Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 7:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrPt5.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 86 32 9 3138 724 117 Max 87 33 10 3141 743 122 Sum 3103 1165 349 113041 26337 4303 bravais-lattice index = 14 lattice parameter (alat) = 10.1989 a.u. unit-cell volume = 742.8767 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.198851 celldm(2)= 1.000000 celldm(3)= 0.808597 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.808597 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.236709 ) PseudoPot. # 1 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pt 10.00 195.08400 Pt( 1.00) Sr 10.00 87.62000 Sr( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0033003 k( 8) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0033003 k( 9) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0033003 k( 15) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0033003 k( 16) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0033003 k( 17) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0033003 k( 22) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0033003 k( 23) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0033003 k( 24) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0033003 k( 25) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0033003 k( 26) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0033003 k( 29) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0033003 k( 30) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0033003 k( 31) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0033003 k( 32) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0033003 k( 33) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0033003 k( 34) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0033003 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0033003 k( 43) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0033003 k( 44) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033003 k( 49) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0033003 k( 50) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0033003 k( 51) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033003 k( 52) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033003 k( 53) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0033003 k( 54) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0033003 k( 55) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0033003 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 58) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0033003 k( 61) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0033003 k( 62) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0033003 k( 63) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0033003 k( 64) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0033003 k( 65) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0033003 k( 66) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0033003 k( 67) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0033003 k( 68) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0033003 k( 69) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0033003 k( 70) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033003 k( 71) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0033003 k( 72) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0033003 k( 73) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0033003 k( 74) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0033003 k( 75) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0033003 k( 76) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0033003 k( 77) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0033003 k( 78) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0033003 k( 79) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0033003 k( 80) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0033003 k( 81) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0033003 k( 82) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0033003 k( 83) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033003 k( 84) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0033003 k( 85) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0033003 k( 86) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0033003 k( 87) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0033003 k( 88) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0033003 k( 89) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0033003 k( 90) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0033003 k( 91) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0033003 k( 92) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0033003 k( 93) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0033003 k( 94) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0033003 k( 95) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0033003 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 98) = ( 0.0000000 0.0000000 0.0171765), wk = 0.0033003 k( 99) = ( 0.0000000 0.0000000 0.0343530), wk = 0.0033003 k( 100) = ( 0.0000000 0.0000000 0.0515296), wk = 0.0033003 k( 101) = ( 0.0000000 0.0000000 0.0687061), wk = 0.0033003 k( 102) = ( 0.0000000 0.0000000 0.0858826), wk = 0.0033003 k( 103) = ( 0.0000000 0.0000000 0.1030591), wk = 0.0033003 k( 104) = ( 0.0000000 0.0000000 0.1202356), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.1374122), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.1545887), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.1717652), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.1889417), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.2061182), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.2232948), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.2404713), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.2576478), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.2748243), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.2920008), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.3091774), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.3263539), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.3435304), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.3607069), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.3778834), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.3950600), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.4122365), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.4294130), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.4465895), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.4637660), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.4809426), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.4981191), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.5152956), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.5324721), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.5496486), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.5668252), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.5840017), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.6011782), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.6183547), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.6183547), wk = 0.0033003 k( 135) = ( 0.0147059 0.0084904 0.6183547), wk = 0.0033003 k( 136) = ( 0.0294118 0.0169809 0.6183547), wk = 0.0033003 k( 137) = ( 0.0441177 0.0254713 0.6183547), wk = 0.0033003 k( 138) = ( 0.0588235 0.0339618 0.6183547), wk = 0.0033003 k( 139) = ( 0.0735294 0.0424522 0.6183547), wk = 0.0033003 k( 140) = ( 0.0882353 0.0509427 0.6183547), wk = 0.0033003 k( 141) = ( 0.1029412 0.0594331 0.6183547), wk = 0.0033003 k( 142) = ( 0.1176471 0.0679236 0.6183547), wk = 0.0033003 k( 143) = ( 0.1323529 0.0764140 0.6183547), wk = 0.0033003 k( 144) = ( 0.1470588 0.0849044 0.6183547), wk = 0.0033003 k( 145) = ( 0.1617647 0.0933949 0.6183547), wk = 0.0033003 k( 146) = ( 0.1764706 0.1018853 0.6183547), wk = 0.0033003 k( 147) = ( 0.1911765 0.1103758 0.6183547), wk = 0.0033003 k( 148) = ( 0.2058823 0.1188662 0.6183547), wk = 0.0033003 k( 149) = ( 0.2205882 0.1273567 0.6183547), wk = 0.0033003 k( 150) = ( 0.2352941 0.1358471 0.6183547), wk = 0.0033003 k( 151) = ( 0.2500000 0.1443376 0.6183547), wk = 0.0033003 k( 152) = ( 0.2647059 0.1528280 0.6183547), wk = 0.0033003 k( 153) = ( 0.2794118 0.1613185 0.6183547), wk = 0.0033003 k( 154) = ( 0.2941177 0.1698089 0.6183547), wk = 0.0033003 k( 155) = ( 0.3088235 0.1782993 0.6183547), wk = 0.0033003 k( 156) = ( 0.3235294 0.1867898 0.6183547), wk = 0.0033003 k( 157) = ( 0.3382353 0.1952802 0.6183547), wk = 0.0033003 k( 158) = ( 0.3529412 0.2037707 0.6183547), wk = 0.0033003 k( 159) = ( 0.3676471 0.2122611 0.6183547), wk = 0.0033003 k( 160) = ( 0.3823529 0.2207516 0.6183547), wk = 0.0033003 k( 161) = ( 0.3970588 0.2292420 0.6183547), wk = 0.0033003 k( 162) = ( 0.4117647 0.2377325 0.6183547), wk = 0.0033003 k( 163) = ( 0.4264706 0.2462229 0.6183547), wk = 0.0033003 k( 164) = ( 0.4411765 0.2547134 0.6183547), wk = 0.0033003 k( 165) = ( 0.4558823 0.2632038 0.6183547), wk = 0.0033003 k( 166) = ( 0.4705882 0.2716942 0.6183547), wk = 0.0033003 k( 167) = ( 0.4852941 0.2801847 0.6183547), wk = 0.0033003 k( 168) = ( 0.5000000 0.2886751 0.6183547), wk = 0.0033003 k( 169) = ( 0.5000000 0.2886751 0.6183547), wk = 0.0033003 k( 170) = ( 0.4916667 0.3031089 0.6183547), wk = 0.0033003 k( 171) = ( 0.4833333 0.3175426 0.6183547), wk = 0.0033003 k( 172) = ( 0.4750000 0.3319764 0.6183547), wk = 0.0033003 k( 173) = ( 0.4666667 0.3464102 0.6183547), wk = 0.0033003 k( 174) = ( 0.4583333 0.3608439 0.6183547), wk = 0.0033003 k( 175) = ( 0.4500000 0.3752777 0.6183547), wk = 0.0033003 k( 176) = ( 0.4416667 0.3897114 0.6183547), wk = 0.0033003 k( 177) = ( 0.4333333 0.4041452 0.6183547), wk = 0.0033003 k( 178) = ( 0.4250000 0.4185789 0.6183547), wk = 0.0033003 k( 179) = ( 0.4166667 0.4330127 0.6183547), wk = 0.0033003 k( 180) = ( 0.4083333 0.4474465 0.6183547), wk = 0.0033003 k( 181) = ( 0.4000000 0.4618802 0.6183547), wk = 0.0033003 k( 182) = ( 0.3916667 0.4763140 0.6183547), wk = 0.0033003 k( 183) = ( 0.3833333 0.4907477 0.6183547), wk = 0.0033003 k( 184) = ( 0.3750000 0.5051815 0.6183547), wk = 0.0033003 k( 185) = ( 0.3666667 0.5196152 0.6183547), wk = 0.0033003 k( 186) = ( 0.3583333 0.5340490 0.6183547), wk = 0.0033003 k( 187) = ( 0.3500000 0.5484828 0.6183547), wk = 0.0033003 k( 188) = ( 0.3416667 0.5629165 0.6183547), wk = 0.0033003 k( 189) = ( 0.3333333 0.5773503 0.6183547), wk = 0.0033003 k( 190) = ( 0.3333333 0.5773503 0.6183547), wk = 0.0033003 k( 191) = ( 0.3247863 0.5625464 0.6183547), wk = 0.0033003 k( 192) = ( 0.3162393 0.5477426 0.6183547), wk = 0.0033003 k( 193) = ( 0.3076923 0.5329387 0.6183547), wk = 0.0033003 k( 194) = ( 0.2991453 0.5181349 0.6183547), wk = 0.0033003 k( 195) = ( 0.2905983 0.5033310 0.6183547), wk = 0.0033003 k( 196) = ( 0.2820513 0.4885271 0.6183547), wk = 0.0033003 k( 197) = ( 0.2735043 0.4737233 0.6183547), wk = 0.0033003 k( 198) = ( 0.2649573 0.4589194 0.6183547), wk = 0.0033003 k( 199) = ( 0.2564103 0.4441156 0.6183547), wk = 0.0033003 k( 200) = ( 0.2478633 0.4293117 0.6183547), wk = 0.0033003 k( 201) = ( 0.2393162 0.4145079 0.6183547), wk = 0.0033003 k( 202) = ( 0.2307692 0.3997040 0.6183547), wk = 0.0033003 k( 203) = ( 0.2222222 0.3849002 0.6183547), wk = 0.0033003 k( 204) = ( 0.2136752 0.3700963 0.6183547), wk = 0.0033003 k( 205) = ( 0.2051282 0.3552925 0.6183547), wk = 0.0033003 k( 206) = ( 0.1965812 0.3404886 0.6183547), wk = 0.0033003 k( 207) = ( 0.1880342 0.3256848 0.6183547), wk = 0.0033003 k( 208) = ( 0.1794872 0.3108809 0.6183547), wk = 0.0033003 k( 209) = ( 0.1709402 0.2960771 0.6183547), wk = 0.0033003 k( 210) = ( 0.1623932 0.2812732 0.6183547), wk = 0.0033003 k( 211) = ( 0.1538461 0.2664693 0.6183547), wk = 0.0033003 k( 212) = ( 0.1452991 0.2516655 0.6183547), wk = 0.0033003 k( 213) = ( 0.1367521 0.2368617 0.6183547), wk = 0.0033003 k( 214) = ( 0.1282051 0.2220578 0.6183547), wk = 0.0033003 k( 215) = ( 0.1196581 0.2072539 0.6183547), wk = 0.0033003 k( 216) = ( 0.1111111 0.1924501 0.6183547), wk = 0.0033003 k( 217) = ( 0.1025641 0.1776462 0.6183547), wk = 0.0033003 k( 218) = ( 0.0940171 0.1628424 0.6183547), wk = 0.0033003 k( 219) = ( 0.0854701 0.1480385 0.6183547), wk = 0.0033003 k( 220) = ( 0.0769231 0.1332347 0.6183547), wk = 0.0033003 k( 221) = ( 0.0683761 0.1184308 0.6183547), wk = 0.0033003 k( 222) = ( 0.0598291 0.1036270 0.6183547), wk = 0.0033003 k( 223) = ( 0.0512821 0.0888231 0.6183547), wk = 0.0033003 k( 224) = ( 0.0427350 0.0740193 0.6183547), wk = 0.0033003 k( 225) = ( 0.0341880 0.0592154 0.6183547), wk = 0.0033003 k( 226) = ( 0.0256410 0.0444116 0.6183547), wk = 0.0033003 k( 227) = ( 0.0170940 0.0296077 0.6183547), wk = 0.0033003 k( 228) = ( 0.0085470 0.0148039 0.6183547), wk = 0.0033003 k( 229) = ( 0.0000000 0.0000000 0.6183547), wk = 0.0033003 k( 230) = ( 0.5000000 0.2886751 0.6183547), wk = 0.0033003 k( 231) = ( 0.5000000 0.2886751 0.6011782), wk = 0.0033003 k( 232) = ( 0.5000000 0.2886751 0.5840017), wk = 0.0033003 k( 233) = ( 0.5000000 0.2886751 0.5668252), wk = 0.0033003 k( 234) = ( 0.5000000 0.2886751 0.5496486), wk = 0.0033003 k( 235) = ( 0.5000000 0.2886751 0.5324721), wk = 0.0033003 k( 236) = ( 0.5000000 0.2886751 0.5152956), wk = 0.0033003 k( 237) = ( 0.5000000 0.2886751 0.4981191), wk = 0.0033003 k( 238) = ( 0.5000000 0.2886751 0.4809426), wk = 0.0033003 k( 239) = ( 0.5000000 0.2886751 0.4637660), wk = 0.0033003 k( 240) = ( 0.5000000 0.2886751 0.4465895), wk = 0.0033003 k( 241) = ( 0.5000000 0.2886751 0.4294130), wk = 0.0033003 k( 242) = ( 0.5000000 0.2886751 0.4122365), wk = 0.0033003 k( 243) = ( 0.5000000 0.2886751 0.3950600), wk = 0.0033003 k( 244) = ( 0.5000000 0.2886751 0.3778834), wk = 0.0033003 k( 245) = ( 0.5000000 0.2886751 0.3607069), wk = 0.0033003 k( 246) = ( 0.5000000 0.2886751 0.3435304), wk = 0.0033003 k( 247) = ( 0.5000000 0.2886751 0.3263539), wk = 0.0033003 k( 248) = ( 0.5000000 0.2886751 0.3091774), wk = 0.0033003 k( 249) = ( 0.5000000 0.2886751 0.2920008), wk = 0.0033003 k( 250) = ( 0.5000000 0.2886751 0.2748243), wk = 0.0033003 k( 251) = ( 0.5000000 0.2886751 0.2576478), wk = 0.0033003 k( 252) = ( 0.5000000 0.2886751 0.2404713), wk = 0.0033003 k( 253) = ( 0.5000000 0.2886751 0.2232948), wk = 0.0033003 k( 254) = ( 0.5000000 0.2886751 0.2061182), wk = 0.0033003 k( 255) = ( 0.5000000 0.2886751 0.1889417), wk = 0.0033003 k( 256) = ( 0.5000000 0.2886751 0.1717652), wk = 0.0033003 k( 257) = ( 0.5000000 0.2886751 0.1545887), wk = 0.0033003 k( 258) = ( 0.5000000 0.2886751 0.1374122), wk = 0.0033003 k( 259) = ( 0.5000000 0.2886751 0.1202356), wk = 0.0033003 k( 260) = ( 0.5000000 0.2886751 0.1030591), wk = 0.0033003 k( 261) = ( 0.5000000 0.2886751 0.0858826), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.0687061), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.0515296), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.0343530), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.0171765), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 268) = ( 0.3333333 0.5773503 0.0171765), wk = 0.0033003 k( 269) = ( 0.3333333 0.5773503 0.0343530), wk = 0.0033003 k( 270) = ( 0.3333333 0.5773503 0.0515296), wk = 0.0033003 k( 271) = ( 0.3333333 0.5773503 0.0687061), wk = 0.0033003 k( 272) = ( 0.3333333 0.5773503 0.0858826), wk = 0.0033003 k( 273) = ( 0.3333333 0.5773503 0.1030591), wk = 0.0033003 k( 274) = ( 0.3333333 0.5773503 0.1202356), wk = 0.0033003 k( 275) = ( 0.3333333 0.5773503 0.1374122), wk = 0.0033003 k( 276) = ( 0.3333333 0.5773503 0.1545887), wk = 0.0033003 k( 277) = ( 0.3333333 0.5773503 0.1717652), wk = 0.0033003 k( 278) = ( 0.3333333 0.5773503 0.1889417), wk = 0.0033003 k( 279) = ( 0.3333333 0.5773503 0.2061182), wk = 0.0033003 k( 280) = ( 0.3333333 0.5773503 0.2232948), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 0.2404713), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.2576478), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.2748243), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.2920008), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.3091774), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.3263539), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.3435304), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.3607069), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.3778834), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.3950600), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.4122365), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.4294130), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.4465895), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.4637660), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.4809426), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.4981191), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.5152956), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.5324721), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.5496486), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.5668252), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.5840017), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.6011782), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.6183547), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0147059 0.0000000 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0441177 0.0000000 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0588235 0.0000000 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0735294 0.0000000 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0882353 0.0000000 -0.0000000), wk = 0.0033003 k( 8) = ( 0.1029412 0.0000000 -0.0000000), wk = 0.0033003 k( 9) = ( 0.1176471 0.0000000 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1323529 0.0000000 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1617647 0.0000000 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1764706 0.0000000 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1911765 0.0000000 -0.0000000), wk = 0.0033003 k( 15) = ( 0.2058823 0.0000000 -0.0000000), wk = 0.0033003 k( 16) = ( 0.2205882 0.0000000 -0.0000000), wk = 0.0033003 k( 17) = ( 0.2352941 0.0000000 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2647059 0.0000000 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2794118 0.0000000 0.0000000), wk = 0.0033003 k( 21) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0033003 k( 22) = ( 0.3088235 0.0000000 -0.0000000), wk = 0.0033003 k( 23) = ( 0.3235294 0.0000000 -0.0000000), wk = 0.0033003 k( 24) = ( 0.3382353 0.0000000 -0.0000000), wk = 0.0033003 k( 25) = ( 0.3529412 0.0000000 -0.0000000), wk = 0.0033003 k( 26) = ( 0.3676471 0.0000000 0.0000000), wk = 0.0033003 k( 27) = ( 0.3823529 0.0000000 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3970588 0.0000000 -0.0000000), wk = 0.0033003 k( 29) = ( 0.4117647 0.0000000 -0.0000000), wk = 0.0033003 k( 30) = ( 0.4264706 0.0000000 -0.0000000), wk = 0.0033003 k( 31) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0033003 k( 32) = ( 0.4558823 0.0000000 -0.0000000), wk = 0.0033003 k( 33) = ( 0.4705882 0.0000000 -0.0000000), wk = 0.0033003 k( 34) = ( 0.4852941 0.0000000 -0.0000000), wk = 0.0033003 k( 35) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 36) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0033003 k( 38) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0033003 k( 43) = ( 0.4416667 0.1166667 -0.0000000), wk = 0.0033003 k( 44) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0033003 k( 46) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0033003 k( 48) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0033003 k( 49) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0033003 k( 50) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0033003 k( 51) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033003 k( 52) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0033003 k( 53) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0033003 k( 54) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0033003 k( 55) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0033003 k( 56) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 58) = ( 0.3247863 0.3247863 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3162393 0.3162393 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0033003 k( 61) = ( 0.2991453 0.2991453 -0.0000000), wk = 0.0033003 k( 62) = ( 0.2905983 0.2905983 0.0000000), wk = 0.0033003 k( 63) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0033003 k( 64) = ( 0.2735043 0.2735043 -0.0000000), wk = 0.0033003 k( 65) = ( 0.2649573 0.2649573 -0.0000000), wk = 0.0033003 k( 66) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0033003 k( 67) = ( 0.2478633 0.2478633 0.0000000), wk = 0.0033003 k( 68) = ( 0.2393162 0.2393162 -0.0000000), wk = 0.0033003 k( 69) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0033003 k( 70) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033003 k( 71) = ( 0.2136752 0.2136752 0.0000000), wk = 0.0033003 k( 72) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0033003 k( 73) = ( 0.1965812 0.1965812 -0.0000000), wk = 0.0033003 k( 74) = ( 0.1880342 0.1880342 -0.0000000), wk = 0.0033003 k( 75) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0033003 k( 76) = ( 0.1709402 0.1709402 -0.0000000), wk = 0.0033003 k( 77) = ( 0.1623932 0.1623932 -0.0000000), wk = 0.0033003 k( 78) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0033003 k( 79) = ( 0.1452991 0.1452992 -0.0000000), wk = 0.0033003 k( 80) = ( 0.1367521 0.1367521 -0.0000000), wk = 0.0033003 k( 81) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0033003 k( 82) = ( 0.1196581 0.1196581 -0.0000000), wk = 0.0033003 k( 83) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033003 k( 84) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0033003 k( 85) = ( 0.0940171 0.0940171 -0.0000000), wk = 0.0033003 k( 86) = ( 0.0854701 0.0854701 -0.0000000), wk = 0.0033003 k( 87) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0033003 k( 88) = ( 0.0683761 0.0683761 -0.0000000), wk = 0.0033003 k( 89) = ( 0.0598291 0.0598291 -0.0000000), wk = 0.0033003 k( 90) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0033003 k( 91) = ( 0.0427350 0.0427350 0.0000000), wk = 0.0033003 k( 92) = ( 0.0341880 0.0341880 -0.0000000), wk = 0.0033003 k( 93) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0033003 k( 94) = ( 0.0170940 0.0170940 -0.0000000), wk = 0.0033003 k( 95) = ( 0.0085470 0.0085470 -0.0000000), wk = 0.0033003 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 98) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0033003 k( 99) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033003 k( 100) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0033003 k( 101) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033003 k( 102) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0033003 k( 103) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033003 k( 104) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 135) = ( 0.0147059 0.0000000 0.5000000), wk = 0.0033003 k( 136) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0033003 k( 137) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0033003 k( 138) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0033003 k( 139) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0033003 k( 140) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0033003 k( 141) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0033003 k( 142) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0033003 k( 143) = ( 0.1323529 0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033003 k( 152) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0033003 k( 153) = ( 0.2794118 0.0000000 0.5000000), wk = 0.0033003 k( 154) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0033003 k( 155) = ( 0.3088235 0.0000000 0.5000000), wk = 0.0033003 k( 156) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0033003 k( 157) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0033003 k( 158) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0033003 k( 159) = ( 0.3676471 0.0000000 0.5000000), wk = 0.0033003 k( 160) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0033003 k( 161) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0033003 k( 162) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0033003 k( 163) = ( 0.4264706 0.0000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.4852941 0.0000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0033003 k( 171) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0033003 k( 172) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0033003 k( 173) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033003 k( 174) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033003 k( 175) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0033003 k( 177) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033003 k( 178) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0033003 k( 179) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033003 k( 180) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0033003 k( 181) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033003 k( 182) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0033003 k( 183) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0033003 k( 184) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033003 k( 185) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033003 k( 186) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0033003 k( 187) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0033003 k( 188) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0033003 k( 189) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 190) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 191) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0033003 k( 192) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0033003 k( 193) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0033003 k( 194) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0033003 k( 195) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0033003 k( 196) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0033003 k( 197) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0033003 k( 198) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0033003 k( 199) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0033003 k( 200) = ( 0.2478633 0.2478633 0.5000000), wk = 0.0033003 k( 201) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0033003 k( 202) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0033003 k( 203) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033003 k( 204) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0033003 k( 205) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0033003 k( 206) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0033003 k( 207) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0033003 k( 208) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0033003 k( 209) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0033003 k( 210) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0033003 k( 211) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0033003 k( 212) = ( 0.1452991 0.1452992 0.5000000), wk = 0.0033003 k( 213) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0033003 k( 214) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0033003 k( 215) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0033003 k( 216) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033003 k( 217) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0033003 k( 218) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0033003 k( 219) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0033003 k( 220) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0033003 k( 221) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0033003 k( 222) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0033003 k( 223) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0033003 k( 224) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0033003 k( 225) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0033003 k( 226) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0033003 k( 227) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0033003 k( 228) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0033003 k( 229) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 230) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 231) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0033003 k( 232) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0033003 k( 233) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0033003 k( 234) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0033003 k( 235) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0033003 k( 236) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033003 k( 237) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0033003 k( 238) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0033003 k( 239) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033003 k( 240) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0033003 k( 241) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0033003 k( 242) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033003 k( 243) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0033003 k( 244) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0033003 k( 245) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0033003 k( 246) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0033003 k( 247) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0033003 k( 248) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033003 k( 249) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0033003 k( 250) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0033003 k( 251) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0033003 k( 252) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0033003 k( 253) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0033003 k( 254) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033003 k( 255) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0033003 k( 256) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0033003 k( 257) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033003 k( 258) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0033003 k( 259) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0033003 k( 260) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033003 k( 261) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0033003 k( 262) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0033003 k( 263) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0033003 k( 264) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0033003 k( 265) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0033003 k( 266) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 267) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 268) = ( 0.3333333 0.3333333 0.0138889), wk = 0.0033003 k( 269) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0033003 k( 270) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0033003 k( 271) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0033003 k( 272) = ( 0.3333333 0.3333333 0.0694444), wk = 0.0033003 k( 273) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033003 k( 274) = ( 0.3333333 0.3333333 0.0972222), wk = 0.0033003 k( 275) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0033003 k( 276) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033003 k( 277) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0033003 k( 278) = ( 0.3333333 0.3333333 0.1527778), wk = 0.0033003 k( 279) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033003 k( 280) = ( 0.3333333 0.3333333 0.1805556), wk = 0.0033003 k( 281) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0033003 k( 282) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0033003 k( 283) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0033003 k( 284) = ( 0.3333333 0.3333333 0.2361111), wk = 0.0033003 k( 285) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 286) = ( 0.3333333 0.3333333 0.2638889), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.3194444), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.3472222), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.4027778), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.4305556), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4861111), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 113041 G-vectors FFT dimensions: ( 72, 72, 60) Smooth grid: 26337 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 196, 72) NL pseudopotentials 0.31 Mb ( 98, 204) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3140) G-vector shells 0.01 Mb ( 1501) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 196, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.45 Mb ( 204, 2, 72) The potential is recalculated from file : ./SrPt5.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.5 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.3 secs Computing kpt #: 13 total cpu time spent up to now is 14.3 secs Computing kpt #: 14 total cpu time spent up to now is 15.2 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.1 secs Computing kpt #: 18 total cpu time spent up to now is 19.0 secs Computing kpt #: 19 total cpu time spent up to now is 19.9 secs Computing kpt #: 20 total cpu time spent up to now is 20.9 secs Computing kpt #: 21 total cpu time spent up to now is 21.9 secs Computing kpt #: 22 total cpu time spent up to now is 22.8 secs Computing kpt #: 23 total cpu time spent up to now is 23.8 secs Computing kpt #: 24 total cpu time spent up to now is 24.8 secs Computing kpt #: 25 total cpu time spent up to now is 25.7 secs Computing kpt #: 26 total cpu time spent up to now is 26.7 secs Computing kpt #: 27 total cpu time spent up to now is 27.7 secs Computing kpt #: 28 total cpu time spent up to now is 28.7 secs Computing kpt #: 29 total cpu time spent up to now is 29.6 secs Computing kpt #: 30 total cpu time spent up to now is 30.6 secs Computing kpt #: 31 total cpu time spent up to now is 31.6 secs Computing kpt #: 32 total cpu time spent up to now is 32.6 secs Computing kpt #: 33 total cpu time spent up to now is 33.5 secs Computing kpt #: 34 total cpu time spent up to now is 34.5 secs Computing kpt #: 35 total cpu time spent up to now is 35.4 secs Computing kpt #: 36 total cpu time spent up to now is 36.4 secs Computing kpt #: 37 total cpu time spent up to now is 37.4 secs Computing kpt #: 38 total cpu time spent up to now is 38.4 secs Computing kpt #: 39 total cpu time spent up to now is 39.4 secs Computing kpt #: 40 total cpu time spent up to now is 40.3 secs Computing kpt #: 41 total cpu time spent up to now is 41.3 secs Computing kpt #: 42 total cpu time spent up to now is 42.2 secs Computing kpt #: 43 total cpu time spent up to now is 43.2 secs Computing kpt #: 44 total cpu time spent up to now is 44.1 secs Computing kpt #: 45 total cpu time spent up to now is 45.1 secs Computing kpt #: 46 total cpu time spent up to now is 46.0 secs Computing kpt #: 47 total cpu time spent up to now is 47.0 secs Computing kpt #: 48 total cpu time spent up to now is 47.9 secs Computing kpt #: 49 total cpu time spent up to now is 48.8 secs Computing kpt #: 50 total cpu time spent up to now is 49.8 secs Computing kpt #: 51 total cpu time spent up to now is 50.7 secs Computing kpt #: 52 total cpu time spent up to now is 51.6 secs Computing kpt #: 53 total cpu time spent up to now is 52.6 secs Computing kpt #: 54 total cpu time spent up to now is 53.5 secs Computing kpt #: 55 total cpu time spent up to now is 54.5 secs Computing kpt #: 56 total cpu time spent up to now is 55.4 secs Computing kpt #: 57 total cpu time spent up to now is 56.4 secs Computing kpt #: 58 total cpu time spent up to now is 57.3 secs Computing kpt #: 59 total cpu time spent up to now is 58.3 secs Computing kpt #: 60 total cpu time spent up to now is 59.2 secs Computing kpt #: 61 total cpu time spent up to now is 60.2 secs Computing kpt #: 62 total cpu time spent up to now is 61.1 secs Computing kpt #: 63 total cpu time spent up to now is 62.0 secs Computing kpt #: 64 total cpu time spent up to now is 63.0 secs Computing kpt #: 65 total cpu time spent up to now is 63.9 secs Computing kpt #: 66 total cpu time spent up to now is 64.9 secs Computing kpt #: 67 total cpu time spent up to now is 65.9 secs Computing kpt #: 68 total cpu time spent up to now is 66.8 secs Computing kpt #: 69 total cpu time spent up to now is 67.8 secs Computing kpt #: 70 total cpu time spent up to now is 68.8 secs Computing kpt #: 71 total cpu time spent up to now is 69.7 secs Computing kpt #: 72 total cpu time spent up to now is 70.7 secs Computing kpt #: 73 total cpu time spent up to now is 71.7 secs Computing kpt #: 74 total cpu time spent up to now is 72.6 secs Computing kpt #: 75 total cpu time spent up to now is 73.6 secs Computing kpt #: 76 total cpu time spent up to now is 74.5 secs Computing kpt #: 77 total cpu time spent up to now is 75.5 secs Computing kpt #: 78 total cpu time spent up to now is 76.4 secs Computing kpt #: 79 total cpu time spent up to now is 77.5 secs Computing kpt #: 80 total cpu time spent up to now is 78.5 secs Computing kpt #: 81 total cpu time spent up to now is 79.6 secs Computing kpt #: 82 total cpu time spent up to now is 80.8 secs Computing kpt #: 83 total cpu time spent up to now is 81.9 secs Computing kpt #: 84 total cpu time spent up to now is 83.5 secs Computing kpt #: 85 total cpu time spent up to now is 84.5 secs Computing kpt #: 86 total cpu time spent up to now is 85.4 secs Computing kpt #: 87 total cpu time spent up to now is 86.4 secs Computing kpt #: 88 total cpu time spent up to now is 87.3 secs Computing kpt #: 89 total cpu time spent up to now is 88.3 secs Computing kpt #: 90 total cpu time spent up to now is 89.2 secs Computing kpt #: 91 total cpu time spent up to now is 90.2 secs Computing kpt #: 92 total cpu time spent up to now is 91.1 secs Computing kpt #: 93 total cpu time spent up to now is 92.0 secs Computing kpt #: 94 total cpu time spent up to now is 92.9 secs Computing kpt #: 95 total cpu time spent up to now is 93.7 secs Computing kpt #: 96 total cpu time spent up to now is 94.5 secs Computing kpt #: 97 total cpu time spent up to now is 95.3 secs Computing kpt #: 98 total cpu time spent up to now is 96.1 secs Computing kpt #: 99 total cpu time spent up to now is 97.0 secs Computing kpt #: 100 total cpu time spent up to now is 97.8 secs Computing kpt #: 101 total cpu time spent up to now is 98.7 secs Computing kpt #: 102 total cpu time spent up to now is 99.6 secs Computing kpt #: 103 total cpu time spent up to now is 100.4 secs Computing kpt #: 104 total cpu time spent up to now is 101.3 secs Computing kpt #: 105 total cpu time spent up to now is 102.2 secs Computing kpt #: 106 total cpu time spent up to now is 103.0 secs Computing kpt #: 107 total cpu time spent up to now is 103.8 secs Computing kpt #: 108 total cpu time spent up to now is 104.6 secs Computing kpt #: 109 total cpu time spent up to now is 105.4 secs Computing kpt #: 110 total cpu time spent up to now is 106.2 secs Computing kpt #: 111 total cpu time spent up to now is 107.0 secs Computing kpt #: 112 total cpu time spent up to now is 107.8 secs Computing kpt #: 113 total cpu time spent up to now is 108.6 secs Computing kpt #: 114 total cpu time spent up to now is 109.3 secs Computing kpt #: 115 total cpu time spent up to now is 110.1 secs Computing kpt #: 116 total cpu time spent up to now is 110.9 secs Computing kpt #: 117 total cpu time spent up to now is 111.7 secs Computing kpt #: 118 total cpu time spent up to now is 112.4 secs Computing kpt #: 119 total cpu time spent up to now is 113.2 secs Computing kpt #: 120 total cpu time spent up to now is 114.0 secs Computing kpt #: 121 total cpu time spent up to now is 114.7 secs Computing kpt #: 122 total cpu time spent up to now is 115.5 secs Computing kpt #: 123 total cpu time spent up to now is 116.2 secs Computing kpt #: 124 total cpu time spent up to now is 117.0 secs Computing kpt #: 125 total cpu time spent up to now is 117.7 secs Computing kpt #: 126 total cpu time spent up to now is 118.5 secs Computing kpt #: 127 total cpu time spent up to now is 119.2 secs Computing kpt #: 128 total cpu time spent up to now is 119.9 secs Computing kpt #: 129 total cpu time spent up to now is 120.6 secs Computing kpt #: 130 total cpu time spent up to now is 121.3 secs Computing kpt #: 131 total cpu time spent up to now is 122.0 secs Computing kpt #: 132 total cpu time spent up to now is 122.7 secs Computing kpt #: 133 total cpu time spent up to now is 123.4 secs Computing kpt #: 134 total cpu time spent up to now is 124.1 secs Computing kpt #: 135 total cpu time spent up to now is 124.8 secs Computing kpt #: 136 total cpu time spent up to now is 125.5 secs Computing kpt #: 137 total cpu time spent up to now is 126.2 secs Computing kpt #: 138 total cpu time spent up to now is 126.9 secs Computing kpt #: 139 total cpu time spent up to now is 127.7 secs Computing kpt #: 140 total cpu time spent up to now is 128.4 secs Computing kpt #: 141 total cpu time spent up to now is 129.1 secs Computing kpt #: 142 total cpu time spent up to now is 129.9 secs Computing kpt #: 143 total cpu time spent up to now is 130.7 secs Computing kpt #: 144 total cpu time spent up to now is 131.4 secs Computing kpt #: 145 total cpu time spent up to now is 132.2 secs Computing kpt #: 146 total cpu time spent up to now is 132.9 secs Computing kpt #: 147 total cpu time spent up to now is 133.7 secs Computing kpt #: 148 total cpu time spent up to now is 134.5 secs Computing kpt #: 149 total cpu time spent up to now is 135.2 secs Computing kpt #: 150 total cpu time spent up to now is 136.0 secs Computing kpt #: 151 total cpu time spent up to now is 136.8 secs Computing kpt #: 152 total cpu time spent up to now is 137.5 secs Computing kpt #: 153 total cpu time spent up to now is 138.3 secs Computing kpt #: 154 total cpu time spent up to now is 139.1 secs Computing kpt #: 155 total cpu time spent up to now is 139.8 secs Computing kpt #: 156 total cpu time spent up to now is 140.6 secs Computing kpt #: 157 total cpu time spent up to now is 141.4 secs Computing kpt #: 158 total cpu time spent up to now is 142.1 secs Computing kpt #: 159 total cpu time spent up to now is 142.9 secs Computing kpt #: 160 total cpu time spent up to now is 143.7 secs Computing kpt #: 161 total cpu time spent up to now is 144.5 secs Computing kpt #: 162 total cpu time spent up to now is 145.2 secs Computing kpt #: 163 total cpu time spent up to now is 146.0 secs Computing kpt #: 164 total cpu time spent up to now is 146.8 secs Computing kpt #: 165 total cpu time spent up to now is 147.5 secs Computing kpt #: 166 total cpu time spent up to now is 148.3 secs Computing kpt #: 167 total cpu time spent up to now is 149.1 secs Computing kpt #: 168 total cpu time spent up to now is 149.9 secs Computing kpt #: 169 total cpu time spent up to now is 150.6 secs Computing kpt #: 170 total cpu time spent up to now is 151.4 secs Computing kpt #: 171 total cpu time spent up to now is 152.2 secs Computing kpt #: 172 total cpu time spent up to now is 153.0 secs Computing kpt #: 173 total cpu time spent up to now is 153.8 secs Computing kpt #: 174 total cpu time spent up to now is 154.7 secs Computing kpt #: 175 total cpu time spent up to now is 155.6 secs Computing kpt #: 176 total cpu time spent up to now is 156.5 secs Computing kpt #: 177 total cpu time spent up to now is 157.4 secs Computing kpt #: 178 total cpu time spent up to now is 158.3 secs Computing kpt #: 179 total cpu time spent up to now is 159.2 secs Computing kpt #: 180 total cpu time spent up to now is 160.1 secs Computing kpt #: 181 total cpu time spent up to now is 161.1 secs Computing kpt #: 182 total cpu time spent up to now is 162.1 secs Computing kpt #: 183 total cpu time spent up to now is 163.1 secs Computing kpt #: 184 total cpu time spent up to now is 164.2 secs Computing kpt #: 185 total cpu time spent up to now is 165.4 secs Computing kpt #: 186 total cpu time spent up to now is 166.6 secs Computing kpt #: 187 total cpu time spent up to now is 167.9 secs Computing kpt #: 188 total cpu time spent up to now is 169.5 secs Computing kpt #: 189 total cpu time spent up to now is 170.9 secs Computing kpt #: 190 total cpu time spent up to now is 172.4 secs Computing kpt #: 191 total cpu time spent up to now is 173.9 secs Computing kpt #: 192 total cpu time spent up to now is 175.2 secs Computing kpt #: 193 total cpu time spent up to now is 176.5 secs Computing kpt #: 194 total cpu time spent up to now is 177.7 secs Computing kpt #: 195 total cpu time spent up to now is 178.7 secs Computing kpt #: 196 total cpu time spent up to now is 179.8 secs Computing kpt #: 197 total cpu time spent up to now is 180.8 secs Computing kpt #: 198 total cpu time spent up to now is 181.8 secs Computing kpt #: 199 total cpu time spent up to now is 182.8 secs Computing kpt #: 200 total cpu time spent up to now is 183.8 secs Computing kpt #: 201 total cpu time spent up to now is 184.7 secs Computing kpt #: 202 total cpu time spent up to now is 185.6 secs Computing kpt #: 203 total cpu time spent up to now is 186.5 secs Computing kpt #: 204 total cpu time spent up to now is 187.4 secs Computing kpt #: 205 total cpu time spent up to now is 188.3 secs Computing kpt #: 206 total cpu time spent up to now is 189.1 secs Computing kpt #: 207 total cpu time spent up to now is 189.9 secs Computing kpt #: 208 total cpu time spent up to now is 190.7 secs Computing kpt #: 209 total cpu time spent up to now is 191.5 secs Computing kpt #: 210 total cpu time spent up to now is 192.3 secs Computing kpt #: 211 total cpu time spent up to now is 193.0 secs Computing kpt #: 212 total cpu time spent up to now is 193.8 secs Computing kpt #: 213 total cpu time spent up to now is 194.6 secs Computing kpt #: 214 total cpu time spent up to now is 195.3 secs Computing kpt #: 215 total cpu time spent up to now is 196.1 secs Computing kpt #: 216 total cpu time spent up to now is 196.8 secs Computing kpt #: 217 total cpu time spent up to now is 197.6 secs Computing kpt #: 218 total cpu time spent up to now is 198.3 secs Computing kpt #: 219 total cpu time spent up to now is 199.0 secs Computing kpt #: 220 total cpu time spent up to now is 199.8 secs Computing kpt #: 221 total cpu time spent up to now is 200.5 secs Computing kpt #: 222 total cpu time spent up to now is 201.2 secs Computing kpt #: 223 total cpu time spent up to now is 202.0 secs Computing kpt #: 224 total cpu time spent up to now is 202.7 secs Computing kpt #: 225 total cpu time spent up to now is 203.4 secs Computing kpt #: 226 total cpu time spent up to now is 204.2 secs Computing kpt #: 227 total cpu time spent up to now is 204.9 secs Computing kpt #: 228 total cpu time spent up to now is 205.6 secs Computing kpt #: 229 total cpu time spent up to now is 206.3 secs Computing kpt #: 230 total cpu time spent up to now is 207.1 secs Computing kpt #: 231 total cpu time spent up to now is 207.9 secs Computing kpt #: 232 total cpu time spent up to now is 208.7 secs Computing kpt #: 233 total cpu time spent up to now is 209.6 secs Computing kpt #: 234 total cpu time spent up to now is 210.4 secs Computing kpt #: 235 total cpu time spent up to now is 211.2 secs Computing kpt #: 236 total cpu time spent up to now is 212.1 secs Computing kpt #: 237 total cpu time spent up to now is 213.0 secs Computing kpt #: 238 total cpu time spent up to now is 213.8 secs Computing kpt #: 239 total cpu time spent up to now is 214.7 secs Computing kpt #: 240 total cpu time spent up to now is 215.6 secs Computing kpt #: 241 total cpu time spent up to now is 216.5 secs Computing kpt #: 242 total cpu time spent up to now is 217.5 secs Computing kpt #: 243 total cpu time spent up to now is 218.4 secs Computing kpt #: 244 total cpu time spent up to now is 219.4 secs Computing kpt #: 245 total cpu time spent up to now is 220.4 secs Computing kpt #: 246 total cpu time spent up to now is 221.5 secs Computing kpt #: 247 total cpu time spent up to now is 222.6 secs Computing kpt #: 248 total cpu time spent up to now is 223.8 secs Computing kpt #: 249 total cpu time spent up to now is 225.2 secs Computing kpt #: 250 total cpu time spent up to now is 226.7 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.9 secs Computing kpt #: 252 total cpu time spent up to now is 230.7 secs Computing kpt #: 253 total cpu time spent up to now is 232.0 secs Computing kpt #: 254 total cpu time spent up to now is 233.4 secs Computing kpt #: 255 total cpu time spent up to now is 234.6 secs Computing kpt #: 256 total cpu time spent up to now is 235.7 secs Computing kpt #: 257 total cpu time spent up to now is 237.3 secs Computing kpt #: 258 total cpu time spent up to now is 238.5 secs Computing kpt #: 259 total cpu time spent up to now is 239.6 secs Computing kpt #: 260 total cpu time spent up to now is 240.7 secs Computing kpt #: 261 total cpu time spent up to now is 241.8 secs Computing kpt #: 262 total cpu time spent up to now is 242.8 secs Computing kpt #: 263 total cpu time spent up to now is 243.8 secs Computing kpt #: 264 total cpu time spent up to now is 244.8 secs Computing kpt #: 265 total cpu time spent up to now is 245.8 secs Computing kpt #: 266 total cpu time spent up to now is 246.7 secs Computing kpt #: 267 total cpu time spent up to now is 247.6 secs Computing kpt #: 268 total cpu time spent up to now is 248.6 secs Computing kpt #: 269 total cpu time spent up to now is 249.5 secs Computing kpt #: 270 total cpu time spent up to now is 250.5 secs Computing kpt #: 271 total cpu time spent up to now is 251.4 secs Computing kpt #: 272 total cpu time spent up to now is 252.4 secs Computing kpt #: 273 total cpu time spent up to now is 253.4 secs Computing kpt #: 274 total cpu time spent up to now is 254.4 secs Computing kpt #: 275 total cpu time spent up to now is 255.3 secs Computing kpt #: 276 total cpu time spent up to now is 256.3 secs Computing kpt #: 277 total cpu time spent up to now is 257.3 secs Computing kpt #: 278 total cpu time spent up to now is 258.3 secs Computing kpt #: 279 total cpu time spent up to now is 259.3 secs Computing kpt #: 280 total cpu time spent up to now is 260.5 secs Computing kpt #: 281 total cpu time spent up to now is 261.9 secs Computing kpt #: 282 total cpu time spent up to now is 262.9 secs Computing kpt #: 283 total cpu time spent up to now is 264.0 secs Computing kpt #: 284 total cpu time spent up to now is 265.3 secs Computing kpt #: 285 total cpu time spent up to now is 266.8 secs Computing kpt #: 286 total cpu time spent up to now is 268.3 secs Computing kpt #: 287 total cpu time spent up to now is 269.8 secs Computing kpt #: 288 total cpu time spent up to now is 271.5 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.7 secs Computing kpt #: 290 total cpu time spent up to now is 276.2 secs Computing kpt #: 291 total cpu time spent up to now is 278.3 secs Computing kpt #: 292 total cpu time spent up to now is 280.0 secs Computing kpt #: 293 total cpu time spent up to now is 281.7 secs Computing kpt #: 294 total cpu time spent up to now is 283.7 secs Computing kpt #: 295 total cpu time spent up to now is 285.5 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.6 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.8 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 291.9 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.1 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.3 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.5 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.7 secs Computing kpt #: 303 total cpu time spent up to now is 302.4 secs ethr = 1.67E-08, avg # of iterations = 31.1 total cpu time spent up to now is 302.