3.9780 -3.9780 -3.9769 -3.9769 0.2595 0.2595 0.2614 0.2614 1.3643 1.3643 1.3669 1.3669 1.9202 1.9202 1.9214 1.9214 3.9456 3.9456 3.9483 3.9484 4.3647 4.3647 4.3667 4.3667 8.3666 8.3666 8.3687 8.3687 9.0668 9.0668 9.0726 9.0726 10.3164 10.3164 10.3212 10.3212 16.7923 16.7923 16.7940 16.7940 18.0342 18.0343 18.0367 18.0368 18.8811 18.8811 k =-0.1429 0.0838 0.5482 ( 2404 PWs) bands (ev): -11.3432 -11.3432 -11.3431 -11.3431 -7.2641 -7.2641 -7.2638 -7.2638 -6.1825 -6.1825 -6.1815 -6.1815 -3.9073 -3.9073 -3.9062 -3.9062 0.2273 0.2273 0.2291 0.2291 1.4184 1.4184 1.4210 1.4210 1.9521 1.9521 1.9534 1.9534 3.9157 3.9157 3.9185 3.9185 4.3758 4.3759 4.3778 4.3778 8.3625 8.3625 8.3650 8.3650 9.0034 9.0034 9.0094 9.0094 10.3233 10.3233 10.3281 10.3281 16.7869 16.7869 16.7886 16.7887 18.0603 18.0603 18.0628 18.0629 18.8568 18.8568 k =-0.1548 0.0908 0.5482 ( 2396 PWs) bands (ev): -11.3248 -11.3248 -11.3248 -11.3248 -7.3160 -7.3160 -7.3157 -7.3156 -6.2157 -6.2157 -6.2147 -6.2147 -3.8356 -3.8356 -3.8345 -3.8345 0.1972 0.1972 0.1990 0.1990 1.4736 1.4736 1.4762 1.4762 1.9848 1.9848 1.9861 1.9861 3.8840 3.8841 3.8869 3.8869 4.3865 4.3866 4.3885 4.3885 8.3572 8.3572 8.3601 8.3601 8.9412 8.9412 8.9473 8.9473 10.3274 10.3274 10.3321 10.3321 16.7824 16.7824 16.7842 16.7842 18.0853 18.0853 18.0879 18.0879 18.8316 18.8316 k =-0.1667 0.0978 0.5482 ( 2392 PWs) bands (ev): -11.3052 -11.3052 -11.3052 -11.3052 -7.3709 -7.3709 -7.3705 -7.3705 -6.2475 -6.2475 -6.2466 -6.2466 -3.7635 -3.7634 -3.7624 -3.7623 0.1694 0.1695 0.1713 0.1713 1.5300 1.5300 1.5325 1.5325 2.0179 2.0179 2.0192 2.0192 3.8508 3.8508 3.8537 3.8537 4.3966 4.3966 4.3985 4.3986 8.3497 8.3498 8.3531 8.3531 8.8814 8.8814 8.8876 8.8876 10.3285 10.3285 10.3332 10.3332 16.7790 16.7790 16.7809 16.7809 18.1085 18.1086 18.1111 18.1112 18.8065 18.8065 k =-0.1786 0.1048 0.5482 ( 2388 PWs) bands (ev): -11.2843 -11.2843 -11.2842 -11.2842 -7.4284 -7.4284 -7.4280 -7.4280 -6.2779 -6.2779 -6.2770 -6.2769 -3.6913 -3.6913 -3.6902 -3.6902 0.1444 0.1444 0.1462 0.1462 1.5874 1.5875 1.5899 1.5899 2.0510 2.0510 2.0524 2.0524 3.8159 3.8159 3.8188 3.8189 4.4060 4.4060 4.4079 4.4079 8.3393 8.3393 8.3431 8.3431 8.8255 8.8255 8.8319 8.8319 10.3266 10.3267 10.3313 10.3313 16.7768 16.7768 16.7787 16.7787 18.1292 18.1292 18.1317 18.1318 18.7825 18.7825 k =-0.1905 0.1117 0.5482 ( 2388 PWs) bands (ev): -11.2621 -11.2621 -11.2621 -11.2621 -7.4882 -7.4881 -7.4878 -7.4878 -6.3068 -6.3068 -6.3059 -6.3059 -3.6195 -3.6195 -3.6184 -3.6184 0.1221 0.1221 0.1239 0.1239 1.6459 1.6459 1.6483 1.6483 2.0838 2.0838 2.0853 2.0853 3.7794 3.7794 3.7824 3.7825 4.4145 4.4145 4.4163 4.4164 8.3243 8.3243 8.3287 8.3287 8.7754 8.7754 8.7819 8.7819 10.3218 10.3219 10.3265 10.3265 16.7759 16.7759 16.7778 16.7778 18.1462 18.1463 18.1487 18.1488 18.7609 18.7609 k =-0.2024 0.1187 0.5482 ( 2384 PWs) bands (ev): -11.2388 -11.2388 -11.2388 -11.2387 -7.5498 -7.5498 -7.5495 -7.5495 -6.3342 -6.3342 -6.3334 -6.3334 -3.5484 -3.5484 -3.5473 -3.5473 0.1029 0.1029 0.1047 0.1047 1.7053 1.7053 1.7077 1.7077 2.1161 2.1161 2.1175 2.1176 3.7414 3.7415 3.7446 3.7446 4.4220 4.4221 4.4239 4.4239 8.3035 8.3035 8.3083 8.3083 8.7332 8.7332 8.7396 8.7396 10.3141 10.3142 10.3187 10.3187 16.7763 16.7763 16.7782 16.7783 18.1588 18.1588 18.1612 18.1612 18.7429 18.7429 k =-0.2143 0.1257 0.5482 ( 2388 PWs) bands (ev): -11.2144 -11.2143 -11.2143 -11.2143 -7.6130 -7.6130 -7.6128 -7.6127 -6.3603 -6.3603 -6.3595 -6.3595 -3.4785 -3.4784 -3.4774 -3.4773 0.0869 0.0869 0.0886 0.0887 1.7655 1.7655 1.7678 1.7678 2.1474 2.1474 2.1489 2.1489 3.7022 3.7022 3.7054 3.7054 4.4285 4.4285 4.4303 4.4303 8.2754 8.2754 8.2806 8.2806 8.7004 8.7005 8.7068 8.7068 10.3036 10.3036 10.3081 10.3081 16.7781 16.7782 16.7801 16.7801 18.1658 18.1658 18.1680 18.1681 18.7297 18.7297 k =-0.2262 0.1327 0.5482 ( 2392 PWs) bands (ev): -11.1889 -11.1888 -11.1888 -11.1888 -7.6774 -7.6774 -7.6772 -7.6771 -6.3851 -6.3851 -6.3843 -6.3843 -3.4099 -3.4099 -3.4088 -3.4088 0.0743 0.0743 0.0760 0.0760 1.8264 1.8264 1.8286 1.8286 2.1775 2.1775 2.1790 2.1791 3.6617 3.6617 3.6650 3.6650 4.4338 4.4338 4.4356 4.4356 8.2396 8.2396 8.2451 8.2451 8.6782 8.6782 8.6844 8.6844 10.2902 10.2902 10.2947 10.2947 16.7814 16.7814 16.7834 16.7834 18.1665 18.1666 18.1686 18.1687 18.7224 18.7224 k =-0.2381 0.1397 0.5482 ( 2404 PWs) bands (ev): -11.1624 -11.1623 -11.1623 -11.1623 -7.7426 -7.7426 -7.7424 -7.7424 -6.4086 -6.4086 -6.4079 -6.4079 -3.3432 -3.3431 -3.3421 -3.3420 0.0652 0.0652 0.0669 0.0669 1.8877 1.8877 1.8899 1.8899 2.2062 2.2062 2.2077 2.2078 3.6203 3.6203 3.6237 3.6237 4.4377 4.4378 4.4395 4.4395 8.1968 8.1968 8.2023 8.2023 8.6661 8.6661 8.6719 8.6719 10.2741 10.2741 10.2785 10.2785 16.7861 16.7861 16.7881 16.7881 18.1607 18.1607 18.1626 18.1627 18.7215 18.7215 k =-0.2500 0.1467 0.5482 ( 2408 PWs) bands (ev): -11.1350 -11.1350 -11.1349 -11.1349 -7.8083 -7.8083 -7.8081 -7.8081 -6.4309 -6.4309 -6.4302 -6.4302 -3.2784 -3.2784 -3.2773 -3.2773 0.0599 0.0599 0.0615 0.0615 1.9493 1.9493 1.9514 1.9514 2.2331 2.2331 2.2347 2.2347 3.5782 3.5782 3.5817 3.5817 4.4403 4.4404 4.4420 4.4421 8.1483 8.1483 8.1538 8.1538 8.6631 8.6631 8.6685 8.6685 10.2554 10.2554 10.2598 10.2598 16.7922 16.7923 16.7942 16.7943 18.1483 18.1484 18.1502 18.1502 18.7272 18.7272 k =-0.2619 0.1536 0.5482 ( 2412 PWs) bands (ev): -11.1068 -11.1067 -11.1067 -11.1067 -7.8742 -7.8742 -7.8740 -7.8740 -6.4520 -6.4520 -6.4514 -6.4514 -3.2159 -3.2159 -3.2149 -3.2149 0.0583 0.0583 0.0599 0.0599 2.0107 2.0108 2.0128 2.0128 2.2581 2.2581 2.2598 2.2598 3.5358 3.5358 3.5393 3.5393 4.4414 4.4415 4.4431 4.4431 8.0959 8.0959 8.1013 8.1013 8.6677 8.6677 8.6728 8.6728 10.2342 10.2342 10.2385 10.2385 16.7999 16.7999 16.8019 16.8019 18.1301 18.1301 18.1319 18.1319 18.7390 18.7390 k =-0.2738 0.1606 0.5482 ( 2408 PWs) bands (ev): -11.0778 -11.0778 -11.0778 -11.0778 -7.9400 -7.9400 -7.9398 -7.9398 -6.4721 -6.4721 -6.4715 -6.4715 -3.1560 -3.1560 -3.1550 -3.1550 0.0606 0.0606 0.0622 0.0622 2.0716 2.0716 2.0735 2.0735 2.2812 2.2812 2.2829 2.2829 3.4935 3.4935 3.4970 3.4971 4.4410 4.4410 4.4427 4.4427 8.0411 8.0411 8.0463 8.0463 8.6786 8.6786 8.6833 8.6834 10.2106 10.2106 10.2148 10.2148 16.8090 16.8090 16.8110 16.8110 18.1069 18.1069 18.1086 18.1086 18.7562 18.7563 k =-0.2857 0.1676 0.5482 ( 2404 PWs) bands (ev): -11.0483 -11.0483 -11.0482 -11.0482 -8.0053 -8.0053 -8.0051 -8.0051 -6.4910 -6.4910 -6.4905 -6.4905 -3.0989 -3.0989 -3.0979 -3.0978 0.0667 0.0667 0.0683 0.0683 2.1309 2.1309 2.1328 2.1328 2.3025 2.3025 2.3042 2.3042 3.4517 3.4517 3.4553 3.4553 4.4390 4.4390 4.4406 4.4406 7.9852 7.9852 7.9902 7.9902 8.6948 8.6948 8.6993 8.6993 10.1847 10.1847 10.1888 10.1889 16.8195 16.8195 16.8215 16.8216 18.0796 18.0796 18.0813 18.0813 18.7781 18.7781 k =-0.2976 0.1746 0.5482 ( 2408 PWs) bands (ev): -11.0183 -11.0182 -11.0182 -11.0182 -8.0699 -8.0699 -8.0698 -8.0698 -6.5090 -6.5090 -6.5085 -6.5085 -3.0447 -3.0447 -3.0437 -3.0437 0.0768 0.0768 0.0783 0.0783 2.1871 2.1871 2.1888 2.1888 2.3231 2.3231 2.3248 2.3248 3.4109 3.4109 3.4146 3.4146 4.4354 4.4354 4.4369 4.4370 7.9290 7.9290 7.9338 7.9338 8.7154 8.7154 8.7197 8.7197 10.1566 10.1566 10.1607 10.1607 16.8314 16.8314 16.8335 16.8335 18.0492 18.0492 18.0509 18.0510 18.8036 18.8036 k =-0.3095 0.1816 0.5482 ( 2404 PWs) bands (ev): -10.9879 -10.9879 -10.9879 -10.9878 -8.1335 -8.1335 -8.1334 -8.1334 -6.5259 -6.5259 -6.5254 -6.5254 -2.9936 -2.9936 -2.9927 -2.9927 0.0906 0.0906 0.0921 0.0921 2.2364 2.2364 2.2380 2.2381 2.3459 2.3460 2.3476 2.3477 3.3719 3.3719 3.3757 3.3757 4.4301 4.4302 4.4317 4.4317 7.8735 7.8735 7.8781 7.8781 8.7400 8.7400 8.7441 8.7441 10.1264 10.1264 10.1304 10.1304 16.8447 16.8447 16.8468 16.8468 18.0165 18.0165 18.0182 18.0183 18.8322 18.8322 k =-0.3214 0.1886 0.5482 ( 2404 PWs) bands (ev): -10.9574 -10.9573 -10.9573 -10.9573 -8.1958 -8.1958 -8.1957 -8.1957 -6.5417 -6.5417 -6.5413 -6.5413 -2.9458 -2.9458 -2.9449 -2.9449 0.1080 0.1080 0.1095 0.1095 2.2723 2.2723 2.2739 2.2740 2.3768 2.3768 2.3785 2.3785 3.3353 3.3353 3.3391 3.3391 4.4233 4.4233 4.4248 4.4248 7.8192 7.8192 7.8236 7.8236 8.7680 8.7681 8.7720 8.7720 10.0942 10.0942 10.0982 10.0982 16.8593 16.8593 16.8614 16.8614 17.9821 17.9822 17.9839 17.9839 18.8631 18.8631 k =-0.3333 0.1956 0.5482 ( 2406 PWs) bands (ev): -10.9268 -10.9268 -10.9268 -10.9268 -8.2565 -8.2565 -8.2564 -8.2564 -6.5566 -6.5566 -6.5562 -6.5562 -2.9014 -2.9013 -2.9005 -2.9005 0.1289 0.1289 0.1303 0.1303 2.2910 2.2910 2.2927 2.2927 2.4188 2.4188 2.4205 2.4205 3.3017 3.3017 3.3055 3.3055 4.4150 4.4150 4.4164 4.4164 7.7665 7.7665 7.7707 7.7707 8.7992 8.7992 8.8030 8.8030 10.0601 10.0601 10.0640 10.0641 16.8752 16.8752 16.8773 16.8774 17.9466 17.9467 17.9484 17.9484 18.8958 18.8958 k =-0.3452 0.2025 0.5482 ( 2398 PWs) bands (ev): -10.8965 -10.8965 -10.8964 -10.8964 -8.3154 -8.3153 -8.3153 -8.3152 -6.5705 -6.5705 -6.5701 -6.5701 -2.8603 -2.8603 -2.8595 -2.8594 0.1530 0.1530 0.1544 0.1544 2.2964 2.2964 2.2981 2.2981 2.4675 2.4675 2.4691 2.4691 3.2719 3.2719 3.2756 3.2756 4.4052 4.4053 4.4066 4.4067 7.7159 7.7159 7.7198 7.7198 8.8331 8.8331 8.8368 8.8368 10.0243 10.0243 10.0282 10.0282 16.8923 16.8923 16.8944 16.8945 17.9104 17.9105 17.9122 17.9123 18.9296 18.9296 k =-0.3571 0.2095 0.5482 ( 2396 PWs) bands (ev): -10.8666 -10.8665 -10.8665 -10.8665 -8.3720 -8.3719 -8.3719 -8.3719 -6.5834 -6.5834 -6.5831 -6.5831 -2.8226 -2.8226 -2.8219 -2.8219 0.1798 0.1798 0.1811 0.1811 2.2928 2.2928 2.2945 2.2945 2.5179 2.5179 2.5194 2.5194 3.2463 3.2463 3.2499 3.2499 4.3942 4.3942 4.3955 4.3956 7.6677 7.6677 7.6714 7.6714 8.8695 8.8696 8.8731 8.8732 9.9868 9.9868 9.9907 9.9907 16.9105 16.9106 16.9127 16.9127 17.8739 17.8739 17.8757 17.8758 18.9640 18.9640 k =-0.3690 0.2165 0.5482 ( 2396 PWs) bands (ev): -10.8373 -10.8373 -10.8373 -10.8373 -8.4260 -8.4260 -8.4259 -8.4259 -6.5953 -6.5953 -6.5950 -6.5950 -2.7884 -2.7884 -2.7877 -2.7877 0.2090 0.2090 0.2102 0.2102 2.2825 2.2825 2.2841 2.2841 2.5674 2.5674 2.5688 2.5688 3.2254 3.2254 3.2289 3.2289 4.3821 4.3821 4.3833 4.3834 7.6223 7.6223 7.6256 7.6257 8.9082 8.9082 8.9117 8.9118 9.9478 9.9478 9.9516 9.9516 16.9297 16.9298 16.9318 16.9319 17.8374 17.8374 17.8392 17.8393 18.9985 18.9985 k =-0.3810 0.2235 0.5482 ( 2396 PWs) bands (ev): -10.8090 -10.8090 -10.8090 -10.8089 -8.4772 -8.4772 -8.4771 -8.4771 -6.6062 -6.6062 -6.6059 -6.6059 -2.7576 -2.7576 -2.7569 -2.7569 0.2400 0.2400 0.2411 0.2411 2.2668 2.2668 2.2683 2.2683 2.6145 2.6146 2.6159 2.6159 3.2095 3.2095 3.2129 3.2129 4.3690 4.3690 4.3702 4.3702 7.5798 7.5798 7.5829 7.5829 8.9488 8.9489 8.9523 8.9524 9.9074 9.9074 9.9112 9.9112 16.9498 16.9498 16.9519 16.9519 17.8012 17.8012 17.8030 17.8031 19.0323 19.0323 k =-0.3929 0.2305 0.5482 ( 2396 PWs) bands (ev): -10.7819 -10.7819 -10.7819 -10.7819 -8.5252 -8.5252 -8.5251 -8.5251 -6.6160 -6.6160 -6.6158 -6.6158 -2.7301 -2.7301 -2.7295 -2.7295 0.2721 0.2721 0.2731 0.2731 2.2468 2.2468 2.2481 2.2482 2.6583 2.6583 2.6595 2.6595 3.1986 3.1986 3.2017 3.2017 4.3553 4.3554 4.3565 4.3565 7.5406 7.5406 7.5434 7.5434 8.9912 8.9912 8.9947 8.9947 9.8657 9.8657 9.8694 9.8695 16.9705 16.9705 16.9725 16.9726 17.7656 17.7657 17.7675 17.7675 19.0649 19.0649 k =-0.4048 0.2375 0.5482 ( 2396 PWs) bands (ev): -10.7564 -10.7564 -10.7563 -10.7563 -8.5695 -8.5695 -8.5695 -8.5695 -6.6249 -6.6249 -6.6247 -6.6247 -2.7058 -2.7058 -2.7053 -2.7053 0.3046 0.3046 0.3055 0.3056 2.2237 2.2237 2.2249 2.2249 2.6980 2.6980 2.6991 2.6991 3.1924 3.1924 3.1953 3.1953 4.3413 4.3414 4.3424 4.3424 7.5048 7.5048 7.5074 7.5074 9.0350 9.0350 9.0384 9.0385 9.8229 9.8229 9.8266 9.8266 16.9916 16.9916 16.9936 16.9936 17.7311 17.7311 17.7329 17.7329 19.0956 19.0956 k =-0.4167 0.2444 0.5482 ( 2390 PWs) bands (ev): -10.7327 -10.7327 -10.7327 -10.7326 -8.6099 -8.6099 -8.6098 -8.6098 -6.6327 -6.6327 -6.6325 -6.6325 -2.6847 -2.6847 -2.6842 -2.6842 0.3366 0.3366 0.3375 0.3375 2.1986 2.1986 2.1997 2.1997 2.7331 2.7331 2.7340 2.7340 3.1905 3.1905 3.1931 3.1931 4.3274 4.3275 4.3284 4.3284 7.4728 7.4728 7.4750 7.4750 9.0800 9.0800 9.0834 9.0834 9.7791 9.7792 9.7828 9.7828 17.0128 17.0128 17.0147 17.0147 17.6979 17.6979 17.6996 17.6997 19.1237 19.1237 k =-0.4286 0.2514 0.5482 ( 2386 PWs) bands (ev): -10.7112 -10.7112 -10.7112 -10.7112 -8.6459 -8.6459 -8.6459 -8.6458 -6.6395 -6.6395 -6.6394 -6.6394 -2.6667 -2.6666 -2.6663 -2.6662 0.3674 0.3674 0.3682 0.3682 2.1730 2.1730 2.1739 2.1739 2.7631 2.7632 2.7639 2.7639 3.1922 3.1922 3.1945 3.1945 4.3140 4.3140 4.3149 4.3149 7.4446 7.4446 7.4466 7.4466 9.1258 9.1258 9.1292 9.1292 9.7346 9.7347 9.7382 9.7382 17.0336 17.0337 17.0354 17.0355 17.6666 17.6666 17.6683 17.6683 19.1487 19.1487 k =-0.4405 0.2584 0.5482 ( 2382 PWs) bands (ev): -10.6923 -10.6923 -10.6923 -10.6923 -8.6772 -8.6772 -8.6771 -8.6771 -6.6453 -6.6453 -6.6452 -6.6452 -2.6516 -2.6516 -2.6512 -2.6512 0.3958 0.3958 0.3964 0.3965 2.1481 2.1482 2.1489 2.1489 2.7881 2.7881 2.7887 2.7888 3.1965 3.1965 3.1984 3.1984 4.3015 4.3015 4.3023 4.3023 7.4205 7.4205 7.4221 7.4221 9.1721 9.1721 9.1754 9.1754 9.6897 9.6897 9.6932 9.6933 17.0536 17.0536 17.0552 17.0553 17.6378 17.6378 17.6393 17.6394 19.1700 19.1700 k =-0.4524 0.2654 0.5482 ( 2376 PWs) bands (ev): -10.6763 -10.6763 -10.6763 -10.6763 -8.7033 -8.7033 -8.7033 -8.7033 -6.6500 -6.6500 -6.6499 -6.6499 -2.6394 -2.6394 -2.6391 -2.6391 0.4209 0.4209 0.4214 0.4214 2.1255 2.1255 2.1261 2.1261 2.8080 2.8080 2.8085 2.8085 3.2022 3.2022 3.2038 3.2038 4.2904 4.2904 4.2910 4.2911 7.4006 7.4006 7.4019 7.4019 9.2182 9.2182 9.2214 9.2215 9.6449 9.6449 9.6483 9.6483 17.0720 17.0720 17.0734 17.0734 17.6122 17.6123 17.6136 17.6136 19.1876 19.1876 k =-0.4643 0.2724 0.5482 ( 2384 PWs) bands (ev): -10.6635 -10.6635 -10.6635 -10.6635 -8.7241 -8.7241 -8.7240 -8.7240 -6.6537 -6.6537 -6.6536 -6.6536 -2.6300 -2.6300 -2.6298 -2.6298 0.4417 0.4417 0.4421 0.4421 2.1063 2.1063 2.1067 2.1067 2.8230 2.8230 2.8234 2.8234 3.2083 3.2083 3.2095 3.2096 4.2811 4.2812 4.2816 4.2816 7.3850 7.3850 7.3860 7.3860 9.2632 9.2632 9.2663 9.2663 9.6010 9.6010 9.6042 9.6042 17.0878 17.0878 17.0890 17.0890 17.5908 17.5908 17.5919 17.5919 19.2011 19.2015 k =-0.4762 0.2794 0.5482 ( 2380 PWs) bands (ev): -10.6542 -10.6541 -10.6541 -10.6541 -8.7391 -8.7391 -8.7391 -8.7391 -6.6563 -6.6563 -6.6563 -6.6563 -2.6233 -2.6233 -2.6232 -2.6232 0.4573 0.4573 0.4576 0.4576 2.0917 2.0917 2.0920 2.0920 2.8335 2.8335 2.8337 2.8337 3.2137 3.2137 3.2145 3.2145 4.2742 4.2742 4.2746 4.2746 7.3739 7.3739 7.3745 7.3745 9.3053 9.3053 9.3081 9.3081 9.5600 9.5600 9.5629 9.5629 17.1003 17.1003 17.1011 17.1011 17.5745 17.5745 17.5753 17.5753 19.2108 19.2109 k =-0.4881 0.2863 0.5482 ( 2384 PWs) bands (ev): -10.6485 -10.6485 -10.6484 -10.6484 -8.7482 -8.7482 -8.7482 -8.7482 -6.6579 -6.6579 -6.6579 -6.6579 -2.6193 -2.6193 -2.6192 -2.6192 0.4670 0.4670 0.4671 0.4671 2.0826 2.0826 2.0827 2.0827 2.8396 2.8397 2.8398 2.8398 3.2174 3.2174 3.2178 3.2178 4.2699 4.2700 4.2701 4.2701 7.3672 7.3672 7.3676 7.3676 9.3397 9.3397 9.3416 9.3416 9.5270 9.5270 9.5289 9.5289 17.1083 17.1084 17.1088 17.1088 17.5643 17.5644 17.5647 17.5648 19.2165 19.2168 k =-0.5000 0.2933 0.5482 ( 2380 PWs) bands (ev): -10.6465 -10.6465 -10.6465 -10.6465 -8.7512 -8.7512 -8.7512 -8.7512 -6.6584 -6.6584 -6.6584 -6.6584 -2.6180 -2.6180 -2.6179 -2.6179 0.4703 0.4703 0.4703 0.4703 2.0795 2.0795 2.0795 2.0795 2.8417 2.8417 2.8417 2.8417 3.2188 3.2188 3.2188 3.2188 4.2686 4.2686 4.2686 4.2686 7.3651 7.3651 7.3651 7.3651 9.3551 9.3551 9.3551 9.3551 9.5136 9.5136 9.5136 9.5136 17.1113 17.1113 17.1113 17.1113 17.5610 17.5610 17.5610 17.5610 19.2185 19.2185 Writing output data file HC2N3.save init_run : 0.44s CPU 0.30s WALL ( 1 calls) electrons : 356.89s CPU 248.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.16s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 356.88s CPU 248.64s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.33s CPU 0.42s WALL ( 450 calls) cegterg : 315.22s CPU 222.98s WALL ( 641 calls) Called by sum_band: Called by *egterg: h_psi : 179.44s CPU 117.21s WALL ( 10561 calls) s_psi : 8.94s CPU 5.48s WALL ( 10561 calls) g_psi : 0.30s CPU 0.21s WALL ( 9470 calls) cdiaghg : 132.64s CPU 101.01s WALL ( 9920 calls) cegterg:over : 12.29s CPU 8.07s WALL ( 9470 calls) cegterg:upda : 8.32s CPU 5.74s WALL ( 9470 calls) cegterg:last : 4.68s CPU 3.19s WALL ( 1541 calls) cdiaghg:chol : 6.80s CPU 5.40s WALL ( 9920 calls) cdiaghg:inve : 4.90s CPU 3.78s WALL ( 9920 calls) cdiaghg:para : 7.60s CPU 6.01s WALL ( 19840 calls) Called by h_psi: h_psi:vloc : 155.92s CPU 101.86s WALL ( 10561 calls) h_psi:vnl : 23.20s CPU 15.12s WALL ( 10561 calls) add_vuspsi : 11.20s CPU 6.96s WALL ( 10561 calls) General routines calbec : 11.94s CPU 8.13s WALL ( 10561 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 147.38s CPU 96.05s WALL ( 1193820 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.42s CPU 0.77s WALL ( 900 calls) Parallel routines fft_scatter : 65.44s CPU 44.27s WALL ( 1193843 calls) PWSCF : 6m15.31s CPU 4m47.42s WALL This run was terminated on: 4:12:48 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=