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -19.7013 -19.7013 -2.6025 -2.6025 -1.5042 -1.5042 -1.4572 -1.4572 5.0915 5.0915 7.7069 7.7069 8.8730 8.8730 8.9081 8.9081 8.9702 8.9702 9.0276 9.0276 9.0602 9.0602 9.5423 9.5423 9.6744 9.6744 9.6920 9.6920 10.0193 10.0193 10.7021 10.7021 10.7992 10.7992 11.6311 11.6311 11.6706 11.6706 12.1835 12.1835 12.2519 12.2519 12.4617 12.4617 12.6690 12.6690 13.0617 13.0617 13.1989 13.1989 13.2582 13.2582 13.8676 13.8676 14.7347 14.7347 15.1845 15.1845 15.2703 15.2703 15.3910 15.3910 15.6167 15.6167 16.9390 16.9390 17.0975 17.0975 17.6630 17.6630 17.6875 17.6875 k = 0.0147 0.0085-0.0000 ( 3338 PWs) bands (ev): -19.7013 -19.7013 -2.6025 -2.6025 -1.5043 -1.5043 -1.4572 -1.4572 5.0934 5.0934 7.7085 7.7085 8.8736 8.8736 8.9086 8.9086 8.9707 8.9707 9.0282 9.0282 9.0610 9.0610 9.5407 9.5407 9.6752 9.6752 9.6901 9.6901 10.0197 10.0197 10.7015 10.7015 10.7985 10.7985 11.6279 11.6279 11.6744 11.6744 12.1833 12.1833 12.2515 12.2515 12.4621 12.4621 12.6690 12.6690 13.0610 13.0610 13.1984 13.1984 13.2576 13.2576 13.8670 13.8670 14.7279 14.7279 15.1686 15.1686 15.2647 15.2647 15.3779 15.3779 15.6438 15.6438 16.9121 16.9121 17.1313 17.1313 17.6081 17.6081 17.7415 17.7415 k = 0.0294 0.0170-0.0000 ( 3340 PWs) bands (ev): -19.7013 -19.7013 -2.6026 -2.6026 -1.5045 -1.5045 -1.4573 -1.4573 5.0991 5.0991 7.7133 7.7133 8.8753 8.8753 8.9102 8.9102 8.9724 8.9724 9.0299 9.0299 9.0636 9.0636 9.5359 9.5359 9.6778 9.6778 9.6847 9.6847 10.0208 10.0208 10.6997 10.6997 10.7964 10.7964 11.6207 11.6207 11.6837 11.6837 12.1826 12.1826 12.2502 12.2502 12.4635 12.4635 12.6689 12.6689 13.0588 13.0588 13.1969 13.1969 13.2559 13.2559 13.8655 13.8655 14.7071 14.7071 15.1274 15.1274 15.2457 15.2457 15.3510 15.3510 15.7093 15.7093 16.8617 16.8617 17.2004 17.2004 17.5440 17.5440 17.8049 17.8049 k = 0.0441 0.0255-0.0000 ( 3336 PWs) bands (ev): -19.7013 -19.7013 -2.6028 -2.6028 -1.5049 -1.5049 -1.4574 -1.4574 5.1085 5.1085 7.7213 7.7213 8.8779 8.8779 8.9129 8.9129 8.9752 8.9752 9.0317 9.0317 9.0688 9.0688 9.5276 9.5276 9.6764 9.6764 9.6823 9.6823 10.0223 10.0223 10.6963 10.6963 10.7931 10.7931 11.6122 11.6122 11.6956 11.6956 12.1815 12.1815 12.2482 12.2482 12.4657 12.4657 12.6687 12.6687 13.0552 13.0552 13.1944 13.1944 13.2531 13.2531 13.8629 13.8629 14.6718 14.6718 15.0727 15.0727 15.2115 15.2115 15.3223 15.3223 15.7932 15.7932 16.8101 16.8101 17.2715 17.2715 17.4914 17.4914 17.8684 17.8684 k = 0.0588 0.0340-0.0000 ( 3332 PWs) bands (ev): -19.7013 -19.7013 -2.6030 -2.6030 -1.5054 -1.5054 -1.4577 -1.4577 5.1217 5.1217 7.7324 7.7324 8.8811 8.8811 8.9170 8.9170 8.9793 8.9793 9.0329 9.0329 9.0775 9.0775 9.5154 9.5154 9.6668 9.6668 9.6882 9.6882 10.0236 10.0236 10.6911 10.6911 10.7891 10.7891 11.6036 11.6036 11.7088 11.7088 12.1799 12.1799 12.2454 12.2454 12.4688 12.4688 12.6683 12.6683 13.0502 13.0502 13.1908 13.1908 13.2493 13.2493 13.8593 13.8593 14.6220 14.6220 15.0128 15.0128 15.1629 15.1629 15.2946 15.2946 15.8859 15.8859 16.7617 16.7617 17.3006 17.3006 17.4892 17.4892 17.9328 17.9328 k = 0.0735 0.0425-0.0000 ( 3326 PWs) bands (ev): -19.7012 -19.7012 -2.6033 -2.6033 -1.5061 -1.5061 -1.4579 -1.4579 5.1386 5.1386 7.7467 7.7467 8.8844 8.8844 8.9225 8.9225 8.9846 8.9846 9.0326 9.0326 9.0900 9.0900 9.4990 9.4990 9.6569 9.6569 9.6959 9.6959 10.0244 10.0244 10.6835 10.6835 10.7846 10.7846 11.5954 11.5954 11.7230 11.7230 12.1776 12.1776 12.2422 12.2422 12.4727 12.4727 12.6678 12.6678 13.0438 13.0438 13.1861 13.1861 13.2445 13.2445 13.8547 13.8547 14.5591 14.5591 14.9508 14.9508 15.1022 15.1022 15.2682 15.2682 15.9832 15.9832 16.7161 16.7161 17.2638 17.2638 17.5605 17.5605 17.9990 17.9990 k = 0.0882 0.0509-0.0000 ( 3320 PWs) bands (ev): -19.7012 -19.7012 -2.6036 -2.6036 -1.5069 -1.5069 -1.4582 -1.4582 5.1592 5.1592 7.7639 7.7639 8.8873 8.8873 8.9298 8.9298 8.9910 8.9910 9.0311 9.0311 9.1063 9.1063 9.4787 9.4787 9.6475 9.6475 9.7053 9.7053 10.0243 10.0243 10.6731 10.6731 10.7801 10.7801 11.5876 11.5876 11.7379 11.7379 12.1746 12.1746 12.2385 12.2385 12.4773 12.4773 12.6672 12.6672 13.0362 13.0362 13.1803 13.1803 13.2388 13.2388 13.8491 13.8491 14.4853 14.4853 14.8863 14.8863 15.0323 15.0323 15.2437 15.2437 16.0827 16.0827 16.6717 16.6717 17.2054 17.2054 17.6610 17.6610 18.0673 18.0673 k = 0.1029 0.0594-0.0000 ( 3316 PWs) bands (ev): -19.7012 -19.7012 -2.6040 -2.6040 -1.5079 -1.5079 -1.4586 -1.4586 5.1833 5.1833 7.7841 7.7841 8.8894 8.8894 8.9386 8.9386 8.9980 8.9980 9.0288 9.0288 9.1263 9.1263 9.4552 9.4552 9.6391 9.6391 9.7162 9.7162 10.0228 10.0228 10.6598 10.6598 10.7758 10.7758 11.5803 11.5803 11.7533 11.7533 12.1708 12.1708 12.2348 12.2348 12.4825 12.4825 12.6662 12.6662 13.0273 13.0273 13.1733 13.1733 13.2324 13.2324 13.8426 13.8426 14.4037 14.4037 14.8174 14.8174 14.9561 14.9561 15.2218 15.2218 16.1828 16.1828 16.6261 16.6261 17.1464 17.1464 17.7705 17.7705 18.1377 18.1377 k = 0.1176 0.0679-0.0000 ( 3320 PWs) bands (ev): -19.7011 -19.7011 -2.6045 -2.6045 -1.5090 -1.5090 -1.4589 -1.4589 5.2110 5.2110 7.8071 7.8071 8.8904 8.8904 8.9487 8.9487 9.0030 9.0030 9.0282 9.0282 9.1496 9.1496 9.4299 9.4299 9.6319 9.6319 9.7286 9.7286 10.0199 10.0199 10.6434 10.6434 10.7716 10.7716 11.5736 11.5736 11.7691 11.7691 12.1658 12.1658 12.2313 12.2313 12.4883 12.4883 12.6650 12.6650 13.0173 13.0173 13.1650 13.1650 13.2254 13.2254 13.8351 13.8351 14.3168 14.3168 14.7422 14.7422 14.8761 14.8761 15.2029 15.2029 16.2824 16.2824 16.5773 16.5773 17.0934 17.0934 17.8828 17.8828 18.2098 18.2098 k = 0.1324 0.0764-0.0000 ( 3310 PWs) bands (ev): -19.7011 -19.7011 -2.6050 -2.6050 -1.5102 -1.5102 -1.4593 -1.4593 5.2421 5.2421 7.8328 7.8328 8.8899 8.8899 8.9591 8.9591 9.0020 9.0020 9.0340 9.0340 9.1759 9.1759 9.4042 9.4042 9.6257 9.6257 9.7424 9.7424 10.0154 10.0154 10.6242 10.6242 10.7674 10.7674 11.5672 11.5672 11.7852 11.7852 12.1596 12.1596 12.2282 12.2282 12.4944 12.4944 12.6634 12.6634 13.0063 13.0063 13.1553 13.1553 13.2180 13.2180 13.8267 13.8267 14.2268 14.2268 14.6599 14.6599 14.7946 14.7946 15.1871 15.1871 16.3803 16.3803 16.5238 16.5238 17.0497 17.0497 17.9947 17.9947 18.2826 18.2826 k = 0.1471 0.0849-0.0000 ( 3310 PWs) bands (ev): -19.7010 -19.7010 -2.6055 -2.6055 -1.5115 -1.5115 -1.4597 -1.4597 5.2767 5.2767 7.8611 7.8611 8.8872 8.8872 8.9660 8.9660 8.9986 8.9986 9.0459 9.0459 9.2047 9.2047 9.3802 9.3802 9.6203 9.6203 9.7574 9.7574 10.0095 10.0095 10.6023 10.6023 10.7630 10.7630 11.5611 11.5611 11.8015 11.8015 12.1519 12.1519 12.2257 12.2257 12.5009 12.5009 12.6614 12.6614 12.9943 12.9943 13.1442 13.1442 13.2102 13.2102 13.8175 13.8175 14.1351 14.1351 14.5706 14.5706 14.7131 14.7131 15.1739 15.1739 16.4609 16.4609 16.4793 16.4793 17.0173 17.0173 18.1041 18.1041 18.3551 18.3551 k = 0.1618 0.0934-0.0000 ( 3312 PWs) bands (ev): -19.7010 -19.7010 -2.6061 -2.6061 -1.5129 -1.5129 -1.4602 -1.4602 5.3144 5.3144 7.8918 7.8918 8.8808 8.8808 8.9622 8.9622 9.0035 9.0035 9.0610 9.0610 9.2349 9.2349 9.3604 9.3604 9.6155 9.6155 9.7732 9.7732 10.0024 10.0024 10.5782 10.5782 10.7582 10.7582 11.5551 11.5551 11.8179 11.8179 12.1428 12.1428 12.2240 12.2240 12.5075 12.5075 12.6590 12.6590 12.9815 12.9815 13.1315 13.1315 13.2023 13.2023 13.8073 13.8073 14.0430 14.0430 14.4757 14.4757 14.6321 14.6321 15.1631 15.1631 16.4002 16.4002 16.5663 16.5663 16.9974 16.9974 18.2092 18.2092 18.4259 18.4259 k = 0.1765 0.1019-0.0000 ( 3318 PWs) bands (ev): -19.7009 -19.7009 -2.6067 -2.6067 -1.5144 -1.5144 -1.4606 -1.4606 5.3554 5.3554 7.9248 7.9248 8.8679 8.8679 8.9511 8.9511 9.0163 9.0163 9.0784 9.0784 9.2631 9.2631 9.3490 9.3490 9.6113 9.6113 9.7894 9.7894 9.9946 9.9946 10.5521 10.5521 10.7527 10.7527 11.5491 11.5491 11.8343 11.8343 12.1324 12.1324 12.2231 12.2231 12.5140 12.5140 12.6561 12.6561 12.9680 12.9680 13.1172 13.1172 13.1944 13.1944 13.7962 13.7962 13.9513 13.9513 14.3770 14.3770 14.5518 14.5518 15.1542 15.1542 16.3328 16.3328 16.6482 16.6482 16.9919 16.9919 18.3088 18.3088 18.4934 18.4934 k = 0.1912 0.1104-0.0000 ( 3318 PWs) bands (ev): -19.7008 -19.7008 -2.6073 -2.6073 -1.5160 -1.5160 -1.4611 -1.4611 5.3993 5.3993 7.9597 7.9597 8.8456 8.8456 8.9406 8.9406 9.0321 9.0321 9.0977 9.0977 9.2808 9.2808 9.3551 9.3551 9.6076 9.6076 9.8051 9.8051 9.9869 9.9869 10.5243 10.5243 10.7464 10.7464 11.5427 11.5427 11.8505 11.8505 12.1208 12.1208 12.2228 12.2228 12.5203 12.5203 12.6526 12.6526 12.9539 12.9539 13.1011 13.1011 13.1864 13.1864 13.7841 13.7841 13.8607 13.8607 14.2766 14.2766 14.4723 14.4723 15.1468 15.1468 16.2633 16.2633 16.7169 16.7169 17.0043 17.0043 18.4021 18.4021 18.5564 18.5564 k = 0.2059 0.1189-0.0000 ( 3314 PWs) bands (ev): -19.7008 -19.7008 -2.6080 -2.6080 -1.5176 -1.5176 -1.4615 -1.4615 5.4461 5.4461 7.9964 7.9964 8.8130 8.8130 8.9335 8.9335 9.0494 9.0494 9.1185 9.1185 9.2841 9.2841 9.3824 9.3824 9.6045 9.6045 9.8191 9.8191 9.9808 9.9808 10.4952 10.4952 10.7392 10.7392 11.5357 11.5357 11.8661 11.8661 12.1086 12.1086 12.2230 12.2230 12.5262 12.5262 12.6486 12.6486 12.9392 12.9392 13.0834 13.0834 13.1786 13.1786 13.7702 13.7702 13.7726 13.7726 14.1760 14.1760 14.3939 14.3939 15.1407 15.1407 16.1930 16.1930 16.7668 16.7668 17.0385 17.0385 18.4889 18.4889 18.6140 18.6140 k = 0.2206 0.1274-0.0000 ( 3310 PWs) bands (ev): -19.7007 -19.7007 -2.6087 -2.6087 -1.5193 -1.5193 -1.4619 -1.4619 5.4957 5.4957 8.0345 8.0345 8.7720 8.7720 8.9293 8.9293 9.0675 9.0675 9.1406 9.1406 9.2826 9.2826 9.4206 9.4206 9.6022 9.6022 9.8294 9.8294 9.9783 9.9783 10.4650 10.4650 10.7310 10.7310 11.5279 11.5279 11.8807 11.8807 12.0961 12.0961 12.2236 12.2236 12.5315 12.5315 12.6439 12.6439 12.9240 12.9240 13.0639 13.0639 13.1709 13.1709 13.6853 13.6853 13.7564 13.7564 14.0771 14.0771 14.3170 14.3170 15.1356 15.1356 16.1231 16.1231 16.7980 16.7980 17.0931 17.0931 18.5686 18.5686 18.6663 18.6663 k = 0.2353 0.1358-0.0000 ( 3304 PWs) bands (ev): -19.7006 -19.7006 -2.6094 -2.6094 -1.5210 -1.5210 -1.4624 -1.4624 5.5478 5.5478 8.0736 8.0736 8.7248 8.7248 8.9268 8.9268 9.0860 9.0860 9.1637 9.1637 9.2819 9.2819 9.4628 9.4628 9.6013 9.6013 9.8341 9.8341 9.9817 9.9817 10.4340 10.4340 10.7219 10.7219 11.5189 11.5189 11.8933 11.8933 12.0844 12.0844 12.2241 12.2241 12.5360 12.5360 12.6385 12.6385 12.9082 12.9082 13.0425 13.0425 13.1633 13.1633 13.6017 13.6017 13.7396 13.7396 13.9817 13.9817 14.2421 14.2421 15.1314 15.1314 16.0547 16.0547 16.8163 16.8163 17.1611 17.1611 18.6396 18.6396 18.7149 18.7149 k = 0.2500 0.1443-0.0000 ( 3302 PWs) bands (ev): -19.7006 -19.7006 -2.6100 -2.6100 -1.5227 -1.5227 -1.4628 -1.4628 5.6022 5.6022 8.1131 8.1131 8.6736 8.6736 8.9253 8.9253 9.1045 9.1045 9.1873 9.1873 9.2840 9.2840 9.5046 9.5046 9.6034 9.6034 9.8326 9.8326 9.9921 9.9921 10.4026 10.4026 10.7119 10.7119 11.5085 11.5085 11.9028 11.9028 12.0748 12.0748 12.2242 12.2242 12.5397 12.5397 12.6323 12.6323 12.8917 12.8917 13.0193 13.0193 13.1560 13.1560 13.5216 13.5216 13.7191 13.7191 13.8929 13.8929 14.1698 14.1698 15.1278 15.1278 15.9884 15.9884 16.8279 16.8279 17.2353 17.2353 18.6985 18.6985 18.7639 18.7639 k = 0.2647 0.1528-0.0000 ( 3310 PWs) bands (ev): -19.7005 -19.7005 -2.6107 -2.6107 -1.5244 -1.5244 -1.4632 -1.4632 5.6588 5.6588 8.1520 8.1520 8.6202 8.6202 8.9244 8.9244 9.1225 9.1225 9.2109 9.2109 9.2897 9.2897 9.5393 9.5393 9.6136 9.6136 9.8267 9.8267 10.0088 10.0088 10.3712 10.3712 10.7009 10.7009 11.4964 11.4964 11.9074 11.9074 12.0689 12.0689 12.2236 12.2236 12.5424 12.5424 12.6250 12.6250 12.8744 12.8744 12.9944 12.9944 13.1489 13.1489 13.4457 13.4457 13.6906 13.6906 13.8158 13.8158 14.1008 14.1008 15.1247 15.1247 15.9248 15.9248 16.8363 16.8363 17.3115 17.3115 18.7418 18.7418 18.8173 18.8173 k = 0.2794 0.1613-0.0000 ( 3306 PWs) bands (ev): -19.7004 -19.7004 -2.6114 -2.6114 -1.5261 -1.5261 -1.4635 -1.4635 5.7173 5.7173 8.1887 8.1887 8.5669 8.5669 8.9240 8.9240 9.1394 9.1394 9.2338 9.2338 9.2999 9.2999 9.5579 9.5579 9.6380 9.6380 9.8201 9.8201 10.0300 10.0300 10.3403 10.3403 10.6890 10.6890 11.4824 11.4824 11.9055 11.9055 12.0683 12.0683 12.2217 12.2217 12.5441 12.5441 12.6165 12.6165 12.8560 12.8560 12.9677 12.9677 13.1418 13.1418 13.3752 13.3752 13.6470 13.6470 13.7584 13.7584 14.0358 14.0358 15.1221 15.1221 15.8642 15.8642 16.8434 16.8434 17.3871 17.3871 18.7721 18.7721 18.8732 18.8732 k = 0.2941 0.1698-0.0000 ( 3310 PWs) bands (ev): -19.7003 -19.7003 -2.6120 -2.6120 -1.5278 -1.5278 -1.4639 -1.4639 5.7773 5.7773 8.2200 8.2200 8.5175 8.5175 8.9237 8.9237 9.1543 9.1543 9.2558 9.2558 9.3149 9.3149 9.5636 9.5636 9.6682 9.6682 9.8188 9.8188 10.0542 10.0542 10.3106 10.3106 10.6764 10.6764 11.4664 11.4664 11.8963 11.8963 12.0738 12.0738 12.2180 12.2180 12.5451 12.5451 12.6064 12.6064 12.8361 12.8361 12.9396 12.9396 13.1342 13.1342 13.3113 13.3113 13.5889 13.5889 13.7208 13.7208 13.9755 13.9755 15.1199 15.1199 15.8070 15.8070 16.8499 16.8499 17.4608 17.4608 18.7939 18.7939 18.9279 18.9279 k = 0.3088 0.1783-0.0000 ( 3302 PWs) bands (ev): -19.7003 -19.7003 -2.6127 -2.6127 -1.5294 -1.5294 -1.4643 -1.4643 5.8386 5.8386 8.2392 8.2392 8.4790 8.4790 8.9237 8.9237 9.1666 9.1666 9.2770 9.2770 9.3346 9.3346 9.5642 9.5642 9.6882 9.6882 9.8313 9.8313 10.0800 10.0800 10.2835 10.2835 10.6631 10.6631 11.4483 11.4483 11.8805 11.8805 12.0843 12.0843 12.2120 12.2120 12.5457 12.5457 12.5945 12.5945 12.8144 12.8144 12.9104 12.9104 13.1248 13.1248 13.2564 13.2564 13.5273 13.5273 13.6924 13.6924 13.9210 13.9210 15.1181 15.1181 15.7533 15.7533 16.8562 16.8562 17.5317 17.5317 18.8095 18.8095 18.9797 18.9797 k = 0.3235 0.1868-0.0000 ( 3302 PWs) bands (ev): -19.7002 -19.7002 -2.6133 -2.6133 -1.5310 -1.5310 -1.4646 -1.4646 5.9008 5.9008 8.2359 8.2359 8.4619 8.4619 8.9238 8.9238 9.1761 9.1761 9.2987 9.2987 9.3577 9.3577 9.5629 9.5629 9.6915 9.6915 9.8598 9.8598 10.1064 10.1064 10.2609 10.2609 10.6494 10.6494 11.4280 11.4280 11.8590 11.8590 12.0986 12.0986 12.2033 12.2033 12.5459 12.5459 12.5805 12.5805 12.7906 12.7906 12.8810 12.8810 13.1105 13.1105 13.2141 13.2141 13.4693 13.4693 13.6659 13.6659 13.8730 13.8730 15.1165 15.1165 15.7034 15.7034 16.8624 16.8624 17.5991 17.5991 18.8204 18.8204 19.0279 19.0279 k = 0.3382 0.1953-0.0000 ( 3298 PWs) bands (ev): -19.7001 -19.7001 -2.6139 -2.6139 -1.5325 -1.5325 -1.4649 -1.4649 5.9634 5.9634 8.2065 8.2065 8.4701 8.4701 8.9241 8.9241 9.1827 9.1827 9.3214 9.3214 9.3828 9.3828 9.5607 9.5607 9.6837 9.6837 9.8952 9.8952 10.1324 10.1324 10.2463 10.2463 10.6354 10.6354 11.4056 11.4056 11.8329 11.8329 12.1153 12.1153 12.1916 12.1916 12.5461 12.5461 12.5644 12.5644 12.7646 12.7646 12.8523 12.8523 13.0883 13.0883 13.1883 13.1883 13.4176 13.4176 13.6384 13.6384 13.8323 13.8323 15.1153 15.1153 15.6572 15.6572 16.8684 16.8684 17.6626 17.6626 18.8274 18.8274 19.0723 19.0723 k = 0.3529 0.2038-0.0000 ( 3300 PWs) bands (ev): -19.7001 -19.7001 -2.6144 -2.6144 -1.5339 -1.5339 -1.4651 -1.4651 6.0260 6.0260 8.1601 8.1601 8.4948 8.4948 8.9244 8.9244 9.1867 9.1867 9.3456 9.3456 9.4086 9.4086 9.5580 9.5580 9.6714 9.6714 9.9261 9.9261 10.1567 10.1567 10.2449 10.2449 10.6215 10.6215 11.3812 11.3812 11.8026 11.8026 12.1335 12.1335 12.1772 12.1772 12.5429 12.5429 12.5497 12.5497 12.7370 12.7370 12.8251 12.8251 13.0602 13.0602 13.1770 13.1770 13.3730 13.3730 13.6088 13.6088 13.7990 13.7990 15.1142 15.1142 15.6148 15.6148 16.8744 16.8744 17.7218 17.7218 18.8313 18.8313 19.1127 19.1127 k = 0.3676 0.2123-0.0000 ( 3304 PWs) bands (ev): -19.7000 -19.7000 -2.6149 -2.6149 -1.5352 -1.5352 -1.4654 -1.4654 6.0880 6.0880 8.1059 8.1059 8.5267 8.5267 8.9249 8.9249 9.1884 9.1884 9.3708 9.3708 9.4343 9.4343 9.5550 9.5550 9.6580 9.6580 9.9441 9.9441 10.1805 10.1805 10.2604 10.2604 10.6083 10.6083 11.3547 11.3547 11.7687 11.7687 12.1498 12.1498 12.1632 12.1632 12.5243 12.5243 12.5486 12.5486 12.7090 12.7090 12.7998 12.7998 13.0314 13.0314 13.1745 13.1745 13.3354 13.3354 13.5774 13.5774 13.7724 13.7724 15.1134 15.1134 15.5764 15.5764 16.8801 16.8801 17.7764 17.7764 18.8326 18.8326 19.1492 19.1492 k = 0.3824 0.2208-0.0000 ( 3300 PWs) bands (ev): -19.7000 -19.7000 -2.6154 -2.6154 -1.5364 -1.5364 -1.4656 -1.4656 6.1485 6.1485 8.0492 8.0492 8.5609 8.5609 8.9254 8.9254 9.1883 9.1883 9.3967 9.3967 9.4592 9.4592 9.5522 9.5522 9.6452 9.6452 9.9459 9.9459 10.2062 10.2062 10.2907 10.2907 10.5968 10.5968 11.3260 11.3260 11.7316 11.7316 12.1390 12.1390 12.1752 12.1752 12.5024 12.5024 12.5491 12.5491 12.6824 12.6824 12.7767 12.7767 13.0050 13.0050 13.1773 13.1773 13.3042 13.3042 13.5450 13.5450 13.7516 13.7516 15.1127 15.1127 15.5419 15.5419 16.8856 16.8856 17.8260 17.8260 18.8320 18.8320 19.1818 19.1818 k = 0.3971 0.2292-0.0000 ( 3298 PWs) bands (ev): -19.6999 -19.6999 -2.6158 -2.6158 -1.5374 -1.5374 -1.4658 -1.4658 6.2068 6.2068 7.9928 7.9928 8.5950 8.5950 8.9260 8.9260 9.1866 9.1866 9.4225 9.4225 9.4826 9.4826 9.5499 9.5499 9.6339 9.6339 9.9345 9.9345 10.2334 10.2334 10.3301 10.3301 10.5889 10.5889 11.2949 11.2949 11.6924 11.6924 12.1199 12.1199 12.1951 12.1951 12.4795 12.4795 12.5487 12.5487 12.6589 12.6589 12.7559 12.7559 12.9820 12.9820 13.1835 13.1835 13.2788 13.2788 13.5127 13.5127 13.7352 13.7352 15.1123 15.1123 15.5114 15.5114 16.8907 16.8907 17.8703 17.8703 18.8300 18.8300 19.2104 19.2104 k = 0.4118 0.2377-0.0000 ( 3296 PWs) bands (ev): -19.6999 -19.6999 -2.6162 -2.6162 -1.5384 -1.5384 -1.4660 -1.4660 6.2618 6.2618 7.9387 7.9387 8.6273 8.6273 8.9267 8.9267 9.1836 9.1836 9.4469 9.4469 9.5040 9.5040 9.5494 9.5494 9.6245 9.6245 9.9149 9.9149 10.2602 10.2602 10.3711 10.3711 10.5885 10.5885 11.2610 11.2610 11.6525 11.6525 12.1010 12.1010 12.2154 12.2154 12.4563 12.4563 12.5462 12.5462 12.6403 12.6403 12.7375 12.7375 12.9623 12.9623 13.1923 13.1923 13.2584 13.2584 13.4813 13.4813 13.7223 13.7223 15.1119 15.1119 15.4849 15.4849 16.8954 16.8954 17.9092 17.9092 18.8272 18.8272 19.2352 19.2352 k = 0.4265 0.2462-0.0000 ( 3296 PWs) bands (ev): -19.6999 -19.6999 -2.6165 -2.6165 -1.5392 -1.5392 -1.4661 -1.4661 6.3123 6.3123 7.8887 7.8887 8.6567 8.6567 8.9274 8.9274 9.1797 9.1797 9.4679 9.4679 9.5231 9.5231 9.5522 9.5522 9.6171 9.6171 9.8910 9.8910 10.2855 10.2855 10.4037 10.4037 10.6021 10.6021 11.2238 11.2238 11.6138 11.6138 12.0833 12.0833 12.2357 12.2357 12.4337 12.4337 12.5407 12.5407 12.6277 12.6277 12.7216 12.7216 12.9460 12.9460 13.2032 13.2032 13.2424 13.2424 13.4514 13.4514 13.7122 13.7122 15.1117 15.1117 15.4624 15.4624 16.8994 16.8994 17.9424 17.9424 18.8239 18.8239 19.2560 19.2560 k = 0.4412 0.2547-0.0000 ( 3304 PWs) bands (ev): -19.6998 -19.6998 -2.6168 -2.6168 -1.5398 -1.5398 -1.4663 -1.4663 6.3568 6.3568 7.8443 7.8443 8.6824 8.6824 8.9282 8.9282 9.1754 9.1754 9.4825 9.4825 9.5411 9.5411 9.5593 9.5593 9.6115 9.6115 9.8658 9.8658 10.3090 10.3090 10.4204 10.4204 10.6341 10.6341 11.1829 11.1829 11.5788 11.5788 12.0679 12.0679 12.2555 12.2555 12.4121 12.4121 12.5323 12.5323 12.6210 12.6210 12.7085 12.7085 12.9327 12.9327 13.2151 13.2151 13.2306 13.2306 13.4236 13.4236 13.7044 13.7044 15.1115 15.1115 15.4439 15.4439 16.9029 16.9029 17.9699 17.9699 18.8206 18.8206 19.2731 19.2731 k = 0.4559 0.2632-0.0000 ( 3298 PWs) bands (ev): -19.6998 -19.6998 -2.6170 -2.6170 -1.5404 -1.5404 -1.4663 -1.4663 6.3939 6.3939 7.8073 7.8073 8.7034 8.7034 8.9290 8.9290 9.1711 9.1711 9.4900 9.4900 9.5596 9.5596 9.5684 9.5684 9.6075 9.6075 9.8413 9.8413 10.3307 10.3307 10.4222 10.4222 10.6802 10.6802 11.1391 11.1391 11.5495 11.5495 12.0554 12.0554 12.2747 12.2747 12.3919 12.3919 12.5230 12.5230 12.6183 12.6183 12.6981 12.6981 12.9224 12.9224 13.2191 13.2191 13.2306 13.2306 13.3986 13.3986 13.6986 13.6986 15.1115 15.1115 15.4295 15.4295 16.9057 16.9057 17.9913 17.9913 18.8177 18.8177 19.2863 19.2863 k = 0.4706 0.2717-0.0000 ( 3292 PWs) bands (ev): -19.6998 -19.6998 -2.6171 -2.6171 -1.5408 -1.5408 -1.4664 -1.4664 6.4218 6.4218 7.7793 7.7793 8.7190 8.7190 8.9297 8.9297 9.1674 9.1674 9.4930 9.4930 9.5758 9.5758 9.5779 9.5779 9.6050 9.6050 9.8199 9.8199 10.3507 10.3507 10.4150 10.4150 10.7305 10.7305 11.0951 11.0951 11.5276 11.5276 12.0461 12.0461 12.2928 12.2928 12.3735 12.3735 12.5146 12.5146 12.6177 12.6177 12.6906 12.6906 12.9150 12.9150 13.2137 13.2137 13.2427 13.2427 13.3774 13.3774 13.6946 13.6946 15.1114 15.1114 15.4192 15.4192 16.9077 16.9077 18.0067 18.0067 18.8154 18.8154 19.2958 19.2958 k = 0.4853 0.2802-0.0000 ( 3292 PWs) bands (ev): -19.6998 -19.6998 -2.6172 -2.6172 -1.5410 -1.5410 -1.4665 -1.4665 6.4392 6.4392 7.7619 7.7619 8.7286 8.7286 8.9301 8.9301 9.1650 9.1650 9.4939 9.4939 9.5817 9.5817 9.5901 9.5901 9.6041 9.6041 9.8048 9.8048 10.3688 10.3688 10.4034 10.4034 10.7725 10.7725 11.0582 11.0582 11.5142 11.5142 12.0405 12.0405 12.3089 12.3089 12.3574 12.3574 12.5089 12.5089 12.6179 12.6179 12.6861 12.6861 12.9106 12.9106 13.2101 13.2101 13.2529 13.2529 13.3621 13.3621 13.6922 13.6922 15.1114 15.1114 15.4130 15.4130 16.9089 16.9089 18.0160 18.0160 18.8139 18.8139 19.3015 19.3015 k = 0.5000 0.2887-0.0000 ( 3288 PWs) bands (ev): -19.6998 -19.6998 -2.6172 -2.6172 -1.5411 -1.5411 -1.4665 -1.4665 6.4452 6.4452 7.7559 7.7559 8.7319 8.7319 8.9303 8.9303 9.1641 9.1641 9.4940 9.4940 9.5836 9.5836 9.5944 9.5944 9.6044 9.6044 9.7992 9.7992 10.3806 10.3806 10.3935 10.3935 10.7901 10.7901 11.0425 11.0425 11.5097 11.5097 12.0386 12.0386 12.3172 12.3172 12.3491 12.3491 12.5069 12.5069 12.6180 12.6180 12.6846 12.6846 12.9091 12.9091 13.2089 13.2089 13.2571 13.2571 13.3563 13.3563 13.6915 13.6915 15.1114 15.1114 15.4109 15.4109 16.9093 16.9093 18.0191 18.0191 18.8134 18.8134 19.3034 19.3034 k = 0.5000 0.2887-0.0000 ( 3288 PWs) bands (ev): -19.6998 -19.6998 -2.6172 -2.6172 -1.5411 -1.5411 -1.4665 -1.4665 6.4452 6.4452 7.7559 7.7559 8.7319 8.7319 8.9303 8.9303 9.1641 9.1641 9.4940 9.4940 9.5836 9.5836 9.5944 9.5944 9.6044 9.6044 9.7992 9.7992 10.3806 10.3806 10.3935 10.3935 10.7901 10.7901 11.0425 11.0425 11.5097 11.5097 12.0386 12.0386 12.3172 12.3172 12.3491 12.3491 12.5069 12.5069 12.6180 12.6180 12.6846 12.6846 12.9091 12.9091 13.2089 13.2089 13.2571 13.2571 13.3563 13.3563 13.6915 13.6915 15.1114 15.1114 15.4109 15.4109 16.9093 16.9093 18.0191 18.0191 18.8134 18.8134 19.3034 19.3034 k = 0.4917 0.3031-0.0000 ( 3294 PWs) bands (ev): -19.6998 -19.6998 -2.6172 -2.6172 -1.5411 -1.5411 -1.4665 -1.4665 6.4470 6.4470 7.7544 7.7544 8.7322 8.7322 8.9312 8.9312 9.1633 9.1633 9.4930 9.4930 9.5745 9.5745 9.6007 9.6007 9.6085 9.6085 9.7979 9.7979 10.3758 10.3758 10.4010 10.4010 10.7877 10.7877 11.0457 11.0457 11.5093 11.5093 12.0385 12.0385 12.2981 12.2981 12.3660 12.3660 12.5031 12.5031 12.6210 12.6210 12.6841 12.6841 12.9116 12.9116 13.2068 13.2068 13.2565 13.2565 13.3591 13.3591 13.6912 13.6912 15.1111 15.1111 15.4010 15.4010 16.9175 16.9175 18.0219 18.0219 18.8108 18.8108 19.2993 19.2993 k = 0.4833 0.3175-0.0000 ( 3302 PWs) bands (ev): -19.6998 -19.6998 -2.6173 -2.6173 -1.5410 -1.5410 -1.4666 -1.4666 6.4526 6.4526 7.7497 7.7497 8.7333 8.7333 8.9340 8.9340 9.1610 9.1610 9.4896 9.4896 9.5622 9.5622 9.6043 9.6043 9.6213 9.6213 9.7941 9.7941 10.3696 10.3696 10.4150 10.4150 10.7811 10.7811 11.0548 11.0548 11.5083 11.5083 12.0380 12.0380 12.2678 12.2678 12.3898 12.3898 12.4931 12.4931 12.6291 12.6291 12.6825 12.6825 12.9188 12.9188 13.2010 13.2010 13.2549 13.2549 13.3671 13.3671 13.6904 13.6904 15.1100 15.1100 15.3722 15.3722 16.9413 16.9413 18.0303 18.0303 18.8030 18.8030 19.2873 19.2873 k = 0.4750 0.3320-0.0000 ( 3306 PWs) bands (ev): -19.6998 -19.6998 -2.6173 -2.6173 -1.5410 -1.5410 -1.4668 -1.4668 6.4617 6.4617 7.7419 7.7419 8.7351 8.7351 8.9386 8.9386 9.1572 9.1572 9.4837 9.4837 9.5511 9.5511 9.6081 9.6081 9.6358 9.6358 9.7879 9.7879 10.3649 10.3649 10.4324 10.4324 10.7718 10.7718 11.0681 11.0681 11.5070 11.5070 12.0352 12.0352 12.2373 12.2373 12.4109 12.4109 12.4796 12.4796 12.6401 12.6401 12.6801 12.6801 12.9297 12.9297 13.1927 13.1927 13.2526 13.2526 13.3791 13.3791 13.6891 13.6891 15.1082 15.1082 15.3266 15.3266 16.9790 16.9790 18.0442 18.0442 18.7902 18.7902 19.2677 19.2677 k = 0.4667 0.3464-0.0000 ( 3306 PWs) bands (ev): -19.6998 -19.6998 -2.6173 -2.6173 -1.5409 -1.5409 -1.4670 -1.4670 6.4746 6.4746 7.7310 7.7310 8.7377 8.7377 8.9449 8.9449 9.1520 9.1520 9.4749 9.4749 9.5416 9.5416 9.6133 9.6133 9.6504 9.6504 9.7796 9.7796 10.3616 10.3616 10.4527 10.4527 10.7616 10.7616 11.0836 11.0836 11.5059 11.5059 12.0272 12.0272 12.2107 12.2107 12.4256 12.4256 12.4674 12.4674 12.6523 12.6523 12.6773 12.6773 12.9429 12.9429 13.1832 13.1832 13.2500 13.2500 13.3939 13.3939 13.6873 13.6873 15.1053 15.1053 15.2671 15.2671 17.0278 17.0278 18.0635 18.0635 18.7727 18.7727 19.2412 19.2412 k = 0.4583 0.3608-0.0000 ( 3294 PWs) bands (ev): -19.6998 -19.6998 -2.6174 -2.6174 -1.5409 -1.5409 -1.4673 -1.4673 6.4910 6.4910 7.7168 7.7168 8.7410 8.7410 8.9531 8.9531 9.1454 9.1454 9.4636 9.4636 9.5337 9.5337 9.6202 9.6202 9.6647 9.6647 9.7697 9.7697 10.3593 10.3593 10.4756 10.4756 10.7521 10.7521 11.0994 11.0994 11.5055 11.5055 12.0100 12.0100 12.1925 12.1925 12.4250 12.4250 12.4664 12.4664 12.6631 12.6631 12.6761 12.6761 12.9567 12.9567 13.1736 13.1736 13.2478 13.2478 13.4105 13.4105 13.6851 13.6851 15.1003 15.1003 15.1981 15.1981 17.0852 17.0852 18.0881 18.0881 18.7510 18.7510 19.2086 19.2086 k = 0.4500 0.3753-0.0000 ( 3294 PWs) bands (ev): -19.6997 -19.6997 -2.6174 -2.6174 -1.5408 -1.5408 -1.4677 -1.4677 6.5110 6.5110 7.6995 7.6995 8.7450 8.7450 8.9630 8.9630 9.1377 9.1377 9.4503 9.4503 9.5269 9.5269 9.6288 9.6288 9.6784 9.6784 9.7587 9.7587 10.3575 10.3575 10.5008 10.5008 10.7447 10.7447 11.1135 11.1135 11.5068 11.5068 11.9813 11.9813 12.1850 12.1850 12.4107 12.4107 12.4760 12.4760 12.6652 12.6652 12.6833 12.6833 12.9693 12.9693 13.1647 13.1647 13.2468 13.2468 13.4282 13.4282 13.6826 13.6826 15.0829 15.0829 15.1323 15.1323 17.1487 17.1487 18.1178 18.1178 18.7256 18.7256 19.1708 19.1708 k = 0.4417 0.3897-0.0000 ( 3294 PWs) bands (ev): -19.6997 -19.6997 -2.6175 -2.6175 -1.5407 -1.5407 -1.4680 -1.4680 6.5346 6.5346 7.6788 7.6788 8.7499 8.7499 8.9745 8.9745 9.1290 9.1290 9.4356 9.4356 9.5208 9.5208 9.6390 9.6390 9.6905 9.6905 9.7475 9.7475 10.3557 10.3557 10.5280 10.5280 10.7406 10.7406 11.1244 11.1244 11.5105 11.5105 11.9427 11.9427 12.1868 12.1868 12.3924 12.3924 12.4874 12.4874 12.6618 12.6618 12.6953 12.6953 12.9786 12.9786 13.1571 13.1571 13.2483 13.2483 13.4467 13.4467 13.6798 13.6798 15.0173 15.0173 15.1083 15.1083 17.2163 17.2163 18.1523 18.1523 18.6972 18.6972 19.1288 19.1288 k = 0.4333 0.4041-0.0000 ( 3294 PWs) bands (ev): -19.6997 -19.6997 -2.6175 -2.6175 -1.5406 -1.5406 -1.4685 -1.4685 6.5615 6.5615 7.6549 7.6549 8.7555 8.7555 8.9877 8.9877 9.1194 9.1194 9.4199 9.4199 9.5150 9.5150 9.6506 9.6506 9.6990 9.6990 9.7386 9.7386 10.3534 10.3534 10.5568 10.5568 10.7408 10.7408 11.1306 11.1306 11.5173 11.5173 11.8972 11.8972 12.1951 12.1951 12.3733 12.3733 12.4982 12.4982 12.6574 12.6574 12.7075 12.7075 12.9831 12.9831 13.1510 13.1510 13.2534 13.2534 13.4653 13.4653 13.6769 13.6769 14.9303 14.9303 15.1016 15.1016 17.2862 17.2862 18.1914 18.1914 18.6666 18.6666 19.0835 19.0835 k = 0.4250 0.4186-0.0000 ( 3288 PWs) bands (ev): -19.6997 -19.6997 -2.6176 -2.6176 -1.5406 -1.5406 -1.4689 -1.4689 6.5919 6.5919 7.6276 7.6276 8.7619 8.7619 9.0024 9.0024 9.1091 9.1091 9.4037 9.4037 9.5094 9.5094 9.6632 9.6632 9.6989 9.6989 9.7374 9.7374 10.3505 10.3505 10.5866 10.5866 10.7460 10.7460 11.1312 11.1312 11.5276 11.5276 11.8474 11.8474 12.2072 12.2072 12.3543 12.3543 12.5082 12.5082 12.6524 12.6524 12.7190 12.7190 12.9816 12.9816 13.1465 13.1465 13.2628 13.2628 13.4839 13.4839 13.6741 13.6741 14.8388 14.8388 15.0972 15.0972 17.3570 17.3570 18.2345 18.2345 18.6349 18.6349 19.0356 19.0356 k = 0.4167 0.4330-0.0000 ( 3296 PWs) bands (ev): -19.6997 -19.6997 -2.6176 -2.6176 -1.5405 -1.5405 -1.4694 -1.4694 6.6255 6.6255 7.5970 7.5970 8.7691 8.7691 9.0186 9.0186 9.0982 9.0982 9.3871 9.3871 9.5041 9.5041 9.6748 9.6748 9.6917 9.6917 9.7442 9.7442 10.3471 10.3471 10.6168 10.6168 10.7567 10.7567 11.1259 11.1259 11.5409 11.5409 11.7953 11.7953 12.2215 12.2215 12.3361 12.3361 12.5176 12.5176 12.6473 12.6473 12.7295 12.7295 12.9739 12.9739 13.1433 13.1433 13.2768 13.2768 13.5018 13.5018 13.6716 13.6716 14.7464 14.7464 15.0933 15.0933 17.4277 17.4277 18.2811 18.2811 18.6035 18.6035 18.9862 18.9862 k = 0.4083 0.4474-0.0000 ( 3288 PWs) bands (ev): -19.6997 -19.6997 -2.6177 -2.6177 -1.5404 -1.5404 -1.4698 -1.4698 6.6624 6.6624 7.5631 7.5631 8.7770 8.7770 9.0359 9.0359 9.0870 9.0870 9.3704 9.3704 9.4990 9.4990 9.6718 9.6718 9.6960 9.6960 9.7538 9.7538 10.3433 10.3433 10.6469 10.6469 10.7731 10.7731 11.1148 11.1148 11.5562 11.5562 11.7424 11.7424 12.2363 12.2363 12.3192 12.3192 12.5268 12.5268 12.6419 12.6419 12.7388 12.7388 12.9606 12.9606 13.1414 13.1414 13.2948 13.2948 13.5186 13.5186 13.6698 13.6698 14.6548 14.6548 15.0897 15.0897 17.4971 17.4971 18.3299 18.3299 18.5743 18.5743 18.9358 18.9358 k = 0.4000 0.4619-0.0000 ( 3282 PWs) bands (ev): -19.6997 -19.6997 -2.6178 -2.6178 -1.5404 -1.5404 -1.4702 -1.4702 6.7023 6.7023 7.5258 7.5258 8.7857 8.7857 9.0540 9.0540 9.0759 9.0759 9.3537 9.3537 9.4942 9.4942 9.6585 9.6585 9.7097 9.7097 9.7638 9.7638 10.3395 10.3395 10.6763 10.6763 10.7950 10.7950 11.0984 11.0984 11.5712 11.5712 11.6913 11.6913 12.2500 12.2500 12.3050 12.3050 12.5360 12.5360 12.6367 12.6367 12.7467 12.7467 12.9426 12.9426 13.1404 13.1404 13.3158 13.3158 13.5337 13.5337 13.6689 13.6689 14.5659 14.5659 15.0864 15.0864 17.5642 17.5642 18.3775 18.3775 18.5515 18.5515 18.8852 18.8852 k = 0.3917 0.4763-0.0000 ( 3278 PWs) bands (ev): -19.6997 -19.6997 -2.6179 -2.6179 -1.5404 -1.5404 -1.4706 -1.4706 6.7453 6.7453 7.4852 7.4852 8.7950 8.7950 9.0616 9.0616 9.0761 9.0761 9.3372 9.3372 9.4898 9.4898 9.6439 9.6439 9.7242 9.7242 9.7733 9.7733 10.3363 10.3363 10.7049 10.7049 10.8218 10.8218 11.0775 11.0775 11.5772 11.5772 11.6503 11.6503 12.2585 12.2585 12.2970 12.2970 12.5456 12.5456 12.6316 12.6316 12.7531 12.7531 12.9211 12.9211 13.1402 13.1402 13.3388 13.3388 13.5465 13.5465 13.6691 13.6691 14.4812 14.4812 15.0834 15.0834 17.6280 17.6280 18.4152 18.4152 18.5449 18.5449 18.8349 18.8349 k = 0.3833 0.4907-0.0000 ( 3272 PWs) bands (ev): -19.6996 -19.6996 -2.6179 -2.6179 -1.5403 -1.5403 -1.4710 -1.4710 6.7911 6.7911 7.4415 7.4415 8.8050 8.8050 9.0509 9.0509 9.0952 9.0952 9.3208 9.3208 9.4860 9.4860 9.6295 9.6295 9.7381 9.7381 9.7821 9.7821 10.3342 10.3342 10.7325 10.7325 10.8524 10.8524 11.0529 11.0529 11.5533 11.5533 11.6402 11.6402 12.2567 12.2567 12.2999 12.2999 12.5556 12.5556 12.6269 12.6269 12.7577 12.7577 12.8973 12.8973 13.1407 13.1407 13.3629 13.3629 13.5568 13.5568 13.6704 13.6704 14.4025 14.4025 15.0807 15.0807 17.6871 17.6871 18.4292 18.4292 18.5695 18.5695 18.7857 18.7857 k = 0.3750 0.5052-0.0000 ( 3272 PWs) bands (ev): -19.6996 -19.6996 -2.6180 -2.6180 -1.5403 -1.5403 -1.4714 -1.4714 6.8397 6.8397 7.3947 7.3947 8.8152 8.8152 9.0395 9.0395 9.1155 9.1155 9.3049 9.3049 9.4828 9.4828 9.6156 9.6156 9.7509 9.7509 9.7898 9.7898 10.3335 10.3335 10.7595 10.7595 10.8853 10.8853 11.0256 11.0256 11.5095 11.5095 11.6509 11.6509 12.2489 12.2489 12.3091 12.3091 12.5661 12.5661 12.6230 12.6230 12.7599 12.7599 12.8730 12.8730 13.1415 13.1415 13.3870 13.3870 13.5646 13.5646 13.6720 13.6720 14.3316 14.3316 15.0783 15.0783 17.7400 17.7400 18.4260 18.4260 18.6194 18.6194 18.7385 18.7385 k = 0.3667 0.5196-0.0000 ( 3274 PWs) bands (ev): -19.6996 -19.6996 -2.6181 -2.6181 -1.5403 -1.5403 -1.4716 -1.4716 6.8908 6.8908 7.3449 7.3449 8.8255 8.8255 9.0285 9.0285 9.1356 9.1356 9.2896 9.2896 9.4802 9.4802 9.6028 9.6028 9.7620 9.7620 9.7963 9.7963 10.3345 10.3345 10.7859 10.7859 10.9184 10.9184 10.9968 10.9968 11.4637 11.4637 11.6648 11.6648 12.2408 12.2408 12.3187 12.3187 12.5767 12.5767 12.6202 12.6202 12.7587 12.7587 12.8506 12.8506 13.1425 13.1425 13.4102 13.4102 13.5707 13.5707 13.6725 13.6725 14.2707 14.2707 15.0763 15.0763 17.7850 17.7850 18.4214 18.4214 18.6707 18.6707 18.7034 18.7034 k = 0.3583 0.5340-0.0000 ( 3272 PWs) bands (ev): -19.6996 -19.6996 -2.6181 -2.6181 -1.5403 -1.5403 -1.4719 -1.4719 6.9445 6.9445 7.2922 7.2922 8.8353 8.8353 9.0184 9.0184 9.1548 9.1548 9.2753 9.2753 9.4784 9.4784 9.5916 9.5916 9.7709 9.7709 9.8016 9.8016 10.3369 10.3369 10.8117 10.8117 10.9471 10.9471 10.9699 10.9699 11.4216 11.4216 11.6773 11.6773 12.2341 12.2341 12.3266 12.3266 12.5869 12.5869 12.6190 12.6190 12.7528 12.7528 12.8331 12.8331 13.1434 13.1434 13.4310 13.4310 13.5763 13.5763 13.6702 13.6702 14.2218 14.2218 15.0748 15.0748 17.8203 17.8203 18.4227 18.4227 18.6439 18.6439 18.7540 18.7540 k = 0.3500 0.5485-0.0000 ( 3272 PWs) bands (ev): -19.6996 -19.6996 -2.6182 -2.6182 -1.5403 -1.5403 -1.4720 -1.4720 7.0005 7.0005 7.2369 7.2369 8.8439 8.8439 9.0099 9.0099 9.1716 9.1716 9.2628 9.2628 9.4773 9.4773 9.5826 9.5826 9.7773 9.7773 9.8056 9.8056 10.3402 10.3402 10.8366 10.8366 10.9347 10.9347 10.9802 10.9802 11.3869 11.3869 11.6868 11.6868 12.2295 12.2295 12.3319 12.3319 12.5955 12.5955 12.6196 12.6196 12.7427 12.7427 12.8226 12.8226 13.1441 13.1441 13.4478 13.4478 13.5826 13.5826 13.6643 13.6643 14.1866 14.1866 15.0737 15.0737 17.8449 17.8449 18.4321 18.4321 18.6051 18.6051 18.8214 18.8214 k = 0.3417 0.5629-0.0000 ( 3270 PWs) bands (ev): -19.6996 -19.6996 -2.6182 -2.6182 -1.5404 -1.5404 -1.4721 -1.4721 7.0587 7.0587 7.1792 7.1792 8.8500 8.8500 9.0040 9.0040 9.1837 9.1837 9.2537 9.2537 9.4767 9.4767 9.5766 9.5766 9.7811 9.7811 9.8081 9.8081 10.3433 10.3433 10.8603 10.8603 10.9082 10.9082 10.9982 10.9982 11.3635 11.3635 11.6926 11.6926 12.2270 12.2270 12.3347 12.3347 12.6017 12.6017 12.6207 12.6207 12.7325 12.7325 12.8179 12.8179 13.1446 13.1446 13.4588 13.4588 13.5896 13.5896 13.6559 13.6559 14.1661 14.1661 15.0730 15.0730 17.8588 17.8588 18.4472 18.4472 18.5727 18.5727 18.8840 18.8840 k = 0.3333 0.5774-0.0000 ( 3282 PWs) bands (ev): -19.6996 -19.6996 -2.6182 -2.6182 -1.5404 -1.5404 -1.4722 -1.4722 7.1159 7.1159 7.1220 7.1220 8.8523 8.8523 9.0018 9.0018 9.1882 9.1882 9.2504 9.2504 9.4766 9.4766 9.5743 9.5743 9.7823 9.7823 9.8090 9.8090 10.3448 10.3448 10.8787 10.8787 10.8886 10.8886 11.0049 11.0049 11.3552 11.3552 11.6946 11.6946 12.2262 12.2262 12.3354 12.3354 12.6046 12.6046 12.6206 12.6206 12.7282 12.7282 12.8167 12.8167 13.1448 13.1448 13.4626 13.4626 13.5936 13.5936 13.6509 13.6509 14.1595 14.1595 15.0727 15.0727 17.8629 17.8629 18.4567 18.4567 18.5579 18.5579 18.9162 18.9162 k = 0.3333 0.5774-0.0000 ( 3282 PWs) bands (ev): -19.6996 -19.6996 -2.6182 -2.6182 -1.5404 -1.5404 -1.4722 -1.4722 7.1159 7.1159 7.1220 7.1220 8.8523 8.8523 9.0018 9.0018 9.1882 9.1882 9.2504 9.2504 9.4766 9.4766 9.5743 9.5743 9.7823 9.7823 9.8090 9.8090 10.3448 10.3448 10.8787 10.8787 10.8886 10.8886 11.0049 11.0049 11.3552 11.3552 11.6946 11.6946 12.2262 12.2262 12.3354 12.3354 12.6046 12.6046 12.6206 12.6206 12.7282 12.7282 12.8167 12.8167 13.1448 13.1448 13.4626 13.4626 13.5936 13.5936 13.6509 13.6509 14.1595 14.1595 15.0727 15.0727 17.8629 17.8629 18.4567 18.4567 18.5579 18.5579 18.9162 18.9162 k = 0.3248 0.5625-0.0000 ( 3274 PWs) bands (ev): -19.6996 -19.6996 -2.6182 -2.6182 -1.5404 -1.5404 -1.4721 -1.4721 7.0551 7.0551 7.1828 7.1828 8.8496 8.8496 9.0043 9.0043 9.1842 9.1842 9.2529 9.2529 9.4766 9.4766 9.5770 9.5770 9.7812 9.7812 9.8080 9.8080 10.3426 10.3426 10.8628 10.8628 10.9062 10.9062 10.9981 10.9981 11.3637 11.3637 11.6927 11.6927 12.2268 12.2268 12.3351 12.3351 12.5995 12.5995 12.6230 12.6230 12.7328 12.7328 12.8176 12.8176 13.1446 13.1446 13.4585 13.4585 13.5885 13.5885 13.6580 13.6580 14.1657 14.1657 15.0730 15.0730 17.8593 17.8593 18.4444 18.4444 18.5748 18.5748 18.8828 18.8828 k = 0.3162 0.5477-0.0000 ( 3272 PWs) bands (ev): -19.6996 -19.6996 -2.6181 -2.6181 -1.5403 -1.5403 -1.4720 -1.4720 6.9893 6.9893 7.2482 7.2482 8.8412 8.8412 9.0117 9.0117 9.1748 9.1748 9.2576 9.2576 9.4768 9.4768 9.5852 9.5852 9.7781 9.7781 9.8047 9.8047 10.3349 10.3349 10.8476 10.8476 10.9264 10.9264 10.9808 10.9808 11.3869 11.3869 11.6877 11.6877 12.2283 12.2283 12.3351 12.3351 12.5868 12.5868 12.6301 12.6301 12.7448 12.7448 12.8196 12.8196 13.1441 13.1441 13.4461 13.4461 13.5780 13.5780 13.6759 13.6759 14.1825 14.1825 15.0737 15.0737 17.8499 17.8499 18.4177 18.4177 18.6122 18.6122 18.8201 18.8201 k = 0.3077 0.5329-0.0000 ( 3266 PWs) bands (ev): -19.6996 -19.6996 -2.6181 -2.6181 -1.5402 -1.5402 -1.4719 -1.4719 6.9218 6.9218 7.3154 7.3154 8.8278 8.8278 9.0232 9.0232 9.1633 9.1633 9.2609 9.2609 9.4771 9.4771 9.5991 9.5991 9.7736 9.7736 9.7990 9.7990 10.3205 10.3205 10.8358 10.8358 10.9385 10.9385 10.9654 10.9654 11.4202 11.4202 11.6807 11.6807 12.2304 12.2304 12.3366 12.3366 12.5711 12.5711 12.6395 12.6395 12.7612 12.7612 12.8225 12.8225 13.1435 13.1435 13.4268 13.4268 13.5691 13.5691 13.6992 13.6992 14.2080 14.2080 15.0748 15.0748 17.8369 17.8369 18.3873 18.3873 18.6467 18.6467 18.7639 18.7639 k = 0.2991 0.5181-0.0000 ( 3270 PWs) bands (ev): -19.6996 -19.6996 -2.6180 -2.6180 -1.5401 -1.5401 -1.4716 -1.4716 6.8527 6.8527 7.3839 7.3839 8.8099 8.8099 9.0374 9.0374 9.1510 9.1510 9.2617 9.2617 9.4777 9.4777 9.6182 9.6182 9.7682 9.7682 9.7908 9.7908 10.2993 10.2993 10.8245 10.8245 10.9187 10.9187 10.9814 10.9814 11.4590 11.4590 11.6736 11.6736 12.2335 12.2335 12.3401 12.3401 12.5552 12.5552 12.6505 12.6505 12.7799 12.7799 12.8262 12.8262 13.1427 13.1427 13.4026 13.4026 13.5640 13.5640 13.7251 13.7251 14.2403 14.2403 15.0764 15.0764 17.8216 17.8216 18.3567 18.3567 18.6282 18.6282 18.7644 18.7644 k = 0.2906 0.5033-0.0000 ( 3274 PWs) bands (ev): -19.6996 -19.6996 -2.6179 -2.6179 -1.5399 -1.5399 -1.4713 -1.4713 6.7824 6.7824 7.4538 7.4538 8.7885 8.7885 9.0530 9.0530 9.1389 9.1389 9.2600 9.2600 9.4788 9.4788 9.6416 9.6416 9.7621 9.7621 9.7803 9.7803 10.2720 10.2720 10.8098 10.8098 10.8903 10.8903 11.0105 11.0105 11.4994 11.4994 11.6691 11.6691 12.2381 12.2381 12.3457 12.3457 12.5400 12.5400 12.6623 12.6623 12.7995 12.7995 12.8309 12.8309 13.1420 13.1420 13.3764 13.3764 13.5626 13.5626 13.7524 13.7524 14.2784 14.2784 15.0784 15.0784 17.8052 17.8052 18.3268 18.3268 18.5645 18.5645 18.8130 18.8130 k = 0.2821 0.4885-0.0000 ( 3268 PWs) bands (ev): -19.6997 -19.6997 -2.6177 -2.6177 -1.5397 -1.5397 -1.4710 -1.4710 6.7110 6.7110 7.5247 7.5247 8.7638 8.7638 9.0684 9.0684 9.1276 9.1276 9.2560 9.2560 9.4806 9.4806 9.6677 9.6677 9.7547 9.7547 9.7691 9.7691 10.2400 10.2400 10.7886 10.7886 10.8620 10.8620 11.0465 11.0465 11.5369 11.5369 11.6712 11.6712 12.2444 12.2444 12.3530 12.3530 12.5263 12.5263 12.6743 12.6743 12.8192 12.8192 12.8367 12.8367 13.1418 13.1418 13.3504 13.3504 13.5644 13.5644 13.7808 13.7808 14.3213 14.3213 15.0807 15.0807 17.7886 17.7886 18.2976 18.2976 18.4921 18.4921 18.8721 18.8721 k = 0.2735 0.4737-0.0000 ( 3280 PWs) bands (ev): -19.6997 -19.6997 -2.6175 -2.6175 -1.5393 -1.5393 -1.4706 -1.4706 6.6388 6.6388 7.5966 7.5966 8.7363 8.7363 9.0810 9.0810 9.1191 9.1191 9.2507 9.2507 9.4831 9.4831 9.6938 9.6938 9.7428 9.7428 9.7624 9.7624 10.2047 10.2047 10.7592 10.7592 10.8359 10.8359 11.0885 11.0885 11.5659 11.5659 11.6853 11.6853 12.2521 12.2521 12.3623 12.3623 12.5145 12.5145 12.6862 12.6862 12.8380 12.8380 12.8441 12.8441 13.1425 13.1425 13.3261 13.3261 13.5688 13.5688 13.8101 13.8101 14.3685 14.3685 15.0835 15.0835 17.7722 17.7722 18.2690 18.2690 18.4182 18.4182 18.9335 18.9335 k = 0.2650 0.4589-0.0000 ( 3282 PWs) bands (ev): -19.6997 -19.6997 -2.6173 -2.6173 -1.5389 -1.5389 -1.4702 -1.4702 6.5661 6.5661 7.6692 7.6692 8.7062 8.7062 9.0851 9.0851 9.1180 9.1180 9.2449 9.2449 9.4864 9.4864 9.7097 9.7097 9.7305 9.7305 9.7664 9.7664 10.1674 10.1674 10.7218 10.7218 10.8124 10.8124 11.1351 11.1351 11.5837 11.5837 11.7141 11.7141 12.2597 12.2597 12.3745 12.3745 12.5049 12.5049 12.6975 12.6975 12.8522 12.8522 12.8566 12.8566 13.1446 13.1446 13.3046 13.3046 13.5756 13.5756 13.8403 13.8403 14.4196 14.4196 15.0867 15.0867 17.7564 17.7564 18.2400 18.2400 18.3447 18.3447 18.9950 18.9950 k = 0.2564 0.4441-0.0000 ( 3282 PWs) bands (ev): -19.6998 -19.6998 -2.6170 -2.6170 -1.5384 -1.5384 -1.4698 -1.4698 6.4930 6.4930 7.7424 7.7424 8.6736 8.6736 9.0793 9.0793 9.1247 9.1247 9.2395 9.2395 9.4904 9.4904 9.6956 9.6956 9.7320 9.7320 9.7859 9.7859 10.1295 10.1295 10.6774 10.6774 10.7919 10.7919 11.1846 11.1846 11.5948 11.5948 11.7531 11.7531 12.2649 12.2649 12.3911 12.3911 12.4977 12.4977 12.7077 12.7077 12.8632 12.8632 12.8726 12.8726 13.1487 13.1487 13.2868 13.2868 13.5843 13.5843 13.8714 13.8714 14.4744 14.4744 15.0904 15.0904 17.7414 17.7414 18.2083 18.2083 18.2743 18.2743 19.0549 19.0549 k = 0.2479 0.4293-0.0000 ( 3282 PWs) bands (ev): -19.6998 -19.6998 -2.6167 -2.6167 -1.5378 -1.5378 -1.4693 -1.4693 6.4199 6.4199 7.8159 7.8159 8.6387 8.6387 9.0699 9.0699 9.1316 9.1316 9.2356 9.2356 9.4950 9.4950 9.6710 9.6710 9.7336 9.7336 9.8146 9.8146 10.0921 10.0921 10.6276 10.6276 10.7744 10.7744 11.2352 11.2352 11.6045 11.6045 11.7965 11.7965 12.2659 12.2659 12.4133 12.4133 12.4929 12.4929 12.7169 12.7169 12.8761 12.8761 12.8867 12.8867 13.1554 13.1554 13.2734 13.2734 13.5946 13.5946 13.9037 13.9037 14.5325 14.5325 15.0945 15.0945 17.7273 17.7273 18.1642 18.1642 18.2163 18.2163 19.1122 19.1122 k = 0.2393 0.4145-0.0000 ( 3290 PWs) bands (ev): -19.6998 -19.6998 -2.6163 -2.6163 -1.5371 -1.5371 -1.4689 -1.4689 6.3468 6.3468 7.8897 7.8897 8.6016 8.6016 9.0597 9.0597 9.1350 9.1350 9.2341 9.2341 9.5002 9.5002 9.6432 9.6432 9.7347 9.7347 9.8444 9.8444 10.0572 10.0572 10.5741 10.5741 10.7598 10.7598 11.2846 11.2846 11.6165 11.6165 11.8409 11.8409 12.2625 12.2625 12.4402 12.4402 12.4910 12.4910 12.7252 12.7252 12.8908 12.8908 12.8989 12.8989 13.1652 13.1652 13.2652 13.2652 13.6063 13.6063 13.9373 13.9373 14.5937 14.5937 15.0994 15.0994 17.7141 17.7141 18.0998 18.0998 18.1781 18.1781 19.1658 19.1658 k = 0.2308 0.3997-0.0000 ( 3290 PWs) bands (ev): -19.6999 -19.6999 -2.6159 -2.6159 -1.5362 -1.5362 -1.4684 -1.4684 6.2741 6.2741 7.9636 7.9636 8.5627 8.5627 9.0495 9.0495 9.1340 9.1340 9.2349 9.2349 9.5057 9.5057 9.6134 9.6134 9.7367 9.7367 9.8696 9.8696 10.0283 10.0283 10.5186 10.5186 10.7481 10.7481 11.3306 11.3306 11.6326 11.6326 11.8841 11.8841 12.2556 12.2556 12.4651 12.4651 12.4971 12.4971 12.7331 12.7331 12.9048 12.9048 12.9117 12.9117 13.1780 13.1780 13.2633 13.2633 13.6190 13.6190 13.9724 13.9724 14.6578 14.6578 15.1051 15.1051 17.7020 17.7020 18.0267 18.0267 18.1479 18.1479 19.2146 19.2146 k = 0.2222 0.3849-0.0000 ( 3290 PWs) bands (ev): -19.6999 -19.6999 -2.6155 -2.6155 -1.5353 -1.5353 -1.4678 -1.4678 6.2020 6.2020 8.0373 8.0373 8.5221 8.5221 9.0395 9.0395 9.1291 9.1291 9.2373 9.2373 9.5108 9.5108 9.5826 9.5826 9.7395 9.7395 9.8822 9.8822 10.0130 10.0130 10.4631 10.4631 10.7391 10.7391 11.3714 11.3714 11.6541 11.6541 11.9246 11.9246 12.2469 12.2469 12.4740 12.4740 12.5227 12.5227 12.7414 12.7414 12.9135 12.9135 12.9298 12.9298 13.1931 13.1931 13.2695 13.2695 13.6326 13.6326 14.0092 14.0092 14.7243 14.7243 15.1121 15.1121 17.6907 17.6907 17.9508 17.9508 18.1191 18.1191 19.2578 19.2578 k = 0.2137 0.3701-0.0000 ( 3294 PWs) bands (ev): -19.7000 -19.7000 -2.6150 -2.6150 -1.5342 -1.5342 -1.4673 -1.4673 6.1306 6.1306 8.1107 8.1107 8.4800 8.4800 9.0298 9.0298 9.1215 9.1215 9.2400 9.2400 9.5130 9.5130 9.5536 9.5536 9.7419 9.7419 9.8759 9.8759 10.0173 10.0173 10.4097 10.4097 10.7326 10.7326 11.4054 11.4054 11.6813 11.6813 11.9607 11.9607 12.2382 12.2382 12.4748 12.4748 12.5569 12.5569 12.7514 12.7514 12.9199 12.9199 12.9509 12.9509 13.2092 13.2092 13.2855 13.2855 13.6467 13.6467 14.0477 14.0477 14.7922 14.7922 15.1213 15.1213 17.6801 17.6801 17.8735 17.8735 18.0902 18.0902 19.2944 19.2944 k = 0.2051 0.3553-0.0000 ( 3300 PWs) bands (ev): -19.7001 -19.7001 -2.6145 -2.6145 -1.5331 -1.5331 -1.4668 -1.4668 6.0602 6.0602 8.1835 8.1835 8.4367 8.4367 9.0205 9.0205 9.1120 9.1120 9.2421 9.2421 9.5006 9.5006 9.5383 9.5383 9.7412 9.7412 9.8589 9.8589 10.0339 10.0339 10.3611 10.3611 10.7283 10.7283 11.4326 11.4326 11.7134 11.7134 11.9908 11.9908 12.2311 12.2311 12.4747 12.4747 12.5896 12.5896 12.7650 12.7650 12.9256 12.9256 12.9736 12.9736 13.2265 13.2265 13.3122 13.3122 13.6612 13.6612 14.0881 14.0881 14.8600 14.8600 15.1343 15.1343 17.6698 17.6698 17.7952 17.7952 18.0604 18.0604 19.3237 19.3237 k = 0.1966 0.3405-0.0000 ( 3301 PWs) bands (ev): -19.7001 -19.7001 -2.6139 -2.6139 -1.5318 -1.5318 -1.4663 -1.4663 5.9910 5.9910 8.2556 8.2556 8.3925 8.3925 9.0116 9.0116 9.1016 9.1016 9.2431 9.2431 9.4715 9.4715 9.5393 9.5393 9.7317 9.7317 9.8450 9.8450 10.0509 10.0509 10.3216 10.3216 10.7260 10.7260 11.4538 11.4538 11.7484 11.7484 12.0133 12.0133 12.2271 12.2271 12.4752 12.4752 12.6161 12.6161 12.7834 12.7834 12.9318 12.9318 12.9975 12.9975 13.2467 13.2467 13.3489 13.3489 13.6759 13.6759 14.1304 14.1304 14.9245 14.9245 15.1541 15.1541 17.6581 17.6581 17.7174 17.7174 18.0295 18.0295 19.3453 19.3453 k = 0.1880 0.3257-0.0000 ( 3301 PWs) bands (ev): -19.7002 -19.7002 -2.6134 -2.6134 -1.5304 -1.5304 -1.4658 -1.4658 5.9231 5.9231 8.3262 8.3262 8.3483 8.3483 9.0032 9.0032 9.0905 9.0905 9.2426 9.2426 9.4388 9.4388 9.5437 9.5437 9.7096 9.7096 9.8422 9.8422 10.0589 10.0589 10.2967 10.2967 10.7253 10.7253 11.4704 11.4704 11.7838 11.7838 12.0275 12.0275 12.2267 12.2267 12.4771 12.4771 12.6346 12.6346 12.8065 12.8065 12.9399 12.9399 13.0220 13.0220 13.2722 13.2722 13.3948 13.3948 13.6908 13.6908 14.1747 14.1747 14.9802 14.9802 15.1863 15.1863 17.6222 17.6222 17.6627 17.6627 17.9972 17.9972 19.3586 19.3586 k = 0.1795 0.3109-0.0000 ( 3289 PWs) bands (ev): -19.7003 -19.7003 -2.6127 -2.6127 -1.5290 -1.5290 -1.4652 -1.4652 5.8568 5.8568 8.3023 8.3023 8.3968 8.3968 8.9952 8.9952 9.0792 9.0792 9.2406 9.2406 9.4061 9.4061 9.5483 9.5483 9.6775 9.6775 9.8491 9.8491 10.0519 10.0519 10.2911 10.2911 10.7260 10.7260 11.4837 11.4837 11.8173 11.8173 12.0346 12.0346 12.2292 12.2292 12.4808 12.4808 12.6455 12.6455 12.8314 12.8314 12.9510 12.9510 13.0461 13.0461 13.3050 13.3050 13.4490 13.4490 13.7061 13.7061 14.2208 14.2208 15.0215 15.0215 15.2364 15.2364 17.5442 17.5442 17.6485 17.6485 17.9636 17.9636 19.3635 19.3635 k = 0.1709 0.2961-0.0000 ( 3291 PWs) bands (ev): -19.7003 -19.7003 -2.6121 -2.6121 -1.5275 -1.5275 -1.4647 -1.4647 5.7923 5.7923 8.2573 8.2573 8.4649 8.4649 8.9877 8.9877 9.0679 9.0679 9.2366 9.2366 9.3748 9.3748 9.5516 9.5516 9.6409 9.6409 9.8617 9.8617 10.0312 10.0312 10.3031 10.3031 10.7279 10.7279 11.4947 11.4947 11.8465 11.8465 12.0375 12.0375 12.2326 12.2326 12.4864 12.4864 12.6510 12.6510 12.8546 12.8546 12.9660 12.9660 13.0689 13.0689 13.3466 13.3466 13.5109 13.5109 13.7219 13.7219 14.2689 14.2689 15.0484 15.0484 15.3041 15.3041 17.4598 17.4598 17.6384 17.6384 17.9287 17.9287 19.3599 19.3599 k = 0.1624 0.2813-0.0000 ( 3285 PWs) bands (ev): -19.7004 -19.7004 -2.6115 -2.6115 -1.5259 -1.5259 -1.4642 -1.4642 5.7297 5.7297 8.2124 8.2124 8.5311 8.5311 8.9807 8.9807 9.0567 9.0567 9.2300 9.2300 9.3464 9.3464 9.5497 9.5497 9.6063 9.6063 9.8770 9.8770 10.0027 10.0027 10.3263 10.3263 10.7306 10.7306 11.5041 11.5041 11.8689 11.8689 12.0399 12.0399 12.2353 12.2353 12.4933 12.4933 12.6531 12.6531 12.8743 12.8743 12.9846 12.9846 13.0899 13.0899 13.3973 13.3973 13.5796 13.5796 13.7391 13.7391 14.3187 14.3187 15.0657 15.0657 15.3846 15.3846 17.3731 17.3731 17.6281 17.6281 17.8930 17.8930 19.3478 19.3478 k = 0.1538 0.2665-0.0000 ( 3287 PWs) bands (ev): -19.7005 -19.7005 -2.6108 -2.6108 -1.5243 -1.5243 -1.4637 -1.4637 5.6692 5.6692 8.1681 8.1681 8.5948 8.5948 8.9743 8.9743 9.0458 9.0458 9.2196 9.2196 9.3228 9.3228 9.5310 9.5310 9.5870 9.5870 9.8935 9.8935 9.9715 9.9715 10.3554 10.3554 10.7340 10.7340 11.5124 11.5124 11.8826 11.8826 12.0451 12.0451 12.2365 12.2365 12.5007 12.5007 12.6534 12.6534 12.8907 12.8907 13.0053 13.0053 13.1088 13.1088 13.4567 13.4567 13.6515 13.6515 13.7609 13.7609 14.3703 14.3703 15.0778 15.0778 15.4734 15.4734 17.2842 17.2842 17.6164 17.6164 17.8569 17.8569 19.3270 19.3270 k = 0.1453 0.2517-0.0000 ( 3285 PWs) bands (ev): -19.7005 -19.7005 -2.6101 -2.6101 -1.5226 -1.5226 -1.4632 -1.4632 5.6109 5.6109 8.1246 8.1246 8.6553 8.6553 8.9685 8.9685 9.0351 9.0351 9.2044 9.2044 9.3057 9.3057 9.4951 9.4951 9.5844 9.5844 9.9086 9.9086 9.9419 9.9419 10.3873 10.3873 10.7379 10.7379 11.5198 11.5198 11.8871 11.8871 12.0547 12.0547 12.2360 12.2360 12.5075 12.5075 12.6530 12.6530 12.9049 12.9049 13.0267 13.0267 13.1256 13.1256 13.5234 13.5234 13.7148 13.7148 13.7990 13.7990 14.4234 14.4234 15.0872 15.0872 15.5676 15.5676 17.1933 17.1933 17.6023 17.6023 17.8215 17.8215 19.2971 19.2971 k = 0.1368 0.2369-0.0000 ( 3289 PWs) bands (ev): -19.7006 -19.7006 -2.6094 -2.6094 -1.5210 -1.5210 -1.4627 -1.4627 5.5551 5.5551 8.0822 8.0822 8.7118 8.7118 8.9635 8.9635 9.0250 9.0250 9.1845 9.1845 9.2955 9.2955 9.4547 9.4547 9.5871 9.5871 9.9035 9.9035 9.9335 9.9335 10.4202 10.4202 10.7420 10.7420 11.5266 11.5266 11.8839 11.8839 12.0681 12.0681 12.2344 12.2344 12.5125 12.5125 12.6527 12.6527 12.9182 12.9182 13.0476 13.0476 13.1406 13.1406 13.5952 13.5952 13.7529 13.7529 13.8697 13.8697 14.4781 14.4781 15.0952 15.0952 15.6658 15.6658 17.1004 17.1004 17.5845 17.5845 17.7879 17.7879 19.2573 19.2573 k = 0.1282 0.2221-0.0000 ( 3297 PWs) bands (ev): -19.7007 -19.7007 -2.6087 -2.6087 -1.5193 -1.5193 -1.4622 -1.4622 5.5019 5.5019 8.0411 8.0411 8.7633 8.7633 8.9595 8.9595 9.0154 9.0154 9.1614 9.1614 9.2908 9.2908 9.4148 9.4148 9.5913 9.5913 9.8772 9.8772 9.9473 9.9473 10.4531 10.4531 10.7463 10.7463 11.5329 11.5329 11.8752 11.8752 12.0835 12.0835 12.2321 12.2321 12.5153 12.5153 12.6530 12.6530 12.9310 12.9310 13.0673 13.0673 13.1542 13.1542 13.6686 13.6686 13.7790 13.7790 13.9612 13.9612 14.5341 14.5341 15.1027 15.1027 15.7668 15.7668 17.0057 17.0057 17.5621 17.5621 17.7573 17.7573 19.2052 19.2052 k = 0.1197 0.2073-0.0000 ( 3301 PWs) bands (ev): -19.7008 -19.7008 -2.6081 -2.6081 -1.5176 -1.5176 -1.4617 -1.4617 5.4513 5.4513 8.0016 8.0016 8.8082 8.8082 8.9570 8.9570 9.0065 9.0065 9.1372 9.1372 9.2886 9.2886 9.3790 9.3790 9.5959 9.5959 9.8508 9.8508 9.9621 9.9621 10.4853 10.4853 10.7504 10.7504 11.5388 11.5388 11.8631 11.8631 12.0991 12.0991 12.2298 12.2298 12.5157 12.5157 12.6541 12.6541 12.9439 12.9439 13.0857 13.0857 13.1666 13.1666 13.7330 13.7330 13.8135 13.8135 14.0615 14.0615 14.5913 14.5913 15.1101 15.1101 15.8696 15.8696 16.9093 16.9093 17.5345 17.5345 17.7305 17.7305 19.1358 19.1358 k = 0.1111 0.1925-0.0000 ( 3305 PWs) bands (ev): -19.7008 -19.7008 -2.6074 -2.6074 -1.5160 -1.5160 -1.4612 -1.4612 5.4037 5.4037 7.9638 7.9638 8.8447 8.8447 8.9565 8.9565 8.9990 8.9990 9.1132 9.1132 9.2824 9.2824 9.3540 9.3540 9.6009 9.6009 9.8261 9.8261 9.9758 9.9758 10.5164 10.5164 10.7545 10.7545 11.5444 11.5444 11.8491 11.8491 12.1141 12.1141 12.2278 12.2278 12.5139 12.5139 12.6557 12.6557 12.9568 12.9568 13.1025 13.1025 13.1781 13.1781 13.7707 13.7707 13.8757 13.8757 14.1665 14.1665 14.6495 14.6495 15.1180 15.1180 15.9734 15.9734 16.8113 16.8113 17.5025 17.5025 17.7071 17.7071 19.0415 19.0415 k = 0.1026 0.1776-0.0000 ( 3309 PWs) bands (ev): -19.7009 -19.7009 -2.6068 -2.6068 -1.5145 -1.5145 -1.4607 -1.4607 5.3590 5.3590 7.9281 7.9281 8.8708 8.8708 8.9579 8.9579 8.9939 8.9939 9.0902 9.0902 9.2633 9.2633 9.3489 9.3489 9.6060 9.6060 9.8033 9.8033 9.9880 9.9880 10.5459 10.5459 10.7583 10.7583 11.5500 11.5500 11.8339 11.8339 12.1278 12.1278 12.2265 12.2265 12.5103 12.5103 12.6577 12.6577 12.9696 12.9696 13.1179 13.1179 13.1887 13.1887 13.7905 13.7905 13.9570 13.9570 14.2739 14.2739 14.7085 14.7085 15.1267 15.1267 16.0771 16.0771 16.7119 16.7119 17.4678 17.4678 17.6861 17.6861 18.9201 18.9201 k = 0.0940 0.1628-0.0000 ( 3309 PWs) bands (ev): -19.7010 -19.7010 -2.6061 -2.6061 -1.5130 -1.5130 -1.4602 -1.4602 5.3175 5.3175 7.8945 7.8945 8.8860 8.8860 8.9588 8.9588 8.9940 8.9940 9.0689 9.0689 9.2352 9.2352 9.3599 9.3599 9.6114 9.6114 9.7825 9.7825 9.9986 9.9986 10.5735 10.5735 10.7619 10.7619 11.5555 11.5555 11.8180 11.8180 12.1398 12.1398 12.2262 12.2262 12.5055 12.5055 12.6597 12.6597 12.9822 12.9822 13.1317 13.1317 13.1986 13.1986 13.8044 13.8044 14.0447 14.0447 14.3818 14.3818 14.7680 14.7680 15.1368 15.1368 16.1791 16.1791 16.6119 16.6119 17.4328 17.4328 17.6656 17.6656 18.7812 18.7812 k = 0.0855 0.1480-0.0000 ( 3309 PWs) bands (ev): -19.7010 -19.7010 -2.6056 -2.6056 -1.5115 -1.5115 -1.4598 -1.4598 5.2792 5.2792 7.8633 7.8633 8.8927 8.8927 8.9559 8.9559 9.0000 9.0000 9.0499 9.0499 9.2053 9.2053 9.3793 9.3793 9.6172 9.6172 9.7635 9.7635 10.0073 10.0073 10.5988 10.5988 10.7654 10.7654 11.5612 11.5612 11.8019 11.8019 12.1501 12.1501 12.2270 12.2270 12.5000 12.5000 12.6617 12.6617 12.9944 12.9944 13.1441 13.1441 13.2078 13.2078 13.8159 13.8159 14.1348 14.1348 14.4885 14.4885 14.8278 14.8278 15.1488 15.1488 16.2768 16.2768 16.5127 16.5127 17.4003 17.4003 17.6438 17.6438 18.6366 18.6366 k = 0.0769 0.1332-0.0000 ( 3311 PWs) bands (ev): -19.7011 -19.7011 -2.6050 -2.6050 -1.5102 -1.5102 -1.4594 -1.4594 5.2442 5.2442 7.8345 7.8345 8.8945 8.8945 8.9500 8.9500 9.0072 9.0072 9.0342 9.0342 9.1766 9.1766 9.4031 9.4031 9.6234 9.6234 9.7464 9.7464 10.0142 10.0142 10.6217 10.6217 10.7688 10.7688 11.5671 11.5671 11.7858 11.7858 12.1585 12.1585 12.2288 12.2288 12.4941 12.4941 12.6635 12.6635 13.0061 13.0061 13.1551 13.1551 13.2165 13.2165 13.8258 13.8258 14.2253 14.2253 14.5919 14.5919 14.8877 14.8877 15.1634 15.1634 16.3498 16.3498 16.4334 16.4334 17.3733 17.3733 17.6185 17.6185 18.4941 18.4941 k = 0.0684 0.1184-0.0000 ( 3311 PWs) bands (ev): -19.7011 -19.7011 -2.6045 -2.6045 -1.5090 -1.5090 -1.4590 -1.4590 5.2126 5.2126 7.8084 7.8084 8.8936 8.8936 8.9429 8.9429 9.0088 9.0088 9.0260 9.0260 9.1504 9.1504 9.4287 9.4287 9.6302 9.6302 9.7312 9.7312 10.0192 10.0192 10.6417 10.6417 10.7723 10.7723 11.5733 11.5733 11.7697 11.7697 12.1652 12.1652 12.2315 12.2315 12.4883 12.4883 12.6650 12.6650 13.0170 13.0170 13.1647 13.1647 13.2245 13.2245 13.8345 13.8345 14.3148 14.3148 14.6901 14.6901 14.9473 14.9473 15.1813 15.1813 16.2897 16.2897 16.4809 16.4809 17.3551 17.3551 17.5875 17.5875 18.3585 18.3585 k = 0.0598 0.1036-0.0000 ( 3321 PWs) bands (ev): -19.7012 -19.7012 -2.6041 -2.6041 -1.5079 -1.5079 -1.4586 -1.4586 5.1845 5.1845 7.7851 7.7851 8.8914 8.8914 8.9355 8.9355 9.0011 9.0011 9.0277 9.0277 9.1270 9.1270 9.4542 9.4542 9.6379 9.6379 9.7178 9.7178 10.0225 10.0225 10.6587 10.6587 10.7760 10.7760 11.5801 11.5801 11.7539 11.7539 12.1704 12.1704 12.2348 12.2348 12.4826 12.4826 12.6662 12.6662 13.0270 13.0270 13.1730 13.1730 13.2318 13.2318 13.8422 13.8422 14.4015 14.4015 14.7812 14.7812 15.0063 15.0063 15.2030 15.2030 16.1904 16.1904 16.5596 16.5596 17.3491 17.3491 17.5481 17.5481 18.2338 18.2338 k = 0.0513 0.0888-0.0000 ( 3321 PWs) bands (ev): -19.7012 -19.7012 -2.6036 -2.6036 -1.5070 -1.5070 -1.4582 -1.4582 5.1601 5.1601 7.7646 7.7646 8.8883 8.8883 8.9285 8.9285 8.9924 8.9924 9.0307 9.0307 9.1069 9.1069 9.4779 9.4779 9.6466 9.6466 9.7063 9.7063 10.0241 10.0241 10.6725 10.6725 10.7801 10.7801 11.5873 11.5873 11.7385 11.7385 12.1744 12.1744 12.2385 12.2385 12.4774 12.4774 12.6671 12.6671 13.0359 13.0359 13.1801 13.1801 13.2384 13.2384 13.8489 13.8489 14.4832 14.4832 14.8639 14.8639 15.0642 15.0642 15.2287 15.2287 16.0887 16.0887 16.6321 16.6321 17.3580 17.3580 17.4981 17.4981 18.1226 18.1226 k = 0.0427 0.0740-0.0000 ( 3327 PWs) bands (ev): -19.7012 -19.7012 -2.6033 -2.6033 -1.5061 -1.5061 -1.4579 -1.4579 5.1392 5.1392 7.7472 7.7472 8.8849 8.8849 8.9221 8.9221 8.9851 8.9851 9.0325 9.0325 9.0904 9.0904 9.4984 9.4984 9.6562 9.6562 9.6965 9.6965 10.0244 10.0244 10.6831 10.6831 10.7845 10.7845 11.5951 11.5951 11.7235 11.7235 12.1775 12.1775 12.2421 12.2421 12.4728 12.4728 12.6678 12.6678 13.0436 13.0436 13.1859 13.1859 13.2442 13.2442 13.8545 13.8545 14.5572 14.5572 14.9387 14.9387 15.1197 15.1197 15.2578 15.2578 15.9876 15.9876 16.6961 16.6961 17.3824 17.3824 17.4375 17.4375 18.0265 18.0265 k = 0.0342 0.0592-0.0000 ( 3331 PWs) bands (ev): -19.7013 -19.7013 -2.6030 -2.6030 -1.5055 -1.5055 -1.4577 -1.4577 5.1221 5.1221 7.7328 7.7328 8.8813 8.8813 8.9169 8.9169 8.9795 8.9795 9.0328 9.0328 9.0778 9.0778 9.5150 9.5150 9.6664 9.6664 9.6886 9.6886 10.0236 10.0236 10.6909 10.6909 10.7890 10.7890 11.6034 11.6034 11.7092 11.7092 12.1798 12.1798 12.2454 12.2454 12.4689 12.4689 12.6683 12.6683 13.0500 13.0500 13.1907 13.1907 13.2491 13.2491 13.8592 13.8592 14.6207 14.6207 15.0071 15.0071 15.1704 15.1704 15.2888 15.2888 15.8890 15.8890 16.7534 16.7534 17.3603 17.3603 17.4282 17.4282 17.9442 17.9442 k = 0.0256 0.0444-0.0000 ( 3335 PWs) bands (ev): -19.7013 -19.7013 -2.6028 -2.6028 -1.5049 -1.5049 -1.4575 -1.4575 5.1088 5.1088 7.7215 7.7215 8.8780 8.8780 8.9129 8.9129 8.9753 8.9753 9.0318 9.0318 9.0690 9.0690 9.5274 9.5274 9.6761 9.6761 9.6825 9.6825 10.0223 10.0223 10.6962 10.6962 10.7931 10.7931 11.6121 11.6121 11.6958 11.6958 12.1815 12.1815 12.2481 12.2481 12.4658 12.4658 12.6687 12.6687 13.0551 13.0551 13.1943 13.1943 13.2531 13.2531 13.8628 13.8628 14.6710 14.6710 15.0703 15.0703 15.2135 15.2135 15.3200 15.3200 15.7951 15.7951 16.8072 16.8072 17.2819 17.2819 17.4808 17.4808 17.8723 17.8723 k = 0.0171 0.0296-0.0000 ( 3339 PWs) bands (ev): -19.7013 -19.7013 -2.6026 -2.6026 -1.5045 -1.5045 -1.4573 -1.4573 5.0992 5.0992 7.7134 7.7134 8.8753 8.8753 8.9102 8.9102 8.9724 8.9724 9.0299 9.0299 9.0637 9.0637 9.5359 9.5359 9.6778 9.6778 9.6846 9.6846 10.0208 10.0208 10.6996 10.6996 10.7964 10.7964 11.6206 11.6206 11.6838 11.6838 12.1826 12.1826 12.2502 12.2502 12.4635 12.4635 12.6689 12.6689 13.0587 13.0587 13.1969 13.1969 13.2559 13.2559 13.8655 13.8655 14.7067 14.7067 15.1266 15.1266 15.2458 15.2458 15.3503 15.3503 15.7103 15.7103 16.8607 16.8607 17.2021 17.2021 17.5424 17.5424 17.8061 17.8061 k = 0.0085 0.0148-0.0000 ( 3339 PWs) bands (ev): -19.7013 -19.7013 -2.6025 -2.6025 -1.5043 -1.5043 -1.4572 -1.4572 5.0934 5.0934 7.7085 7.7085 8.8736 8.8736 8.9086 8.9086 8.9707 8.9707 9.0282 9.0282 9.0610 9.0610 9.5407 9.5407 9.6752 9.6752 9.6901 9.6901 10.0197 10.0197 10.7015 10.7015 10.7985 10.7985 11.6279 11.6279 11.6745 11.6745 12.1833 12.1833 12.2515 12.2515 12.4621 12.4621 12.6690 12.6690 13.0609 13.0609 13.1984 13.1984 13.2576 13.2576 13.8670 13.8670 14.7278 14.7278 15.1684 15.1684 15.2646 15.2646 15.3778 15.3778 15.6442 15.6442 16.9118 16.9118 17.1317 17.1317 17.6076 17.6076 17.7419 17.7419 k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -19.7013 -19.7013 -2.6025 -2.6025 -1.5042 -1.5042 -1.4572 -1.4572 5.0915 5.0915 7.7069 7.7069 8.8730 8.8730 8.9081 8.9081 8.9702 8.9702 9.0276 9.0276 9.0602 9.0602 9.5423 9.5423 9.6744 9.6744 9.6920 9.6920 10.0193 10.0193 10.7021 10.7021 10.7992 10.7992 11.6311 11.6311 11.6706 11.6706 12.1835 12.1835 12.2519 12.2519 12.4617 12.4617 12.6690 12.6690 13.0617 13.0617 13.1989 13.1989 13.2582 13.2582 13.8676 13.8676 14.7347 14.7347 15.1845 15.1845 15.2703 15.2703 15.3910 15.3910 15.6167 15.6167 16.9390 16.9390 17.0975 17.0975 17.6630 17.6630 17.6875 17.6875 k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -19.7013 -19.7013 -2.6025 -2.6025 -1.5042 -1.5042 -1.4572 -1.4572 5.0915 5.0915 7.7069 7.7069 8.8730 8.8730 8.9081 8.9081 8.9702 8.9702 9.0276 9.0276 9.0602 9.0602 9.5423 9.5423 9.6744 9.6744 9.6920 9.6920 10.0193 10.0193 10.7021 10.7021 10.7992 10.7992 11.6311 11.6311 11.6706 11.6706 12.1835 12.1835 12.2519 12.2519 12.4617 12.4617 12.6690 12.6690 13.0617 13.0617 13.1989 13.1989 13.2582 13.2582 13.8676 13.8676 14.7347 14.7347 15.1845 15.1845 15.2703 15.2703 15.3910 15.3910 15.6167 15.6167 16.9390 16.9390 17.0975 17.0975 17.6630 17.6630 17.6875 17.6875 k = 0.0000 0.0000 0.0172 ( 3347 PWs) bands (ev): -19.7013 -19.7013 -2.6025 -2.6025 -1.5042 -1.5042 -1.4574 -1.4574 5.0936 5.0936 7.7081 7.7081 8.8741 8.8741 8.8993 8.8993 8.9716 8.9716 9.0270 9.0270 9.0561 9.0561 9.5408 9.5408 9.6750 9.6750 9.6859 9.6859 10.0360 10.0360 10.7080 10.7080 10.8004 10.8004 11.6271 11.6271 11.6690 11.6690 12.1867 12.1867 12.2502 12.2502 12.4664 12.4664 12.6692 12.6692 13.0629 13.0629 13.2000 13.2000 13.2581 13.2581 13.8675 13.8675 14.7308 14.7308 15.1766 15.1766 15.2702 15.2702 15.3861 15.3861 15.6065 15.6065 16.9421 16.9421 17.0959 17.0959 17.6613 17.6613 17.6868 17.6868 k = 0.0000 0.0000 0.0344 ( 3347 PWs) bands (ev): -19.7013 -19.7013 -2.6027 -2.6027 -1.5042 -1.5042 -1.4579 -1.4579 5.0998 5.0998 7.7117 7.7117 8.8730 8.8730 8.8773 8.8773 8.9759 8.9759 9.0252 9.0252 9.0454 9.0454 9.5365 9.5365 9.6706 9.6706 9.6770 9.6770 10.0821 10.0821 10.7254 10.7254 10.8037 10.8037 11.6155 11.6155 11.6645 11.6645 12.1962 12.1962 12.2451 12.2451 12.4804 12.4804 12.6697 12.6697 13.0667 13.0667 13.2031 13.2031 13.2579 13.2579 13.8674 13.8674 14.7186 14.7186 15.1531 15.1531 15.2700 15.2700 15.3711 15.3711 15.5773 15.5773 16.9510 16.9510 17.0914 17.0914 17.6564 17.6564 17.6845 17.6845 k = 0.0000 0.0000 0.0515 ( 3335 PWs) bands (ev): -19.7013 -19.7013 -2.6030 -2.6030 -1.5042 -1.5042 -1.4589 -1.4589 5.1102 5.1102 7.7176 7.7176 8.8298 8.8298 8.8826 8.8826 8.9831 8.9831 9.0222 9.0222 9.0308 9.0308 9.5299 9.5299 9.6510 9.6510 9.6802 9.6802 10.1496 10.1496 10.7537 10.7537 10.8089 10.8089 11.5971 11.5971 11.6575 11.6575 12.2115 12.2115 12.2367 12.2367 12.5029 12.5029 12.6706 12.6706 13.0729 13.0729 13.2085 13.2085 13.2576 13.2576 13.8673 13.8673 14.6979 14.6979 15.1150 15.1150 15.2697 15.2697 15.3435 15.3435 15.5335 15.5335 16.9650 16.9650 17.0838 17.0838 17.6482 17.6482 17.6807 17.6807 k = 0.0000 0.0000 0.0687 ( 3323 PWs) bands (ev): -19.7012 -19.7012 -2.6035 -2.6035 -1.5042 -1.5042 -1.4601 -1.4601 5.1246 5.1246 7.7259 7.7259 8.7723 8.7723 8.8896 8.8896 8.9931 8.9931 9.0138 9.0138 9.0181 9.0181 9.5216 9.5216 9.6307 9.6307 9.6847 9.6847 10.2314 10.2314 10.7922 10.7922 10.8152 10.8152 11.5727 11.5727 11.6490 11.6490 12.2249 12.2249 12.2316 12.2316 12.5328 12.5328 12.6718 12.6718 13.0816 13.0816 13.2164 13.2164 13.2570 13.2570 13.8673 13.8673 14.6678 14.6678 15.0634 15.0634 15.2691 15.2691 15.2988 15.2988 15.4832 15.4832 16.9826 16.9826 17.0732 17.0732 17.6367 17.6367 17.6750 17.6750 k = 0.0000 0.0000 0.0859 ( 3323 PWs) bands (ev): -19.7011 -19.7011 -2.6040 -2.6040 -1.5042 -1.5042 -1.4618 -1.4618 5.1431 5.1431 7.7365 7.7365 8.7043 8.7043 8.8976 8.8976 8.9946 8.9946 9.0059 9.0059 9.0130 9.0130 9.5126 9.5126 9.6114 9.6114 9.6904 9.6904 10.3228 10.3228 10.8221 10.8221 10.8402 10.8402 11.5437 11.5437 11.6396 11.6396 12.2100 12.2100 12.2557 12.2557 12.5690 12.5690 12.6734 12.6734 13.0926 13.0926 13.2269 13.2269 13.2563 13.2563 13.8675 13.8675 14.6273 14.6273 15.0001 15.0001 15.2312 15.2312 15.2683 15.2683 15.4363 15.4363 17.0024 17.0024 17.0594 17.0594 17.6218 17.6218 17.6673 17.6673 k = 0.0000 0.0000 0.1031 ( 3329 PWs) bands (ev): -19.7010 -19.7010 -2.6047 -2.6047 -1.5042 -1.5042 -1.4638 -1.4638 5.1656 5.1656 7.7495 7.7495 8.6291 8.6291 8.9055 8.9055 8.9728 8.9728 9.0079 9.0079 9.0215 9.0215 9.5037 9.5037 9.5941 9.5941 9.6973 9.6973 10.4200 10.4200 10.8287 10.8287 10.8969 10.8969 11.5110 11.5110 11.6301 11.6301 12.1919 12.1919 12.2831 12.2831 12.6102 12.6102 12.6753 12.6753 13.1057 13.1057 13.2406 13.2406 13.2554 13.2554 13.8680 13.8680 14.5753 14.5753 14.9266 14.9266 15.1403 15.1403 15.2674 15.2674 15.3977 15.3977 17.0230 17.0230 17.0426 17.0426 17.6036 17.6036 17.6572 17.6572 k = 0.0000 0.0000 0.1202 ( 3317 PWs) bands (ev): -19.7009 -19.7009 -2.6054 -2.6054 -1.5042 -1.5042 -1.4660 -1.4660 5.1921 5.1921 7.7648 7.7648 8.5495 8.5495 8.9107 8.9107 8.9481 8.9481 9.0049 9.0049 9.0398 9.0398 9.4961 9.4961 9.5794 9.5794 9.7054 9.7054 10.5202 10.5202 10.8343 10.8343 10.9620 10.9620 11.4756 11.4756 11.6210 11.6210 12.1709 12.1709 12.3127 12.3127 12.6556 12.6556 12.6776 12.6776 13.1207 13.1207 13.2543 13.2543 13.2579 13.2579 13.8691 13.8691 14.5105 14.5105 14.8444 14.8444 15.0319 15.0319 15.2662 15.2662 15.3665 15.3665 17.0227 17.0227 17.0429 17.0429 17.5821 17.5821 17.6443 17.6443 k = 0.0000 0.0000 0.1374 ( 3317 PWs) bands (ev): -19.7008 -19.7008 -2.6063 -2.6063 -1.5042 -1.5042 -1.4686 -1.4686 5.2224 5.2224 7.7823 7.7823 8.4675 8.4675 8.9097 8.9097 8.9205 8.9205 9.0072 9.0072 9.0608 9.0608 9.4905 9.4905 9.5677 9.5677 9.7146 9.7146 10.6209 10.6209 10.8383 10.8383 11.0353 11.0353 11.4381 11.4381 11.6127 11.6127 12.1472 12.1472 12.3441 12.3441 12.6801 12.6801 12.7041 12.7041 13.1373 13.1373 13.2530 13.2530 13.2794 13.2794 13.8710 13.8710 14.4317 14.4317 14.7552 14.7552 14.9127 14.9127 15.2647 15.2647 15.3405 15.3405 16.9997 16.9997 17.0608 17.0608 17.5572 17.5572 17.6283 17.6283 k = 0.0000 0.0000 0.1546 ( 3317 PWs) bands (ev): -19.7007 -19.7007 -2.6073 -2.6073 -1.5041 -1.5041 -1.4715 -1.4715 5.2566 5.2566 7.8021 7.8021 8.3844 8.3844 8.8902 8.8902 8.9003 8.9003 9.0170 9.0170 9.0843 9.0843 9.4875 9.4875 9.5591 9.5591 9.7249 9.7249 10.7199 10.7199 10.8404 10.8404 11.1171 11.1171 11.3992 11.3992 11.6053 11.6053 12.1209 12.1209 12.3766 12.3766 12.6830 12.6830 12.7550 12.7550 13.1552 13.1552 13.2514 13.2514 13.3054 13.3054 13.8739 13.8739 14.3376 14.3376 14.6601 14.6601 14.7885 14.7885 15.2628 15.2628 15.3185 15.3185 16.9735 16.9735 17.0758 17.0758 17.5290 17.5290 17.6089 17.6089 k = 0.0000 0.0000 0.1718 ( 3317 PWs) bands (ev): -19.7005 -19.7005 -2.6083 -2.6083 -1.5041 -1.5041 -1.4746 -1.4746 5.2944 5.2944 7.8241 7.8241 8.3015 8.3015 8.8573 8.8573 8.8832 8.8832 9.0336 9.0336 9.1105 9.1105 9.4877 9.4877 9.5536 9.5536 9.7362 9.7362 10.8154 10.8154 10.8402 10.8402 11.2075 11.2075 11.3593 11.3593 11.5986 11.5986 12.0923 12.0923 12.4097 12.4097 12.6862 12.6862 12.8075 12.8075 13.1740 13.1740 13.2496 13.2496 13.3365 13.3365 13.8780 13.8780 14.2278 14.2278 14.5604 14.5604 14.6633 14.6633 15.2606 15.2606 15.2997 15.2997 16.9441 16.9441 17.0870 17.0870 17.4974 17.4974 17.5860 17.5860 k = 0.0000 0.0000 0.1889 ( 3323 PWs) bands (ev): -19.7004 -19.7004 -2.6095 -2.6095 -1.5041 -1.5041 -1.4779 -1.4779 5.3358 5.3358 7.8483 7.8483 8.2193 8.2193 8.8224 8.8224 8.8602 8.8602 9.0552 9.0552 9.1390 9.1390 9.4911 9.4911 9.5511 9.5511 9.7485 9.7485 10.8377 10.8377 10.9061 10.9061 11.3063 11.3063 11.3188 11.3188 11.5925 11.5925 12.0616 12.0616 12.4430 12.4430 12.6897 12.6897 12.8609 12.8609 13.1935 13.1935 13.2476 13.2476 13.3730 13.3730 13.8838 13.8838 14.1028 14.1028 14.4574 14.4574 14.5400 14.5400 15.2579 15.2579 15.2838 15.2838 16.9116 16.9116 17.0940 17.0940 17.4625 17.4625 17.5594 17.5594 k = 0.0000 0.0000 0.2061 ( 3323 PWs) bands (ev): -19.7002 -19.7002 -2.6107 -2.6107 -1.5041 -1.5041 -1.4814 -1.4814 5.3806 5.3806 7.8746 7.8746 8.1384 8.1384 8.7858 8.7858 8.8332 8.8332 9.0804 9.0804 9.1699 9.1699 9.4980 9.4980 9.5514 9.5514 9.7618 9.7618 10.8331 10.8331 10.9913 10.9913 11.2778 11.2778 11.4129 11.4129 11.5866 11.5866 12.0292 12.0292 12.4760 12.4760 12.6935 12.6935 12.9140 12.9140 13.2134 13.2134 13.2453 13.2453 13.4149 13.4149 13.8915 13.8915 13.9649 13.9649 14.3522 14.3522 14.4194 14.4194 15.2547 15.2547 15.2702 15.2702 16.8759 16.8759 17.0964 17.0964 17.4243 17.4243 17.5293 17.5293 k = 0.0000 0.0000 0.2233 ( 3311 PWs) bands (ev): -19.7001 -19.7001 -2.6120 -2.6120 -1.5041 -1.5041 -1.4851 -1.4851 5.4287 5.4287 7.9030 7.9030 8.0594 8.0594 8.7482 8.7482 8.8033 8.8033 9.1084 9.1084 9.2029 9.2029 9.5081 9.5081 9.5542 9.5542 9.7759 9.7759 10.8266 10.8266 11.0711 11.0711 11.2367 11.2367 11.5263 11.5263 11.5806 11.5806 11.9954 11.9954 12.5084 12.5084 12.6974 12.6974 12.9655 12.9655 13.2333 13.2333 13.2428 13.2428 13.4622 13.4622 13.8179 13.8179 13.9015 13.9015 14.2460 14.2460 14.3014 14.3014 15.2509 15.2509 15.2588 15.2588 16.8369 16.8369 17.0939 17.0939 17.3828 17.3828 17.4957 17.4957 k = 0.0000 0.0000 0.2405 ( 3305 PWs) bands (ev): -19.6999 -19.6999 -2.6133 -2.6133 -1.5041 -1.5041 -1.4890 -1.4890 5.4799 5.4799 7.9334 7.9334 7.9825 7.9825 8.7100 8.7100 8.7712 8.7712 9.1386 9.1386 9.2380 9.2380 9.5213 9.5213 9.5593 9.5593 9.7908 9.7908 10.8185 10.8185 11.1457 11.1457 11.1955 11.1955 11.5740 11.5740 11.6450 11.6450 11.9605 11.9605 12.5398 12.5398 12.7015 12.7015 13.0123 13.0123 13.2401 13.2401 13.2526 13.2526 13.5146 13.5146 13.6673 13.6673 13.9142 13.9142 14.1402 14.1402 14.1851 14.1851 15.2464 15.2464 15.2491 15.2491 16.7948 16.7948 17.0867 17.0867 17.3381 17.3381 17.4590 17.4590 k = 0.0000 0.0000 0.2576 ( 3305 PWs) bands (ev): -19.6997 -19.6997 -2.6147 -2.6147 -1.5040 -1.5040 -1.4929 -1.4929 5.5340 5.5340 7.9080 7.9080 7.9658 7.9658 8.6715 8.6715 8.7378 8.7378 9.1708 9.1708 9.2749 9.2749 9.5374 9.5374 9.5663 9.5663 9.8067 9.8067 10.8093 10.8093 11.1543 11.1543 11.2154 11.2154 11.5667 11.5667 11.7677 11.7677 11.9249 11.9249 12.5701 12.5701 12.7058 12.7058 13.0468 13.0468 13.2374 13.2374 13.2700 13.2700 13.5230 13.5230 13.5716 13.5716 13.9297 13.9297 14.0370 14.0370 14.0699 14.0699 15.2408 15.2408 15.2412 15.2412 16.7495 16.7495 17.0747 17.0747 17.2903 17.2903 17.4193 17.4193 k = 0.0000 0.0000 0.2748 ( 3305 PWs) bands (ev): -19.6995 -19.6995 -2.6162 -2.6162 -1.5040 -1.5040 -1.4969 -1.4969 5.5908 5.5908 7.8360 7.8360 8.0001 8.0001 8.6331 8.6331 8.7036 8.7036 9.2045 9.2045 9.3134 9.3134 9.5561 9.5561 9.5749 9.5749 9.8233 9.8233 10.7994 10.7994 11.1130 11.1130 11.2807 11.2807 11.5583 11.5583 11.8890 11.8890 11.8933 11.8933 12.5988 12.5988 12.7100 12.7100 13.0482 13.0482 13.2346 13.2346 13.2835 13.2835 13.4080 13.4080 13.6323 13.6323 13.9398 13.9398 13.9486 13.9486 13.9552 13.9552 15.2339 15.2339 15.2352 15.2352 16.7010 16.7010 17.0579 17.0579 17.2396 17.2396 17.3771 17.3771 k = 0.0000 0.0000 0.2920 ( 3293 PWs) bands (ev): -19.6993 -19.6993 -2.6177 -2.6177 -1.5040 -1.5040 -1.5009 -1.5009 5.6501 5.6501 7.7669 7.7669 8.0363 8.0363 8.5953 8.5953 8.6690 8.6690 9.2394 9.2394 9.3532 9.3532 9.5771 9.5771 9.5849 9.5849 9.8409 9.8409 10.7892 10.7892 11.0717 11.0717 11.3418 11.3418 11.5489 11.5489 11.8532 11.8532 12.0206 12.0206 12.6260 12.6260 12.7142 12.7142 12.9816 12.9816 13.2319 13.2319 13.2893 13.2893 13.3587 13.3587 13.6928 13.6928 13.8409 13.8409 13.8563 13.8563 13.9712 13.9712 15.2280 15.2280 15.2282 15.2282 16.6494 16.6494 17.0365 17.0365 17.1865 17.1865 17.3327 17.3327 k = 0.0000 0.0000 0.3092 ( 3305 PWs) bands (ev): -19.6991 -19.6991 -2.6192 -2.6192 -1.5050 -1.5050 -1.5040 -1.5040 5.7114 5.7114 7.7007 7.7007 8.0742 8.0742 8.5583 8.5583 8.6346 8.6346 9.2752 9.2752 9.3941 9.3941 9.5961 9.5961 9.6003 9.6003 9.8593 9.8593 10.7790 10.7790 11.0304 11.0304 11.3986 11.3986 11.5384 11.5384 11.8180 11.8180 12.1488 12.1488 12.6513 12.6513 12.7183 12.7183 12.8533 12.8533 13.2295 13.2295 13.2810 13.2810 13.3697 13.3697 13.7257 13.7257 13.7269 13.7269 13.8201 13.8201 13.9976 13.9976 15.2202 15.2202 15.2229 15.2229 16.5948 16.5948 17.0102 17.0102 17.1316 17.1316 17.2866 17.2866 k = 0.0000 0.0000 0.3264 ( 3305 PWs) bands (ev): -19.6989 -19.6989 -2.6207 -2.6207 -1.5090 -1.5090 -1.5039 -1.5039 5.7746 5.7746 7.6376 7.6376 8.1139 8.1139 8.5222 8.5222 8.6007 8.6007 9.3117 9.3117 9.4355 9.4355 9.6081 9.6081 9.6254 9.6254 9.8789 9.8789 10.7693 10.7693 10.9889 10.9889 11.4513 11.4513 11.5270 11.5270 11.7839 11.7839 12.2770 12.2770 12.6747 12.6747 12.6988 12.6988 12.7221 12.7221 13.2275 13.2275 13.2515 13.2515 13.4062 13.4062 13.6140 13.6140 13.6995 13.6995 13.8698 13.8698 14.0283 14.0283 15.2110 15.2110 15.2186 15.2186 16.5372 16.5372 16.9780 16.9780 17.0763 17.0763 17.2391 17.2391 k = 0.0000 0.0000 0.3435 ( 3299 PWs) bands (ev): -19.6987 -19.6987 -2.6222 -2.6222 -1.5130 -1.5130 -1.5039 -1.5039 5.8392 5.8392 7.5776 7.5776 8.1551 8.1551 8.4875 8.4875 8.5676 8.5676 9.3485 9.3485 9.4770 9.4770 9.6209 9.6209 9.6521 9.6521 9.8996 9.8996 10.7604 10.7604 10.9471 10.9471 11.4999 11.4999 11.5149 11.5149 11.7513 11.7513 12.4042 12.4042 12.5357 12.5357 12.6961 12.6961 12.7256 12.7256 13.1971 13.1971 13.2262 13.2262 13.4456 13.4456 13.5081 13.5081 13.6787 13.6787 13.9444 13.9444 14.0633 14.0633 15.2006 15.2006 15.2150 15.2150 16.4767 16.4767 16.9379 16.9379 17.0234 17.0234 17.1908 17.1908 k = 0.0000 0.0000 0.3607 ( 3275 PWs) bands (ev): -19.6985 -19.6985 -2.6236 -2.6236 -1.5169 -1.5169 -1.5039 -1.5039 5.9048 5.9048 7.5209 7.5209 8.1979 8.1979 8.4541 8.4541 8.5355 8.5355 9.3852 9.3852 9.5180 9.5180 9.6341 9.6341 9.6801 9.6801 9.9218 9.9218 10.7526 10.7526 10.9051 10.9051 11.5024 11.5024 11.5444 11.5444 11.7206 11.7206 12.3706 12.3706 12.5296 12.5296 12.7153 12.7153 12.7287 12.7287 13.1219 13.1219 13.2259 13.2259 13.3809 13.3809 13.5107 13.5107 13.6771 13.6771 14.0258 14.0258 14.1029 14.1029 15.1888 15.1888 15.2118 15.2118 16.4134 16.4134 16.8873 16.8873 16.9759 16.9759 17.1421 17.1421 k = 0.0000 0.0000 0.3779 ( 3287 PWs) bands (ev): -19.6984 -19.6984 -2.6251 -2.6251 -1.5207 -1.5207 -1.5039 -1.5039 5.9710 5.9710 7.4676 7.4676 8.2421 8.2421 8.4223 8.4223 8.5046 8.5046 9.4216 9.4216 9.5578 9.5578 9.6476 9.6476 9.7091 9.7091 9.9458 9.9458 10.7462 10.7462 10.8627 10.8627 11.4900 11.4900 11.5848 11.5848 11.6923 11.6923 12.2068 12.2068 12.6517 12.6517 12.7320 12.7320 12.7321 12.7321 13.0333 13.0333 13.2270 13.2270 13.2718 13.2718 13.5597 13.5597 13.6898 13.6898 14.1113 14.1113 14.1472 14.1472 15.1756 15.1756 15.2092 15.2092 16.3474 16.3474 16.8266 16.8266 16.9342 16.9342 17.0934 17.0934 k = 0.0000 0.0000 0.3951 ( 3287 PWs) bands (ev): -19.6982 -19.6982 -2.6265 -2.6265 -1.5244 -1.5244 -1.5039 -1.5039 6.0373 6.0373 7.4177 7.4177 8.2876 8.2876 8.3923 8.3923 8.4753 8.4753 9.4573 9.4573 9.5958 9.5958 9.6611 9.6611 9.7388 9.7388 9.9718 9.9718 10.7413 10.7413 10.8198 10.8198 11.4782 11.4782 11.6212 11.6212 11.6668 11.6668 12.0465 12.0465 12.7301 12.7301 12.7454 12.7454 12.7740 12.7740 12.9388 12.9388 13.1624 13.1624 13.2305 13.2305 13.6102 13.6102 13.7111 13.7111 14.1960 14.1960 14.1998 14.1998 15.1608 15.1608 15.2069 15.2069 16.2788 16.2789 16.7586 16.7586 16.8960 16.8960 17.0452 17.0452 k = 0.0000 0.0000 0.4122 ( 3275 PWs) bands (ev): -19.6980 -19.6980 -2.6279 -2.6279 -1.5278 -1.5278 -1.5038 -1.5038 6.1031 6.1031 7.3712 7.3712 8.3342 8.3342 8.3641 8.3641 8.4476 8.4476 9.4920 9.4920 9.6311 9.6311 9.6746 9.6746 9.7686 9.7686 10.0002 10.0002 10.7382 10.7382 10.7764 10.7764 11.4675 11.4675 11.6439 11.6439 11.6538 11.6538 11.8914 11.8914 12.7332 12.7332 12.7485 12.7485 12.8487 12.8487 12.8843 12.8843 13.0545 13.0545 13.2380 13.2380 13.6600 13.6600 13.7374 13.7374 14.2495 14.2495 14.2909 14.2909 15.1445 15.1445 15.2049 15.2049 16.2080 16.2080 16.6856 16.6856 16.8599 16.8599 16.9980 16.9980 k = 0.0000 0.0000 0.4294 ( 3275 PWs) bands (ev): -19.6978 -19.6978 -2.6292 -2.6292 -1.5311 -1.5311 -1.5038 -1.5038 6.1677 6.1677 7.3283 7.3283 8.3379 8.3379 8.3817 8.3817 8.4217 8.4217 9.5255 9.5255 9.6630 9.6630 9.6877 9.6877 9.7982 9.7982 10.0311 10.0311 10.7326 10.7326 10.7369 10.7369 11.4588 11.4588 11.6214 11.6214 11.6825 11.6825 11.7455 11.7455 12.7034 12.7034 12.7343 12.7343 12.8037 12.8037 12.9488 12.9488 12.9852 12.9852 13.2532 13.2532 13.7081 13.7081 13.7661 13.7661 14.3074 14.3074 14.3839 14.3839 15.1266 15.1266 15.2032 15.2032 16.1349 16.1349 16.6089 16.6089 16.8251 16.8251 16.9521 16.9521 k = 0.0000 0.0000 0.4466 ( 3269 PWs) bands (ev): -19.6977 -19.6977 -2.6304 -2.6304 -1.5342 -1.5342 -1.5038 -1.5038 6.2306 6.2306 7.2890 7.2890 8.3137 8.3137 8.3976 8.3976 8.4299 8.4299 9.5573 9.5573 9.6909 9.6909 9.7004 9.7004 9.8271 9.8271 10.0645 10.0645 10.6886 10.6886 10.7373 10.7373 11.4527 11.4527 11.5693 11.5693 11.6403 11.6403 11.7078 11.7078 12.6115 12.6115 12.7346 12.7346 12.8040 12.8040 12.8457 12.8457 13.0668 13.0668 13.2839 13.2839 13.7541 13.7541 13.7958 13.7958 14.3694 14.3694 14.4785 14.4785 15.1072 15.1072 15.2017 15.2017 16.0599 16.0599 16.5294 16.5294 16.7917 16.7917 16.9081 16.9081 k = 0.0000 0.0000 0.4638 ( 3263 PWs) bands (ev): -19.6975 -19.6975 -2.6316 -2.6316 -1.5371 -1.5371 -1.5038 -1.5038 6.2909 6.2909 7.2533 7.2533 8.2915 8.2915 8.3756 8.3756 8.4784 8.4784 9.5872 9.5872 9.7125 9.7125 9.7144 9.7144 9.8547 9.8547 10.1001 10.1001 10.6447 10.6447 10.7394 10.7394 11.4487 11.4487 11.4501 11.4501 11.6161 11.6161 11.7296 11.7296 12.5121 12.5121 12.7345 12.7345 12.7460 12.7460 12.8113 12.8113 13.1199 13.1199 13.3384 13.3384 13.7974 13.7974 13.8252 13.8252 14.4353 14.4353 14.5742 14.5742 15.0864 15.0864 15.2005 15.2005 15.9831 15.9831 16.4475 16.4475 16.7598 16.7598 16.8665 16.8665 k = 0.0000 0.0000 0.4809 ( 3263 PWs) bands (ev): -19.6974 -19.6974 -2.6326 -2.6326 -1.5397 -1.5397 -1.5038 -1.5038 6.3480 6.3480 7.2213 7.2213 8.2716 8.2716 8.3557 8.3557 8.5268 8.5268 9.6150 9.6150 9.7238 9.7238 9.7332 9.7332 9.8805 9.8805 10.1373 10.1373 10.6017 10.6017 10.7428 10.7428 11.3242 11.3242 11.4520 11.4520 11.6093 11.6093 11.7484 11.7484 12.4126 12.4126 12.6502 12.6502 12.7339 12.7339 12.8192 12.8192 13.1480 13.1480 13.4121 13.4121 13.8376 13.8376 13.8535 13.8535 14.5045 14.5045 14.6703 14.6703 15.0645 15.0645 15.1995 15.1995 15.9049 15.9049 16.3639 16.3639 16.7299 16.7299 16.8276 16.8276 k = 0.0000 0.0000 0.4981 ( 3275 PWs) bands (ev): -19.6973 -19.6973 -2.6336 -2.6336 -1.5421 -1.5421 -1.5038 -1.5038 6.4009 6.4009 7.1929 7.1929 8.2539 8.2539 8.3379 8.3379 8.5743 8.5743 9.6403 9.6403 9.7341 9.7341 9.7474 9.7474 9.9041 9.9041 10.1749 10.1749 10.5608 10.5608 10.7472 10.7472 11.2076 11.2076 11.4591 11.4591 11.6091 11.6091 11.7642 11.7642 12.3148 12.3148 12.5591 12.5591 12.7331 12.7331 12.8265 12.8265 13.1625 13.1625 13.4927 13.4927 13.8744 13.8744 13.8801 13.8801 14.5765 14.5765 14.7663 14.7663 15.0420 15.0420 15.1986 15.1986 15.8256 15.8256 16.2791 16.2791 16.7022 16.7022 16.7920 16.7920 k = 0.0000 0.0000 0.5153 ( 3274 PWs) bands (ev): -19.6972 -19.6972 -2.6344 -2.6344 -1.5441 -1.5441 -1.5038 -1.5038 6.4489 6.4489 7.1683 7.1683 8.2384 8.2384 8.3224 8.3224 8.6202 8.6202 9.6630 9.6630 9.7433 9.7433 9.7571 9.7571 9.9251 9.9251 10.2109 10.2109 10.5242 10.5242 10.7522 10.7522 11.1010 11.1010 11.4725 11.4725 11.6141 11.6141 11.7774 11.7774 12.2198 12.2198 12.4735 12.4735 12.7321 12.7321 12.8329 12.8329 13.1708 13.1708 13.5715 13.5715 13.9043 13.9043 13.9072 13.9072 14.6503 14.6503 14.8614 14.8614 15.0196 15.0196 15.1979 15.1979 15.7456 15.7456 16.1939 16.1939 16.6773 16.6773 16.7600 16.7600 k = 0.0000 0.0000 0.5325 ( 3286 PWs) bands (ev): -19.6971 -19.6971 -2.6352 -2.6352 -1.5459 -1.5459 -1.5037 -1.5037 6.4912 6.4912 7.1475 7.1475 8.2253 8.2253 8.3092 8.3092 8.6633 8.6633 9.6827 9.6827 9.7514 9.7514 9.7627 9.7627 9.9432 9.9432 10.2425 10.2425 10.4955 10.4955 10.7572 10.7572 11.0049 11.0049 11.4926 11.4926 11.6235 11.6235 11.7881 11.7881 12.1284 12.1284 12.3948 12.3948 12.7310 12.7310 12.8384 12.8384 13.1760 13.1760 13.6442 13.6442 13.9257 13.9257 13.9357 13.9357 14.7246 14.7246 14.9544 14.9544 14.9985 14.9985 15.1973 15.1973 15.6656 15.6656 16.1093 16.1093 16.6554 16.6554 16.7321 16.7321 k = 0.0000 0.0000 0.5496 ( 3286 PWs) bands (ev): -19.6970 -19.6970 -2.6358 -2.6358 -1.5474 -1.5474 -1.5037 -1.5037 6.5270 6.5270 7.1304 7.1304 8.2145 8.2145 8.2984 8.2984 8.7024 8.7024 9.6992 9.6992 9.7582 9.7582 9.7646 9.7646 9.9582 9.9582 10.2654 10.2654 10.4798 10.4798 10.7618 10.7618 10.9199 10.9199 11.5198 11.5198 11.6362 11.6362 11.7965 11.7965 12.0414 12.0414 12.3244 12.3244 12.7300 12.7300 12.8429 12.8429 13.1795 13.1795 13.7078 13.7078 13.9438 13.9438 13.9596 13.9596 14.7968 14.7968 14.9812 14.9812 15.0436 15.0436 15.1969 15.1969 15.5866 15.5866 16.0270 16.0270 16.6370 16.6370 16.7087 16.7087 k = 0.0000 0.0000 0.5668 ( 3286 PWs) bands (ev): -19.6970 -19.6970 -2.6362 -2.6362 -1.5485 -1.5485 -1.5037 -1.5037 6.5556 6.5556 7.1171 7.1171 8.2061 8.2061 8.2899 8.2899 8.7356 8.7356 9.7123 9.7123 9.7635 9.7635 9.7639 9.7639 9.9699 9.9699 10.2762 10.2762 10.4811 10.4811 10.7656 10.7656 10.8463 10.8463 11.5538 11.5538 11.6506 11.6506 11.8029 11.8029 11.9601 11.9601 12.2645 12.2645 12.7292 12.7292 12.8463 12.8463 13.1819 13.1819 13.7602 13.7602 13.9582 13.9582 13.9786 13.9786 14.8598 14.8598 14.9737 14.9737 15.1261 15.1261 15.1965 15.1965 15.5105 15.5105 15.9500 15.9500 16.6223 16.6223 16.6902 16.6902 k = 0.0000 0.0000 0.5840 ( 3292 PWs) bands (ev): -19.6969 -19.6969 -2.6366 -2.6366 -1.5493 -1.5493 -1.5037 -1.5037 6.5765 6.5765 7.1075 7.1075 8.2001 8.2001 8.2838 8.2838 8.7611 8.7611 9.7218 9.7218 9.7618 9.7618 9.7674 9.7674 9.9783 9.9783 10.2771 10.2771 10.4966 10.4966 10.7685 10.7685 10.7855 10.7855 11.5933 11.5933 11.6644 11.6644 11.8074 11.8074 11.8866 11.8866 12.2179 12.2179 12.7285 12.7285 12.8488 12.8488 13.1834 13.1834 13.7993 13.7993 13.9687 13.9687 13.9923 13.9923 14.8956 14.8956 14.9912 14.9912 15.1963 15.1963 15.1969 15.1969 15.4412 15.4412 15.8831 15.8831 16.6116 16.6116 16.6767 16.6767 k = 0.0000 0.0000 0.6012 ( 3292 PWs) bands (ev): -19.6969 -19.6969 -2.6368 -2.6368 -1.5498 -1.5498 -1.5037 -1.5037 6.5893 6.5893 7.1018 7.1018 8.1965 8.1965 8.2801 8.2801 8.7773 8.7773 9.7276 9.7276 9.7598 9.7598 9.7697 9.7697 9.9834 9.9834 10.2743 10.2743 10.5162 10.5162 10.7419 10.7419 10.7702 10.7702 11.6328 11.6328 11.6746 11.6746 11.8100 11.8100 11.8264 11.8264 12.1879 12.1879 12.7281 12.7281 12.8503 12.8503 13.1843 13.1843 13.8235 13.8235 13.9751 13.9751 14.0006 14.0006 14.9028 14.9028 15.0278 15.0278 15.1961 15.1961 15.2473 15.2473 15.3874 15.3874 15.8351 15.8351 16.6052 16.6052 16.6685 16.6685 k = 0.0000 0.0000 0.6184 ( 3280 PWs) bands (ev): -19.6969 -19.6969 -2.6369 -2.6369 -1.5500 -1.5500 -1.5037 -1.5037 6.5936 6.5936 7.0999 7.0999 8.1953 8.1953 8.2789 8.2789 8.7828 8.7828 9.7295 9.7295 9.7590 9.7590 9.7705 9.7705 9.9851 9.9851 10.2728 10.2728 10.5256 10.5256 10.7251 10.7251 10.7708 10.7708 11.6535 11.6535 11.6784 11.6784 11.7988 11.7988 11.8109 11.8109 12.1775 12.1775 12.7279 12.7279 12.8508 12.8508 13.1846 13.1846 13.8317 13.8317 13.9773 13.9773 14.0034 14.0034 14.9030 14.9030 15.0460 15.0460 15.1961 15.1961 15.2661 15.2661 15.3655 15.3655 15.8171 15.8171 16.6030 16.6030 16.6658 16.6658 k = 0.0000 0.0000 0.6184 ( 3280 PWs) bands (ev): -19.6969 -19.6969 -2.6369 -2.6369 -1.5500 -1.5500 -1.5037 -1.5037 6.5936 6.5936 7.0999 7.0999 8.1953 8.1953 8.2789 8.2789 8.7828 8.7828 9.7295 9.7295 9.7590 9.7590 9.7705 9.7705 9.9851 9.9851 10.2728 10.2728 10.5256 10.5256 10.7251 10.7251 10.7708 10.7708 11.6535 11.6535 11.6784 11.6784 11.7988 11.7988 11.8109 11.8109 12.1775 12.1775 12.7279 12.7279 12.8508 12.8508 13.1846 13.1846 13.8317 13.8317 13.9773 13.9773 14.0034 14.0034 14.9030 14.9030 15.0460 15.0460 15.1961 15.1961 15.2661 15.2661 15.3655 15.3655 15.8171 15.8171 16.6030 16.6030 16.6658 16.6658 k = 0.0147 0.0085 0.6184 ( 3292 PWs) bands (ev): -19.6969 -19.6969 -2.6369 -2.6369 -1.5500 -1.5500 -1.5037 -1.5037 6.5954 6.5954 7.1008 7.1008 8.1959 8.1959 8.2796 8.2796 8.7843 8.7843 9.7294 9.7294 9.7595 9.7595 9.7707 9.7707 9.9844 9.9844 10.2719 10.2719 10.5240 10.5240 10.7173 10.7173 10.7770 10.7770 11.6540 11.6540 11.6762 11.6762 11.7899 11.7899 11.8233 11.8233 12.1802 12.1802 12.7264 12.7264 12.8493 12.8493 13.1821 13.1821 13.8288 13.8288 13.9757 13.9757 14.0021 14.0021 14.8926 14.8926 15.0460 15.0460 15.1903 15.1903 15.2665 15.2665 15.3695 15.3695 15.8206 15.8206 16.6077 16.6077 16.6700 16.6700 k = 0.0294 0.0170 0.6184 ( 3294 PWs) bands (ev): -19.6969 -19.6969 -2.6368 -2.6368 -1.5499 -1.5499 -1.5038 -1.5038 6.6010 6.6010 7.1034 7.1034 8.1978 8.1978 8.2816 8.2816 8.7888 8.7888 9.7289 9.7289 9.7612 9.7612 9.7714 9.7714 9.9825 9.9825 10.2692 10.2692 10.5193 10.5193 10.7004 10.7004 10.7894 10.7894 11.6538 11.6538 11.6723 11.6723 11.7794 11.7794 11.8433 11.8433 12.1881 12.1881 12.7216 12.7216 12.8447 12.8447 13.1746 13.1746 13.8200 13.8200 13.9713 13.9713 13.9986 13.9986 14.8631 14.8631 15.0440 15.0440 15.1736 15.1736 15.2682 15.2682 15.3810 15.3810 15.8308 15.8308 16.6205 16.6205 16.6836 16.6836 k = 0.0441 0.0255 0.6184 ( 3306 PWs) bands (ev): -19.6969 -19.6969 -2.6368 -2.6368 -1.5498 -1.5498 -1.5039 -1.5039 6.6103 6.6103 7.1077 7.1077 8.2009 8.2009 8.2850 8.2850 8.7961 8.7961 9.7277 9.7277 9.7639 9.7639 9.7728 9.7728 9.9792 9.9792 10.2648 10.2648 10.5115 10.5115 10.6798 10.6798 10.8026 10.8026 11.6485 11.6485 11.6732 11.6732 11.7704 11.7704 11.8654 11.8654 12.2013 12.2013 12.7133 12.7133 12.8375 12.8375 13.1621 13.1621 13.8053 13.8053 13.9644 13.9644 13.9932 13.9932 14.8179 14.8179 15.0358 15.0358 15.1490 15.1490 15.2716 15.2716 15.3990 15.3990 15.8472 15.8472 16.6383 16.6383 16.7084 16.7084 k = 0.0588 0.0340 0.6184 ( 3298 PWs) bands (ev): -19.6969 -19.6969 -2.6368 -2.6368 -1.5496 -1.5496 -1.5041 -1.5041 6.6233 6.6233 7.1138 7.1138 8.2052 8.2052 8.2898 8.2898 8.8062 8.8062 9.7256 9.7256 9.7672 9.7672 9.7757 9.7757 9.9744 9.9744 10.2591 10.2591 10.5007 10.5007 10.6575 10.6575 10.8150 10.8150 11.6392 11.6392 11.6791 11.6791 11.7627 11.7627 11.8883 11.8883 12.2195 12.2195 12.7012 12.7012 12.8278 12.8278 13.1449 13.1449 13.7851 13.7851 13.9555 13.9555 13.9867 13.9867 14.7598 14.7598 15.0148 15.0148 15.1233 15.1233 15.2757 15.2757 15.4227 15.4227 15.8693 15.8693 16.6585 16.6585 16.7453 16.7453 k = 0.0735 0.0425 0.6184 ( 3296 PWs) bands (ev): -19.6968 -19.6968 -2.6367 -2.6367 -1.5495 -1.5495 -1.5043 -1.5043 6.6398 6.6398 7.1215 7.1215 8.2106 8.2106 8.2960 8.2960 8.8190 8.8190 9.7224 9.7224 9.7704 9.7704 9.7810 9.7810 9.9679 9.9679 10.2524 10.2524 10.4870 10.4870 10.6340 10.6340 10.8263 10.8263 11.6293 11.6293 11.6861 11.6861 11.7575 11.7575 11.9108 11.9108 12.2424 12.2424 12.6849 12.6849 12.8161 12.8161 13.1232 13.1232 13.7599 13.7599 13.9449 13.9449 13.9798 13.9798 14.6911 14.6911 14.9758 14.9758 15.1035 15.1035 15.2794 15.2794 15.4514 15.4514 15.8961 15.8961 16.6807 16.6807 16.7928 16.7928 k = 0.0882 0.0509 0.6184 ( 3292 PWs) bands (ev): -19.6968 -19.6968 -2.6366 -2.6366 -1.5492 -1.5492 -1.5045 -1.5045 6.6600 6.6600 7.1310 7.1310 8.2170 8.2170 8.3038 8.3038 8.8342 8.8342 9.7179 9.7179 9.7732 9.7732 9.7887 9.7887 9.9598 9.9598 10.2450 10.2450 10.4707 10.4707 10.6100 10.6100 10.8365 10.8365 11.6203 11.6203 11.6900 11.6900 11.7577 11.7577 11.9320 11.9320 12.2695 12.2695 12.6638 12.6638 12.8025 12.8025 13.0975 13.0975 13.7306 13.7306 13.9331 13.9331 13.9729 13.9729 14.6136 14.6136 14.9206 14.9206 15.0900 15.0900 15.2814 15.2814 15.4843 15.4843 15.9269 15.9269 16.7053 16.7053 16.8484 16.8484 k = 0.1029 0.0594 0.6184 ( 3288 PWs) bands (ev): -19.6968 -19.6968 -2.6366 -2.6366 -1.5490 -1.5490 -1.5047 -1.5047 6.6836 6.6836 7.1421 7.1421 8.2243 8.2243 8.3130 8.3130 8.8516 8.8516 9.7121 9.7121 9.7762 9.7762 9.7986 9.7986 9.9498 9.9498 10.2374 10.2374 10.4520 10.4520 10.5857 10.5857 10.8458 10.8458 11.6126 11.6126 11.6875 11.6875 11.7666 11.7666 11.9515 11.9515 12.3000 12.3000 12.6379 12.6379 12.7870 12.7870 13.0685 13.0685 13.6982 13.6982 13.9207 13.9207 13.9663 13.9663 14.5291 14.5291 14.8542 14.8542 15.0793 15.0793 15.2810 15.2810 15.5207 15.5207 15.9609 15.9609 16.7326 16.7326 16.9102 16.9102 k = 0.1176 0.0679 0.6184 ( 3288 PWs) bands (ev): -19.6968 -19.6968 -2.6365 -2.6365 -1.5487 -1.5487 -1.5050 -1.5050 6.7106 6.7106 7.1549 7.1549 8.2326 8.2326 8.3237 8.3237 8.8709 8.8709 9.7049 9.7049 9.7795 9.7795 9.8101 9.8101 9.9383 9.9383 10.2297 10.2297 10.4313 10.4313 10.5617 10.5617 10.8543 10.8543 11.6059 11.6059 11.6789 11.6789 11.7832 11.7832 11.9692 11.9692 12.3332 12.3332 12.6069 12.6069 12.7693 12.7693 13.0373 13.0373 13.6639 13.6639 13.9080 13.9080 13.9600 13.9600 14.4391 14.4391 14.7805 14.7805 15.0694 15.0694 15.2779 15.2779 15.5593 15.5593 15.9975 15.9975 16.7628 16.7628 16.9764 16.9764 k = 0.1324 0.0764 0.6184 ( 3272 PWs) bands (ev): -19.6967 -19.6967 -2.6364 -2.6364 -1.5484 -1.5484 -1.5053 -1.5053 6.7409 6.7409 7.1693 7.1693 8.2418 8.2418 8.3360 8.3360 8.8916 8.8916 9.6964 9.6964 9.7828 9.7828 9.8231 9.8231 9.9255 9.9255 10.2222 10.2222 10.4091 10.4091 10.5385 10.5385 10.8624 10.8624 11.5998 11.5998 11.6668 11.6668 11.8051 11.8051 11.9850 11.9850 12.3679 12.3679 12.5708 12.5708 12.7485 12.7485 13.0053 13.0053 13.6286 13.6286 13.8956 13.8956 13.9537 13.9537 14.3455 14.3455 14.7017 14.7017 15.0591 15.0591 15.2718 15.2718 15.5991 15.5991 16.0364 16.0364 16.7958 16.7958 17.0456 17.0456 k = 0.1471 0.0849 0.6184 ( 3282 PWs) bands (ev): -19.6967 -19.6967 -2.6363 -2.6363 -1.5480 -1.5480 -1.5056 -1.5056 6.7743 6.7743 7.1853 7.1853 8.2519 8.2519 8.3496 8.3496 8.9133 8.9133 9.6866 9.6866 9.7857 9.7857 9.8370 9.8370 9.9125 9.9125 10.2147 10.2147 10.3860 10.3860 10.5167 10.5167 10.8702 10.8702 11.5936 11.5936 11.6533 11.6533 11.8300 11.8300 11.9989 11.9989 12.4026 12.4026 12.5302 12.5302 12.7241 12.7241 12.9742 12.9742 13.5933 13.5933 13.8836 13.8836 13.9470 13.9470 14.2503 14.2503 14.6196 14.6196 15.0478 15.0478 15.2632 15.2632 15.6387 15.6387 16.0773 16.0773 16.8315 16.8315 17.1169 17.1169 k = 0.1618 0.0934 0.6184 ( 3282 PWs) bands (ev): -19.6967 -19.6967 -2.6361 -2.6361 -1.5477 -1.5477 -1.5059 -1.5059 6.8107 6.8107 7.2029 7.2029 8.2629 8.2629 8.3646 8.3646 8.9353 8.9353 9.6757 9.6757 9.7875 9.7875 9.8506 9.8506 9.9017 9.9017 10.2070 10.2070 10.3627 10.3627 10.4968 10.4968 10.8777 10.8777 11.5857 11.5857 11.6401 11.6401 11.8565 11.8565 12.0112 12.0112 12.4321 12.4321 12.4888 12.4888 12.6956 12.6956 12.9460 12.9460 13.5587 13.5587 13.8720 13.8720 13.9387 13.9387 14.1566 14.1566 14.5354 14.5354 15.0350 15.0350 15.2522 15.2522 15.6768 15.6768 16.1203 16.1203 16.8695 16.8695 17.1894 17.1894 k = 0.1765 0.1019 0.6184 ( 3278 PWs) bands (ev): -19.6966 -19.6966 -2.6360 -2.6360 -1.5473 -1.5473 -1.5063 -1.5063 6.8499 6.8499 7.2220 7.2220 8.2750 8.2750 8.3808 8.3808 8.9570 8.9570 9.6639 9.6639 9.7863 9.7863 9.8609 9.8609 9.8980 9.8980 10.1986 10.1986 10.3401 10.3401 10.4792 10.4792 10.8852 10.8852 11.5744 11.5744 11.6292 11.6292 11.8835 11.8835 12.0217 12.0217 12.4162 12.4162 12.4850 12.4850 12.6637 12.6637 12.9219 12.9219 13.5255 13.5255 13.8596 13.8596 13.9258 13.9258 14.0700 14.0700 14.4503 14.4503 15.0204 15.0204 15.2395 15.2395 15.7119 15.7119 16.1657 16.1657 16.9095 16.9095 17.2624 17.2624 k = 0.1912 0.1104 0.6184 ( 3280 PWs) bands (ev): -19.6966 -19.6966 -2.6359 -2.6359 -1.5469 -1.5469 -1.5066 -1.5066 6.8916 6.8916 7.2426 7.2426 8.2882 8.2882 8.3980 8.3980 8.9776 8.9776 9.6514 9.6514 9.7804 9.7804 9.8651 9.8651 9.9066 9.9066 10.1888 10.1888 10.3192 10.3192 10.4646 10.4646 10.8926 10.8926 11.5585 11.5585 11.6215 11.6215 11.9098 11.9098 12.0306 12.0306 12.3600 12.3600 12.5110 12.5110 12.6310 12.6310 12.9026 12.9026 13.4940 13.4940 13.8407 13.8407 13.9020 13.9020 14.0035 14.0035 14.3658 14.3658 15.0035 15.0035 15.2255 15.2255 15.7428 15.7428 16.2136 16.2136 16.9514 16.9514 17.3352 17.3352 k = 0.2059 0.1189 0.6184 ( 3282 PWs) bands (ev): -19.6965 -19.6965 -2.6357 -2.6357 -1.5465 -1.5465 -1.5069 -1.5069 6.9357 6.9357 7.2645 7.2645 8.3026 8.3026 8.4162 8.4162 8.9958 8.9958 9.6389 9.6389 9.7687 9.7687 9.8686 9.8686 9.9230 9.9230 10.1773 10.1773 10.3009 10.3009 10.4532 10.4532 10.9002 10.9002 11.5383 11.5383 11.6166 11.6166 11.9342 11.9342 12.0375 12.0375 12.2932 12.2932 12.5305 12.5305 12.6049 12.6049 12.8882 12.8882 13.4647 13.4647 13.7966 13.7966 13.8758 13.8758 13.9676 13.9676 14.2839 14.2839 14.9839 14.9839 15.2109 15.2109 15.7684 15.7684 16.2644 16.2644 16.9947 16.9947 17.4074 17.4074 k = 0.2206 0.1274 0.6184 ( 3282 PWs) bands (ev): -19.6965 -19.6965 -2.6356 -2.6356 -1.5462 -1.5462 -1.5072 -1.5072 6.9817 6.9817 7.2879 7.2879 8.3184 8.3184 8.4351 8.4351 9.0108 9.0108 9.6268 9.6268 9.7526 9.7526 9.8754 9.8754 9.9426 9.9426 10.1641 10.1641 10.2857 10.2857 10.4454 10.4454 10.9079 10.9079 11.5148 11.5148 11.6133 11.6133 11.9554 11.9554 12.0417 12.0417 12.2187 12.2187 12.5265 12.5265 12.6011 12.6011 12.8790 12.8790 13.4375 13.4375 13.7265 13.7265 13.8631 13.8631 13.9463 13.9463 14.2078 14.2078 14.9612 14.9612 15.1964 15.1964 15.7879 15.7879 16.3182 16.3182 17.0391 17.0391 17.4785 17.4785 k = 0.2353 0.1358 0.6184 ( 3282 PWs) bands (ev): -19.6964 -19.6964 -2.6354 -2.6354 -1.5458 -1.5458 -1.5075 -1.5075 7.0294 7.0294 7.3125 7.3125 8.3358 8.3358 8.4545 8.4545 9.0213 9.0213 9.6158 9.6158 9.7337 9.7337 9.8854 9.8854 9.9637 9.9637 10.1499 10.1499 10.2737 10.2737 10.4412 10.4412 10.9159 10.9159 11.4887 11.4887 11.6107 11.6107 11.9718 11.9718 12.0418 12.0418 12.1387 12.1387 12.5046 12.5046 12.6145 12.6145 12.8750 12.8750 13.4126 13.4126 13.6510 13.6510 13.8569 13.8569 13.9218 13.9218 14.1436 14.1436 14.9353 14.9353 15.1823 15.1823 15.8010 15.8010 16.3749 16.3749 17.0844 17.0844 17.5481 17.5481 k = 0.2500 0.1443 0.6184 ( 3286 PWs) bands (ev): -19.6964 -19.6964 -2.6353 -2.6353 -1.5455 -1.5455 -1.5077 -1.5077 7.0784 7.0784 7.3382 7.3382 8.3549 8.3549 8.4744 8.4744 9.0263 9.0263 9.6066 9.6066 9.7134 9.7134 9.8979 9.8979 9.9855 9.9855 10.1360 10.1360 10.2644 10.2644 10.4406 10.4406 10.9241 10.9241 11.4603 11.4603 11.6082 11.6082 11.9765 11.9765 12.0328 12.0328 12.0642 12.0642 12.4812 12.4812 12.6290 12.6290 12.8767 12.8767 13.3895 13.3895 13.5794 13.5794 13.8527 13.8527 13.8836 13.8836 14.0993 14.0993 14.9059 14.9059 15.1692 15.1692 15.8074 15.8074 16.4343 16.4343 17.1301 17.1301 17.6158 17.6158 k = 0.2647 0.1528 0.6184 ( 3282 PWs) bands (ev): -19.6964 -19.6964 -2.6351 -2.6351 -1.5451 -1.5451 -1.5079 -1.5079 7.1283 7.1283 7.3651 7.3651 8.3758 8.3758 8.4946 8.4946 9.0250 9.0250 9.5994 9.5994 9.6925 9.6925 9.9123 9.9123 10.0072 10.0072 10.1242 10.1242 10.2576 10.2576 10.4434 10.4434 10.9327 10.9327 11.4298 11.4298 11.6053 11.6053 11.9270 11.9270 12.0169 12.0169 12.0352 12.0352 12.4612 12.4612 12.6401 12.6401 12.8840 12.8840 13.3679 13.3679 13.5152 13.5152 13.8233 13.8233 13.8549 13.8549 14.0773 14.0773 14.8733 14.8733 15.1571 15.1571 15.8074 15.8074 16.4959 16.4959 17.1760 17.1760 17.6813 17.6813 k = 0.2794 0.1613 0.6184 ( 3286 PWs) bands (ev): -19.6963 -19.6963 -2.6350 -2.6350 -1.5448 -1.5448 -1.5081 -1.5081 7.1786 7.1786 7.3929 7.3929 8.3987 8.3987 8.5150 8.5150 9.0171 9.0171 9.5942 9.5942 9.6716 9.6716 9.9280 9.9280 10.0278 10.0278 10.1164 10.1164 10.2532 10.2532 10.4492 10.4492 10.9419 10.9419 11.3972 11.3972 11.6015 11.6015 11.8344 11.8344 12.0127 12.0127 12.0239 12.0239 12.4440 12.4440 12.6480 12.6480 12.8962 12.8962 13.3469 13.3469 13.4609 13.4609 13.7562 13.7562 13.8536 13.8536 14.0717 14.0717 14.8377 14.8377 15.1462 15.1462 15.8011 15.8011 16.5592 16.5592 17.2218 17.2218 17.7441 17.7441 k = 0.2941 0.1698 0.6184 ( 3282 PWs) bands (ev): -19.6963 -19.6963 -2.6348 -2.6348 -1.5445 -1.5445 -1.5083 -1.5083 7.2286 7.2286 7.4216 7.4216 8.4236 8.4236 8.5357 8.5357 9.0027 9.0027 9.5905 9.5905 9.6508 9.6508 9.9446 9.9446 10.0456 10.0456 10.1150 10.1150 10.2516 10.2516 10.4576 10.4576 10.9516 10.9516 11.3625 11.3625 11.5954 11.5954 11.7338 11.7338 11.9906 11.9906 12.0277 12.0277 12.4276 12.4276 12.6547 12.6547 12.9123 12.9123 13.3256 13.3256 13.4182 13.4182 13.6833 13.6833 13.8543 13.8543 14.0761 14.0761 14.7995 14.7995 15.1365 15.1365 15.7892 15.7892 16.6235 16.6235 17.2670 17.2670 17.8040 17.8040 k = 0.3088 0.1783 0.6184 ( 3292 PWs) bands (ev): -19.6962 -19.6962 -2.6346 -2.6346 -1.5443 -1.5443 -1.5084 -1.5084 7.2780 7.2780 7.4509 7.4509 8.4503 8.4503 8.5568 8.5568 8.9826 8.9826 9.5874 9.5874 9.6305 9.6305 9.9617 9.9617 10.0591 10.0591 10.1218 10.1218 10.2533 10.2533 10.4680 10.4680 10.9622 10.9622 11.3254 11.3254 11.5786 11.5786 11.6396 11.6396 11.9617 11.9617 12.0325 12.0325 12.4092 12.4092 12.6624 12.6624 12.9306 12.9306 13.3039 13.3039 13.3872 13.3872 13.6093 13.6093 13.8561 13.8561 14.0867 14.0867 14.7592 14.7592 15.1278 15.1278 15.7721 15.7721 16.6883 16.6883 17.3115 17.3115 17.8608 17.8608 k = 0.3235 0.1868 0.6184 ( 3288 PWs) bands (ev): -19.6962 -19.6962 -2.6345 -2.6345 -1.5440 -1.5440 -1.5086 -1.5086 7.3261 7.3261 7.4807 7.4807 8.4784 8.4784 8.5788 8.5788 8.9577 8.9577 9.5840 9.5840 9.6109 9.6109 9.9788 9.9788 10.0687 10.0687 10.1359 10.1359 10.2589 10.2589 10.4799 10.4799 10.9737 10.9737 11.2853 11.2853 11.5054 11.5054 11.6003 11.6003 11.9285 11.9285 12.0369 12.0369 12.3872 12.3872 12.6724 12.6724 12.9498 12.9498 13.2832 13.2832 13.3663 13.3663 13.5370 13.5370 13.8587 13.8587 14.1013 14.1013 14.7174 14.7174 15.1201 15.1201 15.7505 15.7505 16.7528 16.7528 17.3549 17.3549 17.9141 17.9141 k = 0.3382 0.1953 0.6184 ( 3288 PWs) bands (ev): -19.6961 -19.6961 -2.6343 -2.6343 -1.5438 -1.5438 -1.5086 -1.5086 7.3722 7.3722 7.5108 7.5108 8.5070 8.5070 8.6026 8.6026 8.9292 8.9292 9.5788 9.5788 9.5927 9.5927 9.9960 9.9960 10.0763 10.0763 10.1542 10.1542 10.2693 10.2693 10.4929 10.4929 10.9862 10.9862 11.2409 11.2409 11.4057 11.4057 11.5890 11.5890 11.8923 11.8923 12.0409 12.0409 12.3610 12.3610 12.6850 12.6850 12.9688 12.9688 13.2647 13.2647 13.3532 13.3532 13.4681 13.4681 13.8622 13.8622 14.1185 14.1185 14.6748 14.6748 15.1132 15.1132 15.7250 15.7250 16.8164 16.8164 17.3969 17.3969 17.9638 17.9638 k = 0.3529 0.2038 0.6184 ( 3288 PWs) bands (ev): -19.6961 -19.6961 -2.6342 -2.6342 -1.5436 -1.5436 -1.5087 -1.5087 7.4159 7.4159 7.5408 7.5408 8.5347 8.5347 8.6294 8.6294 8.8981 8.8981 9.5680 9.5680 9.5796 9.5796 10.0133 10.0133 10.0832 10.0832 10.1740 10.1740 10.2850 10.2850 10.5062 10.5062 10.9999 10.9999 11.1885 11.1885 11.3109 11.3109 11.5797 11.5797 11.8542 11.8542 12.0445 12.0445 12.3316 12.3316 12.6996 12.6996 12.9870 12.9870 13.2474 13.2474 13.3467 13.3467 13.4050 13.4050 13.8665 13.8665 14.1369 14.1369 14.6324 14.6324 15.1071 15.1071 15.6964 15.6964 16.8782 16.8782 17.4372 17.4372 18.0095 18.0095 k = 0.3676 0.2123 0.6184 ( 3288 PWs) bands (ev): -19.6961 -19.6961 -2.6341 -2.6341 -1.5434 -1.5434 -1.5087 -1.5087 7.4566 7.4566 7.5705 7.5705 8.5596 8.5596 8.6606 8.6606 8.8658 8.8658 9.5516 9.5516 9.5716 9.5716 10.0304 10.0304 10.0896 10.0896 10.1938 10.1938 10.3057 10.3057 10.5196 10.5196 11.0144 11.0144 11.1214 11.1214 11.2324 11.2324 11.5698 11.5698 11.8151 11.8151 12.0480 12.0480 12.3002 12.3002 12.7153 12.7153 13.0039 13.0039 13.2273 13.2273 13.3447 13.3447 13.3530 13.3530 13.8716 13.8716 14.1552 14.1552 14.5913 14.5913 15.1018 15.1018 15.6655 15.6655 16.9377 16.9377 17.4755 17.4755 18.0512 18.0512 k = 0.3824 0.2208 0.6184 ( 3288 PWs) bands (ev): -19.6960 -19.6960 -2.6340 -2.6340 -1.5433 -1.5433 -1.5088 -1.5088 7.4938 7.4938 7.5995 7.5995 8.5808 8.5808 8.6966 8.6966 8.8336 8.8336 9.5345 9.5345 9.5641 9.5641 10.0470 10.0470 10.0959 10.0959 10.2130 10.2130 10.3302 10.3302 10.5327 10.5327 11.0246 11.0246 11.0442 11.0442 11.1737 11.1737 11.5588 11.5588 11.7760 11.7760 12.0514 12.0514 12.2683 12.2683 12.7315 12.7315 13.0196 13.0196 13.1990 13.1990 13.3089 13.3089 13.3546 13.3546 13.8779 13.8779 14.1715 14.1715 14.5531 14.5531 15.0971 15.0971 15.6332 15.6332 16.9939 16.9939 17.5114 17.5114 18.0887 18.0887 k = 0.3971 0.2292 0.6184 ( 3280 PWs) bands (ev): -19.6960 -19.6960 -2.6338 -2.6338 -1.5432 -1.5432 -1.5088 -1.5088 7.5271 7.5271 7.6273 7.6273 8.5981 8.5981 8.7351 8.7351 8.8038 8.8038 9.5179 9.5179 9.5564 9.5564 10.0614 10.0614 10.1033 10.1033 10.2308 10.2308 10.3562 10.3562 10.5456 10.5456 10.9526 10.9526 11.0407 11.0407 11.1314 11.1314 11.5460 11.5460 11.7377 11.7377 12.0548 12.0548 12.2373 12.2373 12.7477 12.7477 13.0337 13.0337 13.1615 13.1615 13.2815 13.2815 13.3676 13.3676 13.8853 13.8853 14.1834 14.1834 14.5198 14.5198 15.0930 15.0930 15.6005 15.6005 17.0460 17.0460 17.5446 17.5446 18.1219 18.1219 k = 0.4118 0.2377 0.6184 ( 3288 PWs) bands (ev): -19.6960 -19.6960 -2.6337 -2.6337 -1.5430 -1.5430 -1.5088 -1.5088 7.5562 7.5562 7.6534 7.6534 8.6121 8.6121 8.7561 8.7561 8.7959 8.7959 9.5020 9.5020 9.5488 9.5488 10.0717 10.0717 10.1138 10.1138 10.2468 10.2468 10.3802 10.3802 10.5593 10.5593 10.8734 10.8734 11.0300 11.0300 11.1150 11.1150 11.5311 11.5311 11.7017 11.7017 12.0582 12.0582 12.2083 12.2083 12.7637 12.7637 13.0448 13.0448 13.1219 13.1219 13.2623 13.2623 13.3849 13.3849 13.8941 13.8941 14.1884 14.1884 14.4938 14.4938 15.0895 15.0895 15.5685 15.5685 17.0932 17.0932 17.5748 17.5748 18.1506 18.1506 k = 0.4265 0.2462 0.6184 ( 3288 PWs) bands (ev): -19.6960 -19.6960 -2.6337 -2.6337 -1.5430 -1.5430 -1.5088 -1.5088 7.5810 7.5810 7.6773 7.6773 8.6234 8.6234 8.7358 8.7358 8.8326 8.8326 9.4869 9.4869 9.5416 9.5416 10.0773 10.0773 10.1282 10.1282 10.2605 10.2605 10.3969 10.3969 10.5761 10.5761 10.8058 10.8058 10.9949 10.9949 11.1262 11.1262 11.5134 11.5134 11.6694 11.6694 12.0617 12.0617 12.1820 12.1820 12.7799 12.7799 13.0433 13.0433 13.0946 13.0946 13.2469 13.2469 13.4044 13.4044 13.9044 13.9044 14.1846 14.1846 14.4769 14.4769 15.0866 15.0866 15.5383 15.5383 17.1348 17.1348 17.6015 17.6015 18.1749 18.1749 k = 0.4412 0.2547 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6336 -2.6336 -1.5429 -1.5429 -1.5088 -1.5088 7.6014 7.6014 7.6981 7.6981 8.6323 8.6323 8.7122 8.7122 8.8741 8.8741 9.4728 9.4728 9.5352 9.5352 10.0794 10.0794 10.1448 10.1448 10.2713 10.2713 10.4012 10.4012 10.5991 10.5991 10.7542 10.7542 10.9509 10.9509 11.1479 11.1479 11.4926 11.4926 11.6424 11.6424 12.0653 12.0653 12.1592 12.1592 12.7963 12.7963 13.0168 13.0168 13.0945 13.0945 13.2331 13.2331 13.4239 13.4239 13.9164 13.9164 14.1720 14.1720 14.4689 14.4689 15.0842 15.0842 15.5111 15.5111 17.1699 17.1699 17.6242 17.6242 18.1948 18.1948 k = 0.4559 0.2632 0.6184 ( 3280 PWs) bands (ev): -19.6959 -19.6959 -2.6335 -2.6335 -1.5428 -1.5428 -1.5087 -1.5087 7.6172 7.6172 7.7153 7.7153 8.6392 8.6392 8.6921 8.6921 8.9122 8.9122 9.4603 9.4603 9.5299 9.5299 10.0799 10.0799 10.1621 10.1621 10.2784 10.2784 10.3927 10.3927 10.6290 10.6290 10.7203 10.7203 10.9044 10.9044 11.1724 11.1724 11.4695 11.4695 11.6218 11.6218 12.0690 12.0690 12.1402 12.1402 12.8134 12.8134 12.9830 12.9830 13.1048 13.1048 13.2203 13.2203 13.4415 13.4415 13.9296 13.9296 14.1534 14.1534 14.4676 14.4676 15.0823 15.0823 15.4883 15.4883 17.1979 17.1979 17.6426 17.6426 18.2102 18.2102 k = 0.4706 0.2717 0.6184 ( 3280 PWs) bands (ev): -19.6959 -19.6959 -2.6335 -2.6335 -1.5428 -1.5428 -1.5087 -1.5087 7.6285 7.6285 7.7281 7.7281 8.6443 8.6443 8.6766 8.6766 8.9429 8.9429 9.4501 9.4501 9.5260 9.5260 10.0795 10.0795 10.1787 10.1787 10.2809 10.2809 10.3778 10.3778 10.6611 10.6611 10.7053 10.7053 10.8572 10.8572 11.1958 11.1958 11.4465 11.4465 11.6077 11.6077 12.0727 12.0727 12.1254 12.1254 12.8311 12.8311 12.9514 12.9514 13.1160 13.1160 13.2089 13.2089 13.4554 13.4554 13.9428 13.9428 14.1334 14.1334 14.4695 14.4695 15.0810 15.0810 15.4710 15.4710 17.2184 17.2184 17.6561 17.6561 18.2211 18.2211 k = 0.4853 0.2802 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6335 -2.6335 -1.5428 -1.5428 -1.5087 -1.5087 7.6353 7.6353 7.7361 7.7361 8.6477 8.6477 8.6666 8.6666 8.9631 8.9631 9.4433 9.4433 9.5236 9.5236 10.0790 10.0790 10.1919 10.1919 10.2792 10.2792 10.3654 10.3654 10.6749 10.6749 10.7232 10.7232 10.8101 10.8101 11.2137 11.2137 11.4284 11.4284 11.5997 11.5997 12.0759 12.0759 12.1154 12.1154 12.8480 12.8480 12.9258 12.9258 13.1249 13.1249 13.2003 13.2003 13.4643 13.4643 13.9535 13.9535 14.1174 14.1174 14.4719 14.4719 15.0803 15.0803 15.4601 15.4601 17.2308 17.2308 17.6644 17.6644 18.2277 18.2277 k = 0.5000 0.2887 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6335 -2.6335 -1.5428 -1.5428 -1.5087 -1.5087 7.6376 7.6376 7.7388 7.7388 8.6491 8.6491 8.6630 8.6630 8.9701 8.9701 9.4409 9.4409 9.5228 9.5228 10.0788 10.0788 10.1974 10.1974 10.2773 10.2773 10.3609 10.3609 10.6751 10.6751 10.7609 10.7609 10.7676 10.7676 11.2206 11.2206 11.4214 11.4214 11.5971 11.5971 12.0773 12.0773 12.1118 12.1118 12.8567 12.8567 12.9141 12.9141 13.1284 13.1284 13.1969 13.1969 13.4673 13.4673 13.9578 13.9578 14.1112 14.1112 14.4729 14.4729 15.0800 15.0800 15.4564 15.4564 17.2349 17.2349 17.6672 17.6672 18.2298 18.2298 k = 0.5000 0.2887 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6335 -2.6335 -1.5428 -1.5428 -1.5087 -1.5087 7.6376 7.6376 7.7388 7.7388 8.6491 8.6491 8.6630 8.6630 8.9701 8.9701 9.4409 9.4409 9.5228 9.5228 10.0788 10.0788 10.1974 10.1974 10.2773 10.2773 10.3609 10.3609 10.6751 10.6751 10.7609 10.7609 10.7676 10.7676 11.2206 11.2206 11.4214 11.4214 11.5971 11.5971 12.0773 12.0773 12.1118 12.1118 12.8567 12.8567 12.9141 12.9141 13.1284 13.1284 13.1969 13.1969 13.4673 13.4673 13.9578 13.9578 14.1112 14.1112 14.4729 14.4729 15.0800 15.0800 15.4564 15.4564 17.2349 17.2349 17.6672 17.6672 18.2298 18.2298 k = 0.4917 0.3031 0.6184 ( 3280 PWs) bands (ev): -19.6959 -19.6959 -2.6334 -2.6334 -1.5427 -1.5427 -1.5087 -1.5087 7.6399 7.6399 7.7399 7.7399 8.6491 8.6491 8.6616 8.6616 8.9690 8.9690 9.4415 9.4415 9.5228 9.5228 10.0712 10.0712 10.2001 10.2001 10.2751 10.2751 10.3561 10.3561 10.6736 10.6736 10.7621 10.7621 10.7783 10.7783 11.2224 11.2224 11.4183 11.4183 11.6029 11.6029 12.0714 12.0714 12.1176 12.1176 12.8552 12.8552 12.9150 12.9150 13.1261 13.1261 13.1993 13.1993 13.4666 13.4666 13.9537 13.9537 14.1124 14.1124 14.4763 14.4763 15.0756 15.0756 15.4564 15.4564 17.2275 17.2275 17.6540 17.6540 18.2476 18.2476 k = 0.4833 0.3175 0.6184 ( 3280 PWs) bands (ev): -19.6959 -19.6959 -2.6334 -2.6334 -1.5427 -1.5427 -1.5088 -1.5088 7.6469 7.6469 7.7432 7.7432 8.6483 8.6483 8.6578 8.6578 8.9658 8.9658 9.4433 9.4433 9.5228 9.5228 10.0509 10.0509 10.2050 10.2050 10.2686 10.2686 10.3436 10.3436 10.6684 10.6684 10.7741 10.7741 10.8008 10.8008 11.2275 11.2275 11.4106 11.4106 11.6190 11.6190 12.0592 12.0592 12.1295 12.1295 12.8511 12.8511 12.9174 12.9174 13.1200 13.1200 13.2057 13.2057 13.4644 13.4644 13.9426 13.9426 14.1147 14.1147 14.4868 14.4868 15.0624 15.0624 15.4564 15.4564 17.2058 17.2058 17.6184 17.6184 18.2965 18.2965 k = 0.4750 0.3320 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6334 -2.6334 -1.5425 -1.5425 -1.5089 -1.5089 7.6585 7.6585 7.7488 7.7488 8.6440 8.6440 8.6546 8.6546 8.9604 8.9604 9.4464 9.4464 9.5228 9.5228 10.0226 10.0226 10.2061 10.2061 10.2578 10.2578 10.3294 10.3294 10.6598 10.6598 10.7966 10.7966 10.8317 10.8317 11.2349 11.2349 11.4016 11.4016 11.6425 11.6425 12.0452 12.0452 12.1430 12.1430 12.8448 12.8448 12.9207 12.9207 13.1118 13.1118 13.2142 13.2142 13.4607 13.4607 13.9271 13.9271 14.1159 14.1159 14.5042 14.5042 15.0409 15.0409 15.4565 15.4565 17.1711 17.1711 17.5686 17.5686 18.3680 18.3680 k = 0.4667 0.3464 0.6184 ( 3272 PWs) bands (ev): -19.6959 -19.6959 -2.6334 -2.6334 -1.5423 -1.5423 -1.5091 -1.5091 7.6746 7.6746 7.7566 7.7566 8.6339 8.6339 8.6540 8.6540 8.9529 8.9529 9.4506 9.4506 9.5227 9.5227 9.9893 9.9893 10.1997 10.1997 10.2400 10.2400 10.3209 10.3209 10.6491 10.6491 10.8253 10.8253 10.8698 10.8698 11.2428 11.2428 11.3947 11.3947 11.6710 11.6710 12.0308 12.0308 12.1569 12.1569 12.8369 12.8369 12.9244 12.9244 13.1027 13.1027 13.2234 13.2234 13.4558 13.4558 13.9094 13.9094 14.1138 14.1138 14.5282 14.5282 15.0117 15.0117 15.4568 15.4568 17.1249 17.1249 17.5119 17.5119 18.4546 18.4546 k = 0.4583 0.3608 0.6184 ( 3272 PWs) bands (ev): -19.6959 -19.6959 -2.6333 -2.6333 -1.5420 -1.5420 -1.5093 -1.5093 7.6952 7.6952 7.7667 7.7667 8.6199 8.6199 8.6545 8.6545 8.9435 8.9435 9.4558 9.4558 9.5225 9.5225 9.9528 9.9528 10.1865 10.1865 10.2141 10.2141 10.3207 10.3207 10.6373 10.6373 10.8574 10.8574 10.9139 10.9139 11.2487 11.2487 11.3934 11.3934 11.7024 11.7024 12.0166 12.0166 12.1706 12.1706 12.8278 12.8278 12.9280 12.9280 13.0933 13.0933 13.2324 13.2324 13.4499 13.4499 13.8908 13.8908 14.1079 14.1079 14.5580 14.5580 14.9758 14.9758 15.4572 15.4572 17.0687 17.0687 17.4531 17.4531 18.5512 18.5512 k = 0.4500 0.3753 0.6184 ( 3276 PWs) bands (ev): -19.6959 -19.6959 -2.6333 -2.6333 -1.5417 -1.5417 -1.5096 -1.5096 7.7200 7.7200 7.7791 7.7791 8.6028 8.6028 8.6551 8.6551 8.9322 8.9322 9.4620 9.4620 9.5222 9.5222 9.9145 9.9145 10.1679 10.1679 10.1842 10.1842 10.3254 10.3254 10.6253 10.6253 10.8911 10.8911 10.9623 10.9623 11.2501 11.2501 11.4002 11.4002 11.7351 11.7351 12.0031 12.0031 12.1841 12.1841 12.8179 12.8179 12.9311 12.9311 13.0841 13.0841 13.2402 13.2402 13.4436 13.4436 13.8715 13.8715 14.0986 14.0986 14.5925 14.5925 14.9346 14.9346 15.4579 15.4579 17.0037 17.0037 17.3957 17.3957 18.6548 18.6548 k = 0.4417 0.3897 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6332 -2.6332 -1.5414 -1.5414 -1.5098 -1.5098 7.7488 7.7488 7.7940 7.7940 8.5827 8.5827 8.6553 8.6553 8.9194 8.9194 9.4690 9.4690 9.5217 9.5217 9.8752 9.8752 10.1403 10.1403 10.1586 10.1586 10.3318 10.3318 10.6137 10.6137 10.9254 10.9254 11.0134 11.0134 11.2465 11.2465 11.4156 11.4156 11.7675 11.7675 11.9912 11.9912 12.1972 12.1972 12.8072 12.8072 12.9334 12.9334 13.0752 13.0752 13.2459 13.2459 13.4378 13.4378 13.8510 13.8510 14.0873 14.0873 14.6305 14.6305 14.8895 14.8895 15.4590 15.4590 16.9309 16.9309 17.3422 17.3422 18.7630 18.7630 k = 0.4333 0.4041 0.6184 ( 3280 PWs) bands (ev): -19.6959 -19.6959 -2.6332 -2.6332 -1.5410 -1.5410 -1.5101 -1.5101 7.7806 7.7806 7.8121 7.8121 8.5601 8.5601 8.6549 8.6549 8.9052 8.9052 9.4766 9.4766 9.5209 9.5209 9.8358 9.8358 10.1051 10.1051 10.1387 10.1387 10.3380 10.3380 10.6032 10.6032 10.9593 10.9593 11.0660 11.0660 11.2392 11.2392 11.4383 11.4383 11.7975 11.7975 11.9825 11.9825 12.2099 12.2099 12.7962 12.7962 12.9342 12.9342 13.0667 13.0667 13.2489 13.2489 13.4335 13.4335 13.8278 13.8278 14.0761 14.0761 14.6697 14.6697 14.8432 14.8432 15.4606 15.4606 16.8515 16.8515 17.2941 17.2941 18.8746 18.8746 k = 0.4250 0.4186 0.6184 ( 3280 PWs) bands (ev): -19.6959 -19.6959 -2.6331 -2.6331 -1.5406 -1.5406 -1.5105 -1.5105 7.8128 7.8128 7.8361 7.8361 8.5351 8.5351 8.6532 8.6532 8.8902 8.8902 9.4845 9.4845 9.5198 9.5198 9.7972 9.7972 10.0680 10.0680 10.1209 10.1209 10.3432 10.3432 10.5942 10.5942 10.9919 10.9919 11.1192 11.1192 11.2302 11.2302 11.4661 11.4661 11.8216 11.8216 11.9796 11.9796 12.2222 12.2222 12.7850 12.7850 12.9330 12.9330 13.0589 13.0589 13.2487 13.2487 13.4317 13.4317 13.8006 13.8006 14.0670 14.0670 14.7036 14.7036 14.8028 14.8028 15.4626 15.4626 16.7669 16.7669 17.2522 17.2522 18.9882 18.9882 k = 0.4167 0.4330 0.6184 ( 3276 PWs) bands (ev): -19.6958 -19.6958 -2.6330 -2.6330 -1.5402 -1.5402 -1.5108 -1.5108 7.8402 7.8402 7.8705 7.8705 8.5080 8.5080 8.6496 8.6496 8.8749 8.8749 9.4923 9.4923 9.5184 9.5184 9.7601 9.7601 10.0304 10.0304 10.1046 10.1046 10.3470 10.3470 10.5871 10.5871 11.0219 11.0219 11.1714 11.1714 11.2221 11.2221 11.4971 11.4971 11.8358 11.8358 11.9862 11.9862 12.2343 12.2343 12.7737 12.7737 12.9288 12.9288 13.0516 13.0516 13.2455 13.2455 13.4325 13.4325 13.7689 13.7689 14.0615 14.0615 14.7044 14.7044 14.7965 14.7965 15.4651 15.4651 16.6789 16.6789 17.2164 17.2164 19.1032 19.1032 k = 0.4083 0.4474 0.6184 ( 3272 PWs) bands (ev): -19.6958 -19.6958 -2.6330 -2.6330 -1.5398 -1.5398 -1.5111 -1.5111 7.8650 7.8650 7.9131 7.9131 8.4788 8.4788 8.6432 8.6432 8.8602 8.8602 9.4992 9.4992 9.5169 9.5169 9.7257 9.7257 9.9931 9.9931 10.0901 10.0901 10.3494 10.3494 10.5823 10.5823 11.0478 11.0478 11.2079 11.2079 11.2310 11.2310 11.5299 11.5299 11.8383 11.8383 12.0037 12.0037 12.2462 12.2462 12.7627 12.7627 12.9206 12.9206 13.0451 13.0451 13.2401 13.2401 13.4357 13.4357 13.7330 13.7330 14.0603 14.0603 14.6666 14.6666 14.8305 14.8305 15.4679 15.4679 16.5893 16.5893 17.1865 17.1865 19.2188 19.2188 k = 0.4000 0.4619 0.6184 ( 3280 PWs) bands (ev): -19.6958 -19.6958 -2.6329 -2.6329 -1.5393 -1.5393 -1.5115 -1.5115 7.8904 7.8904 7.9602 7.9602 8.4480 8.4480 8.6332 8.6332 8.8469 8.8469 9.5041 9.5041 9.5153 9.5153 9.6954 9.6954 9.9564 9.9564 10.0773 10.0773 10.3503 10.3503 10.5798 10.5798 11.0673 11.0673 11.2086 11.2086 11.2784 11.2784 11.5630 11.5630 11.8316 11.8316 12.0292 12.0292 12.2585 12.2585 12.7520 12.7520 12.9070 12.9070 13.0396 13.0396 13.2336 13.2336 13.4403 13.4403 13.6947 13.6947 14.0632 14.0632 14.6209 14.6209 14.8748 14.8748 15.4708 15.4708 16.5002 16.5002 17.1619 17.1619 19.3344 19.3344 k = 0.3917 0.4763 0.6184 ( 3280 PWs) bands (ev): -19.6958 -19.6958 -2.6328 -2.6328 -1.5389 -1.5389 -1.5118 -1.5118 7.9172 7.9172 8.0106 8.0106 8.4156 8.4156 8.6186 8.6186 8.8357 8.8357 9.5055 9.5055 9.5138 9.5138 9.6710 9.6710 9.9208 9.9208 10.0664 10.0664 10.3501 10.3501 10.5795 10.5795 11.0786 11.0786 11.2121 11.2121 11.3274 11.3274 11.5951 11.5951 11.8192 11.8192 12.0590 12.0590 12.2716 12.2716 12.7419 12.7419 12.8869 12.8869 13.0349 13.0349 13.2271 13.2271 13.4455 13.4455 13.6567 13.6567 14.0695 14.0695 14.5753 14.5753 14.9214 14.9214 15.4733 15.4733 16.4136 16.4136 17.1420 17.1420 19.4496 19.4496 k = 0.3833 0.4907 0.6184 ( 3290 PWs) bands (ev): -19.6958 -19.6958 -2.6328 -2.6328 -1.5385 -1.5385 -1.5121 -1.5121 7.9456 7.9456 8.0633 8.0633 8.3819 8.3819 8.5988 8.5988 8.8273 8.8273 9.5029 9.5029 9.5113 9.5113 9.6546 9.6546 9.8865 9.8865 10.0573 10.0573 10.3490 10.3490 10.5811 10.5811 11.0818 11.0818 11.2212 11.2212 11.3747 11.3747 11.6245 11.6245 11.8040 11.8040 12.0900 12.0900 12.2863 12.2863 12.7323 12.7323 12.8594 12.8594 13.0312 13.0312 13.2212 13.2212 13.4504 13.4504 13.6217 13.6217 14.0782 14.0782 14.5321 14.5321 14.9685 14.9685 15.4747 15.4747 16.3317 16.3317 17.1263 17.1263 19.5640 19.5640 k = 0.3750 0.5052 0.6184 ( 3294 PWs) bands (ev): -19.6958 -19.6958 -2.6327 -2.6327 -1.5382 -1.5382 -1.5124 -1.5124 7.9758 7.9758 8.1175 8.1175 8.3472 8.3472 8.5739 8.5739 8.8215 8.8215 9.4958 9.4958 9.5081 9.5081 9.6471 9.6471 9.8540 9.8540 10.0500 10.0500 10.3474 10.3474 10.5842 10.5842 11.0790 11.0790 11.2337 11.2337 11.4198 11.4198 11.6492 11.6492 11.7880 11.7880 12.1200 12.1200 12.3037 12.3037 12.7234 12.7234 12.8246 12.8246 13.0282 13.0282 13.2164 13.2164 13.4542 13.4542 13.5922 13.5922 14.0883 14.0883 14.4927 14.4927 15.0151 15.0151 15.4739 15.4739 16.2569 16.2569 17.1141 17.1141 19.6774 19.6774 k = 0.3667 0.5196 0.6184 ( 3298 PWs) bands (ev): -19.6958 -19.6958 -2.6327 -2.6327 -1.5379 -1.5379 -1.5126 -1.5126 8.0075 8.0075 8.1722 8.1722 8.3121 8.3121 8.5440 8.5440 8.8181 8.8181 9.4845 9.4845 9.5052 9.5052 9.6476 9.6476 9.8235 9.8235 10.0444 10.0444 10.3457 10.3457 10.5881 10.5881 11.0733 11.0733 11.2469 11.2469 11.4625 11.4625 11.6657 11.6657 11.7740 11.7740 12.1470 12.1470 12.3248 12.3248 12.7145 12.7145 12.7840 12.7840 13.0260 13.0260 13.2127 13.2127 13.4570 13.4570 13.5693 13.5693 14.0988 14.0988 14.4580 14.4580 15.0600 15.0600 15.4699 15.4699 16.1919 16.1919 17.1051 17.1051 19.7894 19.7894 k = 0.3583 0.5340 0.6184 ( 3302 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5377 -1.5377 -1.5128 -1.5128 8.0408 8.0408 8.2238 8.2238 8.2793 8.2793 8.5097 8.5097 8.8165 8.8165 9.4720 9.4720 9.5029 9.5029 9.6535 9.6535 9.7958 9.7958 10.0402 10.0402 10.3441 10.3441 10.5923 10.5923 11.0667 11.0667 11.2587 11.2587 11.5028 11.5028 11.6699 11.6699 11.7658 11.7658 12.1692 12.1692 12.3500 12.3500 12.7033 12.7033 12.7428 12.7428 13.0243 13.0243 13.2101 13.2101 13.4593 13.4593 13.5529 13.5529 14.1087 14.1087 14.4292 14.4292 15.1020 15.1020 15.4616 15.4616 16.1394 16.1394 17.0987 17.0987 19.8999 19.8999 k = 0.3500 0.5485 0.6184 ( 3298 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5375 -1.5375 -1.5130 -1.5130 8.0751 8.0751 8.2308 8.2308 8.2898 8.2898 8.4716 8.4716 8.8160 8.8160 9.4609 9.4609 9.5012 9.5012 9.6625 9.6625 9.7718 9.7718 10.0375 10.0375 10.3429 10.3429 10.5961 10.5961 11.0608 11.0608 11.2678 11.2678 11.5404 11.5404 11.6598 11.6598 11.7648 11.7648 12.1854 12.1854 12.3774 12.3774 12.6788 12.6788 12.7170 12.7170 13.0232 13.0232 13.2084 13.2084 13.4618 13.4618 13.5418 13.5418 14.1166 14.1166 14.4074 14.4074 15.1385 15.1385 15.4496 15.4496 16.1015 16.1015 17.0946 17.0946 20.0084 20.0084 k = 0.3417 0.5629 0.6184 ( 3308 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5374 -1.5374 -1.5130 -1.5130 8.1090 8.1090 8.1986 8.1986 8.3382 8.3382 8.4303 8.4303 8.8160 8.8160 9.4534 9.4534 9.5001 9.5001 9.6713 9.6713 9.7539 9.7539 10.0359 10.0359 10.3422 10.3422 10.5988 10.5988 11.0567 11.0567 11.2736 11.2736 11.5744 11.5744 11.6398 11.6398 11.7671 11.7671 12.1951 12.1951 12.4010 12.4010 12.6479 12.6479 12.7085 12.7085 13.0226 13.0226 13.2075 13.2075 13.4646 13.4646 13.5349 13.5349 14.1215 14.1215 14.3940 14.3940 15.1654 15.1654 15.4370 15.4370 16.0793 16.0793 17.0924 17.0924 20.1142 20.1142 k = 0.3333 0.5774 0.6184 ( 3300 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5373 -1.5373 -1.5131 -1.5131 8.1305 8.1305 8.1771 8.1771 8.3810 8.3810 8.3907 8.3907 8.8161 8.8161 9.4507 9.4507 9.4997 9.4997 9.6754 9.6754 9.7466 9.7466 10.0355 10.0355 10.3420 10.3420 10.5999 10.5999 11.0552 11.0552 11.2755 11.2755 11.5965 11.5965 11.6221 11.6221 11.7683 11.7683 12.1984 12.1984 12.4107 12.4107 12.6349 12.6349 12.7059 12.7059 13.0225 13.0225 13.2072 13.2072 13.4661 13.4661 13.5323 13.5323 14.1231 14.1231 14.3895 14.3895 15.1760 15.1760 15.4310 15.4310 16.0723 16.0723 17.0917 17.0917 20.2027 20.2028 k = 0.3333 0.5774 0.6184 ( 3300 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5373 -1.5373 -1.5131 -1.5131 8.1305 8.1305 8.1771 8.1771 8.3810 8.3810 8.3907 8.3907 8.8161 8.8161 9.4507 9.4507 9.4997 9.4997 9.6754 9.6754 9.7466 9.7466 10.0355 10.0355 10.3420 10.3420 10.5999 10.5999 11.0552 11.0552 11.2755 11.2755 11.5965 11.5965 11.6221 11.6221 11.7683 11.7683 12.1984 12.1984 12.4107 12.4107 12.6349 12.6349 12.7059 12.7059 13.0225 13.0225 13.2072 13.2072 13.4661 13.4661 13.5323 13.5323 14.1231 14.1231 14.3895 14.3895 15.1760 15.1760 15.4310 15.4310 16.0723 16.0723 17.0917 17.0917 20.2027 20.2027 k = 0.3248 0.5625 0.6184 ( 3304 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5374 -1.5374 -1.5130 -1.5130 8.1074 8.1074 8.2001 8.2001 8.3382 8.3382 8.4298 8.4298 8.8159 8.8159 9.4536 9.4536 9.5001 9.5001 9.6712 9.6712 9.7545 9.7545 10.0359 10.0359 10.3422 10.3422 10.5986 10.5986 11.0569 11.0569 11.2734 11.2734 11.5735 11.5735 11.6404 11.6404 11.7669 11.7669 12.1951 12.1951 12.4017 12.4017 12.6465 12.6465 12.7103 12.7103 13.0226 13.0226 13.2075 13.2075 13.4637 13.4637 13.5354 13.5354 14.1218 14.1218 14.3940 14.3940 15.1639 15.1639 15.4389 15.4389 16.0789 16.0789 17.0923 17.0923 20.1118 20.1118 k = 0.3162 0.5477 0.6184 ( 3292 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5375 -1.5375 -1.5130 -1.5130 8.0698 8.0698 8.2345 8.2345 8.2927 8.2927 8.4669 8.4669 8.8149 8.8149 9.4623 9.4623 9.5015 9.5015 9.6624 9.6624 9.7749 9.7749 10.0372 10.0372 10.3428 10.3428 10.5945 10.5945 11.0624 11.0624 11.2670 11.2670 11.5382 11.5382 11.6599 11.6599 11.7645 11.7645 12.1860 12.1860 12.3835 12.3835 12.6647 12.6647 12.7324 12.7324 13.0229 13.0229 13.2083 13.2083 13.4562 13.4562 13.5442 13.5442 14.1191 14.1191 14.4063 14.4063 15.1307 15.1307 15.4615 15.4615 16.0968 16.0968 17.0940 17.0940 20.0041 20.0041 k = 0.3077 0.5329 0.6184 ( 3292 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5377 -1.5377 -1.5128 -1.5128 8.0302 8.0302 8.2245 8.2245 8.2927 8.2927 8.4964 8.4964 8.8130 8.8130 9.4756 9.4756 9.5040 9.5040 9.6541 9.6541 9.8044 9.8044 10.0393 10.0393 10.3435 10.3435 10.5873 10.5873 11.0718 11.0718 11.2560 11.2560 11.4994 11.4994 11.6657 11.6657 11.7673 11.7673 12.1735 12.1735 12.3667 12.3667 12.6723 12.6723 12.7782 12.7782 13.0231 13.0231 13.2096 13.2096 13.4446 13.4446 13.5571 13.5571 14.1169 14.1169 14.4249 14.4249 15.0834 15.0834 15.4934 15.4934 16.1233 16.1233 17.0963 17.0963 19.8944 19.8944 k = 0.2991 0.5181 0.6184 ( 3292 PWs) bands (ev): -19.6958 -19.6958 -2.6327 -2.6327 -1.5379 -1.5379 -1.5127 -1.5127 7.9898 7.9898 8.1737 8.1737 8.3332 8.3332 8.5181 8.5181 8.8098 8.8098 9.4916 9.4916 9.5075 9.5075 9.6490 9.6490 9.8422 9.8422 10.0420 10.0420 10.3444 10.3444 10.5771 10.5771 11.0848 11.0848 11.2401 11.2401 11.4588 11.4588 11.6533 11.6533 11.7802 11.7802 12.1613 12.1613 12.3546 12.3546 12.6741 12.6741 12.8363 12.8363 13.0233 13.0233 13.2116 13.2116 13.4302 13.4302 13.5719 13.5719 14.1170 14.1170 14.4482 14.4482 15.0285 15.0285 15.5299 15.5299 16.1559 16.1559 17.0990 17.0990 19.7835 19.7835 k = 0.2906 0.5033 0.6184 ( 3294 PWs) bands (ev): -19.6958 -19.6958 -2.6328 -2.6328 -1.5382 -1.5382 -1.5124 -1.5124 7.9494 7.9494 8.1181 8.1181 8.3781 8.3781 8.5320 8.5320 8.8051 8.8051 9.5074 9.5074 9.5127 9.5127 9.6481 9.6481 9.8888 9.8888 10.0453 10.0453 10.3451 10.3451 10.5639 10.5639 11.1010 11.1010 11.2182 11.2182 11.4180 11.4180 11.6280 11.6280 11.7998 11.7998 12.1522 12.1522 12.3470 12.3470 12.6741 12.6741 12.8978 12.8978 13.0239 13.0239 13.2145 13.2145 13.4145 13.4145 13.5873 13.5873 14.1209 14.1209 14.4746 14.4746 14.9699 14.9699 15.5684 15.5684 16.1925 16.1925 17.1020 17.1020 19.6719 19.6719 k = 0.2821 0.4885 0.6184 ( 3290 PWs) bands (ev): -19.6958 -19.6958 -2.6328 -2.6328 -1.5385 -1.5385 -1.5122 -1.5122 7.9089 7.9089 8.0605 8.0605 8.4246 8.4246 8.5390 8.5390 8.7987 8.7987 9.5165 9.5165 9.5240 9.5240 9.6516 9.6516 9.9438 9.9438 10.0494 10.0494 10.3458 10.3458 10.5483 10.5483 11.1197 11.1197 11.1893 11.1893 11.3791 11.3791 11.5975 11.5975 11.8220 11.8220 12.1475 12.1475 12.3427 12.3427 12.6735 12.6735 12.9550 12.9550 13.0281 13.0281 13.2191 13.2191 13.3991 13.3991 13.6024 13.6024 14.1295 14.1295 14.5030 14.5030 14.9104 14.9104 15.6072 15.6072 16.2311 16.2311 17.1050 17.1050 19.5596 19.5596 k = 0.2735 0.4737 0.6184 ( 3292 PWs) bands (ev): -19.6958 -19.6958 -2.6329 -2.6329 -1.5389 -1.5389 -1.5120 -1.5120 7.8686 7.8686 8.0015 8.0015 8.4720 8.4720 8.5401 8.5401 8.7903 8.7903 9.5232 9.5232 9.5364 9.5364 9.6589 9.6589 10.0047 10.0047 10.0556 10.0556 10.3467 10.3467 10.5308 10.5308 11.1367 11.1367 11.1556 11.1556 11.3443 11.3443 11.5670 11.5670 11.8444 11.8444 12.1473 12.1473 12.3408 12.3408 12.6728 12.6728 12.9891 12.9891 13.0498 13.0498 13.2272 13.2272 13.3861 13.3861 13.6169 13.6169 14.1431 14.1431 14.5319 14.5319 14.8520 14.8520 15.6453 15.6453 16.2702 16.2702 17.1078 17.1078 19.4470 19.4470 k = 0.2650 0.4589 0.6184 ( 3288 PWs) bands (ev): -19.6959 -19.6959 -2.6330 -2.6330 -1.5393 -1.5393 -1.5117 -1.5117 7.8286 7.8286 7.9413 7.9413 8.5186 8.5186 8.5378 8.5378 8.7800 8.7800 9.5305 9.5305 9.5473 9.5473 9.6686 9.6686 10.0472 10.0472 10.0851 10.0851 10.3484 10.3484 10.5128 10.5128 11.1048 11.1048 11.1639 11.1639 11.3150 11.3150 11.5404 11.5404 11.8662 11.8662 12.1510 12.1510 12.3406 12.3406 12.6719 12.6719 12.9944 12.9944 13.0883 13.0883 13.2409 13.2409 13.3793 13.3793 13.6308 13.6308 14.1618 14.1618 14.5589 14.5589 14.7976 14.7976 15.6821 15.6821 16.3083 16.3083 17.1102 17.1102 19.3342 19.3342 k = 0.2564 0.4441 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6331 -2.6331 -1.5397 -1.5397 -1.5114 -1.5114 7.7889 7.7889 7.8802 7.8802 8.5269 8.5269 8.5703 8.5703 8.7676 8.7676 9.5383 9.5383 9.5577 9.5577 9.6793 9.6793 10.0556 10.0556 10.1476 10.1476 10.3523 10.3523 10.4966 10.4966 11.0558 11.0558 11.1827 11.1827 11.2925 11.2925 11.5199 11.5199 11.8868 11.8868 12.1578 12.1578 12.3417 12.3417 12.6710 12.6710 12.9903 12.9903 13.1182 13.1182 13.2586 13.2586 13.3865 13.3865 13.6442 13.6442 14.1852 14.1852 14.5784 14.5784 14.7530 14.7530 15.7171 15.7171 16.3440 16.3440 17.1119 17.1119 19.2213 19.2213 k = 0.2479 0.4293 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6333 -2.6333 -1.5401 -1.5401 -1.5111 -1.5111 7.7497 7.7497 7.8184 7.8184 8.5168 8.5168 8.6185 8.6185 8.7532 8.7532 9.5466 9.5466 9.5684 9.5684 9.6901 9.6901 10.0600 10.0600 10.2029 10.2029 10.3600 10.3600 10.4875 10.4875 11.0061 11.0061 11.1951 11.1951 11.2803 11.2803 11.5068 11.5068 11.9060 11.9060 12.1672 12.1672 12.3436 12.3436 12.6701 12.6701 12.9829 12.9829 13.1343 13.1343 13.2706 13.2706 13.4168 13.4168 13.6578 13.6578 14.2129 14.2129 14.5783 14.5783 14.7302 14.7302 15.7500 15.7500 16.3762 16.3762 17.1128 17.1128 19.1085 19.1085 k = 0.2393 0.4145 0.6184 ( 3288 PWs) bands (ev): -19.6959 -19.6959 -2.6334 -2.6334 -1.5405 -1.5405 -1.5109 -1.5109 7.7110 7.7110 7.7561 7.7561 8.5042 8.5042 8.6668 8.6668 8.7370 8.7370 9.5551 9.5551 9.5799 9.5799 9.7005 9.7005 10.0635 10.0635 10.2367 10.2367 10.3675 10.3675 10.4959 10.4959 10.9619 10.9619 11.1944 11.1944 11.2836 11.2836 11.5015 11.5015 11.9234 11.9234 12.1787 12.1787 12.3459 12.3459 12.6694 12.6694 12.9734 12.9734 13.1415 13.1415 13.2735 13.2735 13.4678 13.4678 13.6722 13.6722 14.2442 14.2442 14.5512 14.5512 14.7368 14.7368 15.7803 15.7803 16.4040 16.4040 17.1128 17.1128 18.9960 18.9960 k = 0.2308 0.3997 0.6184 ( 3288 PWs) bands (ev): -19.6960 -19.6960 -2.6335 -2.6335 -1.5410 -1.5410 -1.5106 -1.5106 7.6727 7.6727 7.6938 7.6938 8.4900 8.4900 8.7128 8.7128 8.7208 8.7208 9.5635 9.5635 9.5925 9.5925 9.7103 9.7103 10.0663 10.0663 10.2481 10.2481 10.3655 10.3655 10.5236 10.5236 10.9313 10.9313 11.1839 11.1839 11.2996 11.2996 11.5038 11.5038 11.9388 11.9388 12.1923 12.1923 12.3479 12.3479 12.6689 12.6689 12.9626 12.9626 13.1449 13.1449 13.2724 13.2724 13.5286 13.5286 13.6888 13.6888 14.2783 14.2783 14.5088 14.5088 14.7611 14.7611 15.8079 15.8079 16.4264 16.4264 17.1116 17.1116 18.8838 18.8838 k = 0.2222 0.3849 0.6184 ( 3284 PWs) bands (ev): -19.6960 -19.6960 -2.6337 -2.6337 -1.5414 -1.5414 -1.5103 -1.5103 7.6288 7.6288 7.6376 7.6376 8.4747 8.4747 8.6990 8.6990 8.7618 8.7618 9.5715 9.5715 9.6062 9.6062 9.7194 9.7194 10.0687 10.0687 10.2450 10.2450 10.3558 10.3558 10.5497 10.5497 10.9241 10.9241 11.1727 11.1727 11.3211 11.3211 11.5132 11.5132 11.9521 11.9521 12.2077 12.2077 12.3485 12.3485 12.6690 12.6690 12.9508 12.9508 13.1478 13.1478 13.2712 13.2712 13.5901 13.5901 13.7103 13.7103 14.3147 14.3147 14.4618 14.4618 14.7928 14.7928 15.8323 15.8323 16.4430 16.4430 17.1090 17.1090 18.7720 18.7720 k = 0.2137 0.3701 0.6184 ( 3296 PWs) bands (ev): -19.6960 -19.6960 -2.6339 -2.6339 -1.5418 -1.5418 -1.5101 -1.5101 7.5674 7.5674 7.5998 7.5998 8.4589 8.4589 8.6782 8.6782 8.8070 8.8070 9.5787 9.5787 9.6211 9.6211 9.7278 9.7278 10.0706 10.0706 10.2335 10.2335 10.3440 10.3440 10.5553 10.5553 10.9427 10.9427 11.1693 11.1693 11.3445 11.3445 11.5296 11.5296 11.9631 11.9631 12.2251 12.2251 12.3466 12.3466 12.6700 12.6700 12.9385 12.9385 13.1528 13.1528 13.2716 13.2716 13.6431 13.6431 13.7428 13.7428 14.3525 14.3525 14.4149 14.4149 14.8274 14.8274 15.8533 15.8533 16.4533 16.4533 17.1048 17.1048 18.6609 18.6609 k = 0.2051 0.3553 0.6184 ( 3300 PWs) bands (ev): -19.6961 -19.6961 -2.6340 -2.6340 -1.5423 -1.5423 -1.5098 -1.5098 7.5052 7.5052 7.5640 7.5640 8.4427 8.4427 8.6562 8.6562 8.8499 8.8499 9.5849 9.5849 9.6370 9.6370 9.7354 9.7354 10.0722 10.0722 10.2170 10.2170 10.3329 10.3329 10.5407 10.5407 10.9710 10.9710 11.1842 11.1842 11.3685 11.3685 11.5529 11.5529 11.9718 11.9718 12.2445 12.2445 12.3412 12.3412 12.6723 12.6723 12.9257 12.9257 13.1618 13.1618 13.2743 13.2743 13.6800 13.6800 13.7921 13.7921 14.3663 14.3663 14.3951 14.3951 14.8632 14.8632 15.8706 15.8706 16.4572 16.4572 17.0988 17.0988 18.5504 18.5504 k = 0.1966 0.3405 0.6184 ( 3296 PWs) bands (ev): -19.6961 -19.6961 -2.6342 -2.6342 -1.5427 -1.5427 -1.5096 -1.5096 7.4433 7.4433 7.5292 7.5292 8.4264 8.4264 8.6333 8.6333 8.8900 8.8900 9.5899 9.5899 9.6538 9.6538 9.7423 9.7423 10.0738 10.0738 10.1977 10.1977 10.3228 10.3228 10.5162 10.5162 10.9879 10.9879 11.2250 11.2250 11.3927 11.3927 11.5842 11.5842 11.9781 11.9781 12.2661 12.2661 12.3313 12.3313 12.6757 12.6757 12.9126 12.9126 13.1767 13.1767 13.2800 13.2800 13.7048 13.7048 13.8527 13.8527 14.3255 14.3255 14.4341 14.4341 14.8995 14.8995 15.8840 15.8840 16.4548 16.4548 17.0908 17.0908 18.4408 18.4408 k = 0.1880 0.3257 0.6184 ( 3296 PWs) bands (ev): -19.6962 -19.6962 -2.6344 -2.6344 -1.5431 -1.5431 -1.5093 -1.5093 7.3822 7.3822 7.4954 7.4954 8.4102 8.4102 8.6098 8.6098 8.9262 8.9262 9.5938 9.5938 9.6713 9.6713 9.7485 9.7485 10.0754 10.0754 10.1773 10.1773 10.3133 10.3133 10.4900 10.4900 10.9892 10.9892 11.2839 11.2839 11.4168 11.4168 11.6257 11.6257 11.9820 11.9820 12.2896 12.2896 12.3170 12.3170 12.6796 12.6796 12.8994 12.8994 13.1986 13.1986 13.2891 13.2891 13.7244 13.7244 13.9159 13.9159 14.2884 14.2884 14.4750 14.4750 14.9358 14.9358 15.8932 15.8932 16.4464 16.4464 17.0807 17.0807 18.3321 18.3321 k = 0.1795 0.3109 0.6184 ( 3294 PWs) bands (ev): -19.6962 -19.6962 -2.6345 -2.6345 -1.5435 -1.5435 -1.5091 -1.5091 7.3219 7.3219 7.4626 7.4626 8.3943 8.3943 8.5859 8.5859 8.9578 8.9578 9.5969 9.5969 9.6892 9.6892 9.7542 9.7542 10.0763 10.0763 10.1577 10.1577 10.3042 10.3042 10.4669 10.4669 10.9818 10.9818 11.3451 11.3451 11.4406 11.4406 11.6798 11.6798 11.9835 11.9835 12.2955 12.2955 12.3182 12.3182 12.6831 12.6831 12.8866 12.8866 13.2277 13.2277 13.3029 13.3029 13.7418 13.7418 13.9753 13.9753 14.2592 14.2592 14.5163 14.5163 14.9716 14.9716 15.8979 15.8979 16.4324 16.4324 17.0684 17.0684 18.2244 18.2244 k = 0.1709 0.2961 0.6184 ( 3290 PWs) bands (ev): -19.6963 -19.6963 -2.6347 -2.6347 -1.5439 -1.5439 -1.5088 -1.5088 7.2627 7.2627 7.4310 7.4310 8.3786 8.3786 8.5617 8.5617 8.9835 8.9835 9.5998 9.5998 9.7075 9.7075 9.7593 9.7593 10.0739 10.0739 10.1418 10.1418 10.2958 10.2958 10.4491 10.4491 10.9708 10.9708 11.3986 11.3986 11.4640 11.4640 11.7477 11.7477 11.9825 11.9825 12.2729 12.2729 12.3463 12.3463 12.6846 12.6846 12.8749 12.8749 13.2620 13.2620 13.3245 13.3245 13.7584 13.7584 14.0232 14.0232 14.2447 14.2447 14.5576 14.5576 15.0066 15.0066 15.8980 15.8980 16.4133 16.4133 17.0538 17.0538 18.1179 18.1179 k = 0.1624 0.2813 0.6184 ( 3290 PWs) bands (ev): -19.6963 -19.6963 -2.6349 -2.6349 -1.5444 -1.5444 -1.5085 -1.5085 7.2049 7.2049 7.4005 7.4005 8.3634 8.3634 8.5375 8.5375 9.0028 9.0028 9.6034 9.6034 9.7258 9.7258 9.7641 9.7641 10.0638 10.0638 10.1346 10.1346 10.2890 10.2890 10.4372 10.4372 10.9587 10.9587 11.4412 11.4412 11.4869 11.4869 11.8270 11.8270 11.9789 11.9789 12.2469 12.2469 12.3775 12.3775 12.6824 12.6824 12.8657 12.8657 13.2951 13.2951 13.3603 13.3603 13.7745 13.7745 14.0492 14.0492 14.2548 14.2548 14.5988 14.5988 15.0407 15.0407 15.8932 15.8932 16.3898 16.3898 17.0369 17.0369 18.0127 18.0127 k = 0.1538 0.2665 0.6184 ( 3298 PWs) bands (ev): -19.6963 -19.6963 -2.6351 -2.6351 -1.5448 -1.5448 -1.5082 -1.5082 7.1486 7.1486 7.3712 7.3712 8.3487 8.3487 8.5136 8.5136 9.0148 9.0148 9.6084 9.6084 9.7433 9.7433 9.7695 9.7695 10.0448 10.0448 10.1372 10.1372 10.2845 10.2845 10.4308 10.4308 10.9467 10.9467 11.4739 11.4739 11.5094 11.5094 11.9126 11.9126 11.9727 11.9727 12.2195 12.2195 12.4107 12.4107 12.6752 12.6752 12.8600 12.8600 13.3233 13.3233 13.4142 13.4142 13.7903 13.7903 14.0513 14.0513 14.2912 14.2912 14.6396 14.6396 15.0736 15.0736 15.8833 15.8833 16.3624 16.3624 17.0177 17.0177 17.9089 17.9089 k = 0.1453 0.2517 0.6184 ( 3298 PWs) bands (ev): -19.6964 -19.6964 -2.6352 -2.6352 -1.5452 -1.5452 -1.5079 -1.5079 7.0941 7.0941 7.3432 7.3432 8.3345 8.3345 8.4901 8.4901 9.0195 9.0195 9.6153 9.6153 9.7573 9.7573 9.7781 9.7781 10.0207 10.0207 10.1458 10.1458 10.2834 10.2834 10.4293 10.4293 10.9352 10.9352 11.4991 11.4991 11.5315 11.5315 11.9630 11.9630 11.9994 11.9994 12.1929 12.1929 12.4453 12.4453 12.6628 12.6628 12.8588 12.8588 13.3497 13.3497 13.4825 13.4825 13.8059 13.8059 14.0402 14.0402 14.3434 14.3434 14.6799 14.6799 15.1050 15.1050 15.8684 15.8684 16.3320 16.3320 16.9964 16.9964 17.8067 17.8067 k = 0.1368 0.2369 0.6184 ( 3294 PWs) bands (ev): -19.6964 -19.6964 -2.6354 -2.6354 -1.5456 -1.5456 -1.5076 -1.5076 7.0415 7.0415 7.3165 7.3165 8.3209 8.3209 8.4672 8.4672 9.0172 9.0172 9.6241 9.6241 9.7646 9.7646 9.7929 9.7929 9.9945 9.9945 10.1570 10.1570 10.2863 10.2863 10.4318 10.4318 10.9243 10.9243 11.5187 11.5187 11.5535 11.5535 11.9507 11.9507 12.0765 12.0765 12.1741 12.1741 12.4799 12.4799 12.6464 12.6464 12.8621 12.8621 13.3769 13.3769 13.5611 13.5611 13.8214 13.8214 14.0252 14.0252 14.4022 14.4022 14.7195 14.7195 15.1347 15.1347 15.8485 15.8485 16.2990 16.2990 16.9732 16.9732 17.7062 17.7062 k = 0.1282 0.2221 0.6184 ( 3294 PWs) bands (ev): -19.6965 -19.6965 -2.6356 -2.6356 -1.5460 -1.5460 -1.5073 -1.5073 6.9910 6.9910 7.2911 7.2911 8.3078 8.3078 8.4450 8.4450 9.0087 9.0087 9.6346 9.6346 9.7680 9.7680 9.8113 9.8113 9.9680 9.9680 10.1688 10.1688 10.2937 10.2937 10.4381 10.4381 10.9142 10.9142 11.5342 11.5342 11.5749 11.5749 11.9348 11.9348 12.1076 12.1076 12.1983 12.1983 12.5110 12.5110 12.6303 12.6303 12.8698 12.8698 13.4061 13.4061 13.6471 13.6471 13.8372 13.8372 14.0111 14.0111 14.4632 14.4632 14.7582 14.7582 15.1625 15.1625 15.8238 15.8238 16.2640 16.2640 16.9483 16.9483 17.6076 17.6076 k = 0.1197 0.2073 0.6184 ( 3290 PWs) bands (ev): -19.6965 -19.6965 -2.6357 -2.6357 -1.5464 -1.5464 -1.5070 -1.5070 6.9429 6.9429 7.2672 7.2672 8.2953 8.2953 8.4239 8.4239 8.9951 8.9951 9.6461 9.6461 9.7699 9.7699 9.8309 9.8309 9.9420 9.9420 10.1799 10.1799 10.3058 10.3058 10.4477 10.4477 10.9048 10.9048 11.5470 11.5470 11.5956 11.5956 11.9154 11.9154 12.0933 12.0933 12.2631 12.2631 12.5288 12.5288 12.6246 12.6246 12.8817 12.8817 13.4375 13.4375 13.7364 13.7364 13.8545 13.8545 14.0009 14.0009 14.5247 14.5247 14.7959 14.7959 15.1879 15.1879 15.7946 15.7946 16.2276 16.2276 16.9219 16.9219 17.5112 17.5112 k = 0.1111 0.1925 0.6184 ( 3288 PWs) bands (ev): -19.6966 -19.6966 -2.6359 -2.6359 -1.5468 -1.5468 -1.5067 -1.5067 6.8973 6.8973 7.2448 7.2448 8.2834 8.2834 8.4038 8.4038 8.9778 8.9778 9.6580 9.6580 9.7710 9.7710 9.8506 9.8506 9.9171 9.9171 10.1898 10.1898 10.3221 10.3221 10.4604 10.4604 10.8960 10.8960 11.5577 11.5577 11.6154 11.6154 11.8929 11.8929 12.0729 12.0729 12.3274 12.3274 12.5237 12.5237 12.6402 12.6402 12.8978 12.8978 13.4711 13.4711 13.8163 13.8163 13.8799 13.8799 13.9999 13.9999 14.5856 14.5856 14.8324 14.8324 15.2109 15.2109 15.7614 15.7614 16.1900 16.1900 16.8944 16.8944 17.4171 17.4171 k = 0.1026 0.1776 0.6184 ( 3284 PWs) bands (ev): -19.6966 -19.6966 -2.6360 -2.6360 -1.5472 -1.5472 -1.5063 -1.5063 6.8543 6.8543 7.2238 7.2238 8.2720 8.2720 8.3850 8.3850 8.9578 8.9578 9.6696 9.6696 9.7715 9.7715 9.8700 9.8700 9.8936 9.8936 10.1984 10.1984 10.3417 10.3417 10.4759 10.4759 10.8875 10.8875 11.5671 11.5671 11.6341 11.6341 11.8682 11.8682 12.0526 12.0526 12.3799 12.3799 12.5083 12.5083 12.6681 12.6681 12.9183 12.9183 13.5067 13.5067 13.8580 13.8580 13.9215 13.9215 14.0275 14.0275 14.6456 14.6456 14.8677 14.8677 15.2311 15.2311 15.7248 15.7248 16.1517 16.1517 16.8661 16.8661 17.3256 17.3256 k = 0.0940 0.1628 0.6184 ( 3284 PWs) bands (ev): -19.6967 -19.6967 -2.6361 -2.6361 -1.5476 -1.5476 -1.5060 -1.5060 6.8142 6.8142 7.2044 7.2044 8.2613 8.2613 8.3676 8.3676 8.9364 8.9364 9.6805 9.6805 9.7717 9.7717 9.8718 9.8718 9.8888 9.8888 10.2063 10.2063 10.3634 10.3634 10.4940 10.4940 10.8794 10.8794 11.5755 11.5755 11.6517 11.6517 11.8423 11.8423 12.0332 12.0332 12.4048 12.4048 12.5074 12.5074 12.6977 12.6977 12.9432 12.9432 13.5438 13.5438 13.8767 13.8767 13.9417 13.9417 14.1047 14.1047 14.7042 14.7042 14.9016 14.9016 15.2482 15.2482 15.6857 15.6857 16.1130 16.1130 16.8374 16.8374 17.2371 17.2371 k = 0.0855 0.1480 0.6184 ( 3284 PWs) bands (ev): -19.6967 -19.6967 -2.6363 -2.6363 -1.5480 -1.5480 -1.5057 -1.5057 6.7771 6.7771 7.1865 7.1865 8.2511 8.2511 8.3517 8.3517 8.9144 8.9144 9.6905 9.6905 9.7715 9.7715 9.8519 9.8519 9.9063 9.9063 10.2138 10.2138 10.3861 10.3861 10.5144 10.5144 10.8714 10.8714 11.5833 11.5833 11.6679 11.6679 11.8165 11.8165 12.0143 12.0143 12.3927 12.3927 12.5345 12.5345 12.7249 12.7249 12.9720 12.9720 13.5818 13.5818 13.8904 13.8904 13.9480 13.9480 14.2040 14.2040 14.7614 14.7614 14.9340 14.9340 15.2621 15.2621 15.6450 15.6450 16.0742 16.0742 16.8088 16.8088 17.1519 17.1519 k = 0.0769 0.1332 0.6184 ( 3292 PWs) bands (ev): -19.6967 -19.6967 -2.6364 -2.6364 -1.5483 -1.5483 -1.5053 -1.5053 6.7430 6.7430 7.1703 7.1703 8.2415 8.2415 8.3374 8.3374 8.8927 8.8927 9.6993 9.6993 9.7712 9.7712 9.8340 9.8340 9.9224 9.9224 10.2214 10.2214 10.4088 10.4088 10.5366 10.5366 10.8633 10.8633 11.5911 11.5911 11.6824 11.6824 11.7920 11.7920 11.9955 11.9955 12.3645 12.3645 12.5708 12.5708 12.7486 12.7486 13.0034 13.0034 13.6201 13.6201 13.9025 13.9025 13.9524 13.9524 14.3080 14.3080 14.8167 14.8167 14.9648 14.9648 15.2726 15.2726 15.6036 15.6036 16.0357 16.0357 16.7805 16.7805 17.0704 17.0704 k = 0.0684 0.1184 0.6184 ( 3286 PWs) bands (ev): -19.6968 -19.6968 -2.6365 -2.6365 -1.5487 -1.5487 -1.5050 -1.5050 6.7123 6.7123 7.1557 7.1557 8.2326 8.2326 8.3247 8.3247 8.8718 8.8718 9.7069 9.7069 9.7707 9.7707 9.8180 9.8180 9.9367 9.9367 10.2291 10.2291 10.4308 10.4308 10.5601 10.5601 10.8551 10.8551 11.5991 11.5991 11.6943 11.6943 11.7705 11.7705 11.9761 11.9761 12.3324 12.3324 12.6058 12.6058 12.7690 12.7690 13.0357 13.0357 13.6579 13.6579 13.9137 13.9137 13.9577 13.9577 14.4109 14.4109 14.8696 14.8696 14.9943 14.9943 15.2794 15.2794 15.5626 15.5626 15.9981 15.9981 16.7532 16.7532 16.9932 16.9932 k = 0.0598 0.1036 0.6184 ( 3282 PWs) bands (ev): -19.6968 -19.6968 -2.6366 -2.6366 -1.5489 -1.5489 -1.5048 -1.5048 6.6849 6.6849 7.1427 7.1427 8.2245 8.2245 8.3136 8.3136 8.8524 8.8524 9.7134 9.7134 9.7700 9.7700 9.8042 9.8042 9.9490 9.9490 10.2369 10.2369 10.4514 10.4514 10.5843 10.5843 10.8463 10.8463 11.6076 11.6076 11.7012 11.7012 11.7551 11.7551 11.9560 11.9560 12.3003 12.3003 12.6368 12.6368 12.7866 12.7866 13.0672 13.0672 13.6942 13.6942 13.9247 13.9247 13.9640 13.9640 14.5094 14.5094 14.9191 14.9191 15.0228 15.0228 15.2828 15.2828 15.5232 15.5232 15.9619 15.9619 16.7271 16.7271 16.9211 16.9211 k = 0.0513 0.0888 0.6184 ( 3286 PWs) bands (ev): -19.6968 -19.6968 -2.6366 -2.6366 -1.5492 -1.5492 -1.5045 -1.5045 6.6609 6.6609 7.1314 7.1314 8.2171 8.2171 8.3042 8.3042 8.8348 8.8348 9.7186 9.7186 9.7692 9.7692 9.7925 9.7925 9.9593 9.9593 10.2447 10.2447 10.4702 10.4702 10.6089 10.6089 10.8369 10.8369 11.6170 11.6170 11.6994 11.6994 11.7501 11.7501 11.9348 11.9348 12.2701 12.2701 12.6630 12.6630 12.8020 12.8020 13.0965 13.0965 13.7281 13.7281 13.9354 13.9354 13.9712 13.9712 14.6011 14.6011 14.9630 14.9630 15.0515 15.0515 15.2829 15.2829 15.4862 15.4862 15.9280 15.9280 16.7025 16.7025 16.8550 16.8550 k = 0.0427 0.0740 0.6184 ( 3286 PWs) bands (ev): -19.6968 -19.6968 -2.6367 -2.6367 -1.5494 -1.5494 -1.5043 -1.5043 6.6405 6.6405 7.1218 7.1218 8.2107 8.2107 8.2963 8.2963 8.8195 8.8195 9.7227 9.7227 9.7681 9.7681 9.7831 9.7831 9.9677 9.9677 10.2521 10.2521 10.4866 10.4866 10.6332 10.6332 10.8266 10.8266 11.6272 11.6272 11.6907 11.6907 11.7540 11.7540 11.9124 11.9124 12.2431 12.2431 12.6843 12.6843 12.8157 12.8157 13.1225 13.1225 13.7584 13.7584 13.9458 13.9458 13.9788 13.9788 14.6840 14.6840 14.9984 14.9984 15.0821 15.0821 15.2804 15.2804 15.4527 15.4527 15.8970 15.8970 16.6797 16.6797 16.7965 16.7965 k = 0.0342 0.0592 0.6184 ( 3296 PWs) bands (ev): -19.6969 -19.6969 -2.6368 -2.6368 -1.5496 -1.5496 -1.5041 -1.5041 6.6237 6.6237 7.1140 7.1140 8.2053 8.2053 8.2899 8.2899 8.8065 8.8065 9.7257 9.7257 9.7664 9.7664 9.7766 9.7766 9.9742 9.9742 10.2589 10.2589 10.5004 10.5004 10.6568 10.6568 10.8153 10.8153 11.6380 11.6380 11.6810 11.6810 11.7614 11.7614 11.8893 11.8893 12.2200 12.2200 12.7008 12.7008 12.8275 12.8275 13.1444 13.1444 13.7843 13.7843 13.9557 13.9557 13.9863 13.9863 14.7563 14.7563 15.0229 15.0229 15.1150 15.1150 15.2762 15.2762 15.4236 15.4236 15.8699 15.8699 16.6584 16.6584 16.7471 16.7471 k = 0.0256 0.0444 0.6184 ( 3300 PWs) bands (ev): -19.6969 -19.6969 -2.6368 -2.6368 -1.5498 -1.5498 -1.5039 -1.5039 6.6105 6.6105 7.1078 7.1078 8.2010 8.2010 8.2851 8.2851 8.7963 8.7963 9.7277 9.7277 9.7638 9.7638 9.7730 9.7730 9.9791 9.9791 10.2647 10.2647 10.5114 10.5114 10.6794 10.6794 10.8028 10.8028 11.6480 11.6480 11.6738 11.6738 11.7699 11.7699 11.8660 11.8660 12.2016 12.2016 12.7131 12.7131 12.8373 12.8373 13.1619 13.1619 13.8049 13.8049 13.9644 13.9644 13.9930 13.9930 14.8164 14.8164 15.0374 15.0374 15.1469 15.1469 15.2718 15.2718 15.3995 15.3995 15.8476 15.8476 16.6385 16.6385 16.7092 16.7092 k = 0.0171 0.0296 0.6184 ( 3296 PWs) bands (ev): -19.6969 -19.6969 -2.6368 -2.6368 -1.5499 -1.5499 -1.5038 -1.5038 6.6011 6.6011 7.1034 7.1034 8.1978 8.1978 8.2816 8.2816 8.7888 8.7888 9.7289 9.7289 9.7612 9.7612 9.7714 9.7714 9.9825 9.9825 10.2691 10.2691 10.5192 10.5192 10.7001 10.7001 10.7896 10.7896 11.6537 11.6537 11.6724 11.6724 11.7792 11.7792 11.8436 11.8436 12.1883 12.1883 12.7215 12.7215 12.8447 12.8447 13.1745 13.1745 13.8198 13.8198 13.9713 13.9713 13.9985 13.9985 14.8626 14.8626 15.0442 15.0442 15.1732 15.1732 15.2683 15.2683 15.3812 15.3812 15.8310 15.8310 16.6207 16.6207 16.6839 16.6839 k = 0.0085 0.0148 0.6184 ( 3292 PWs) bands (ev): -19.6969 -19.6969 -2.6369 -2.6369 -1.5500 -1.5500 -1.5037 -1.5037 6.5954 6.5954 7.1008 7.1008 8.1959 8.1959 8.2796 8.2796 8.7843 8.7843 9.7294 9.7294 9.7595 9.7595 9.7707 9.7707 9.9844 9.9844 10.2719 10.2719 10.5240 10.5240 10.7172 10.7172 10.7771 10.7771 11.6540 11.6540 11.6762 11.6762 11.7898 11.7898 11.8235 11.8235 12.1802 12.1802 12.7263 12.7263 12.8492 12.8492 13.1821 13.1821 13.8288 13.8288 13.9757 13.9757 14.0021 14.0021 14.8925 14.8925 15.0460 15.0460 15.1902 15.1902 15.2665 15.2665 15.3695 15.3695 15.8206 15.8206 16.6077 16.6077 16.6701 16.6701 k = 0.0000 0.0000 0.6184 ( 3280 PWs) bands (ev): -19.6969 -19.6969 -2.6369 -2.6369 -1.5500 -1.5500 -1.5037 -1.5037 6.5936 6.5936 7.0999 7.0999 8.1953 8.1953 8.2789 8.2789 8.7828 8.7828 9.7295 9.7295 9.7590 9.7590 9.7705 9.7705 9.9851 9.9851 10.2728 10.2728 10.5256 10.5256 10.7251 10.7251 10.7708 10.7708 11.6535 11.6535 11.6784 11.6784 11.7988 11.7988 11.8109 11.8109 12.1775 12.1775 12.7279 12.7279 12.8508 12.8508 13.1846 13.1846 13.8317 13.8317 13.9773 13.9773 14.0034 14.0034 14.9030 14.9030 15.0460 15.0460 15.1961 15.1961 15.2661 15.2661 15.3655 15.3655 15.8171 15.8171 16.6030 16.6030 16.6658 16.6658 k = 0.5000 0.2887 0.6184 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6335 -2.6335 -1.5428 -1.5428 -1.5087 -1.5087 7.6376 7.6376 7.7388 7.7388 8.6491 8.6491 8.6630 8.6630 8.9701 8.9701 9.4409 9.4409 9.5228 9.5228 10.0788 10.0788 10.1974 10.1974 10.2773 10.2773 10.3609 10.3609 10.6751 10.6751 10.7609 10.7609 10.7676 10.7676 11.2206 11.2206 11.4214 11.4214 11.5971 11.5971 12.0773 12.0773 12.1118 12.1118 12.8567 12.8567 12.9141 12.9141 13.1284 13.1284 13.1969 13.1969 13.4673 13.4673 13.9578 13.9578 14.1112 14.1112 14.4729 14.4729 15.0800 15.0800 15.4564 15.4564 17.2349 17.2349 17.6672 17.6672 18.2298 18.2298 k = 0.5000 0.2887 0.6012 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6334 -2.6334 -1.5427 -1.5427 -1.5087 -1.5087 7.6320 7.6320 7.7375 7.7375 8.6497 8.6497 8.6686 8.6686 8.9725 8.9725 9.4401 9.4401 9.5238 9.5238 10.0779 10.0779 10.1890 10.1890 10.2813 10.2813 10.3642 10.3642 10.6676 10.6676 10.7604 10.7604 10.7750 10.7750 11.2199 11.2199 11.4201 11.4201 11.5993 11.5993 12.0705 12.0705 12.1160 12.1160 12.8551 12.8551 12.9146 12.9146 13.1292 13.1292 13.1983 13.1983 13.4592 13.4592 13.9584 13.9584 14.1046 14.1046 14.4891 14.4891 15.0781 15.0781 15.4662 15.4662 17.2305 17.2305 17.6598 17.6598 18.2395 18.2395 k = 0.5000 0.2887 0.5840 ( 3284 PWs) bands (ev): -19.6959 -19.6959 -2.6333 -2.6333 -1.5424 -1.5424 -1.5088 -1.5088 7.6158 7.6158 7.7338 7.7338 8.6518 8.6518 8.6846 8.6846 8.9797 8.9797 9.4377 9.4377 9.5267 9.5267 10.0751 10.0751 10.1686 10.1686 10.2890 10.2890 10.3735 10.3735 10.6502 10.6502 10.7569 10.7569 10.7940 10.7940 11.2177 11.2177 11.4165 11.4165 11.6056 11.6056 12.0555 12.0555 12.1233 12.1233 12.8504 12.8504 12.9158 12.9158 13.1318 13.1318 13.2016 13.2016 13.4374 13.4374 13.9590 13.9590 14.0880 14.0880 14.5347 14.5347 15.0724 15.0724 15.4952 15.4952 17.2176 17.2176 17.6386 17.6386 18.2674 18.2674 k = 0.5000 0.2887 0.5668 ( 3284 PWs) bands (ev): -19.6960 -19.6960 -2.6331 -2.6331 -1.5419 -1.5419 -1.5089 -1.5089 7.5898 7.5898 7.7278 7.7278 8.6558 8.6558 8.7092 8.7092 8.9912 8.9912 9.4337 9.4337 9.5317 9.5317 10.0704 10.0704 10.1426 10.1426 10.2960 10.2960 10.3871 10.3871 10.6289 10.6289 10.7508 10.7508 10.8178 10.8178 11.2148 11.2148 11.4115 11.4115 11.6151 11.6151 12.0374 12.0374 12.1291 12.1291 12.8430 12.8430 12.9165 12.9165 13.1372 13.1372 13.2038 13.2038 13.4094 13.4094 13.9564 13.9564 14.0671 14.0671 14.6032 14.6032 15.0628 15.0628 15.5422 15.5422 17.1977 17.1977 17.6055 17.6055 18.3106 18.3106 k = 0.5000 0.2887 0.5496 ( 3272 PWs) bands (ev): -19.6960 -19.6960 -2.6329 -2.6329 -1.5413 -1.5413 -1.5090 -1.5090 7.5558 7.5558 7.7200 7.7200 8.6615 8.6615 8.7408 8.7408 9.0068 9.0068 9.4283 9.4283 9.5387 9.5387 10.0634 10.0634 10.1145 10.1145 10.3014 10.3014 10.4028 10.4028 10.6065 10.6065 10.7421 10.7421 10.8429 10.8429 11.2120 11.2120 11.4058 11.4058 11.6267 11.6267 12.0179 12.0179 12.1323 12.1323 12.8330 12.8330 12.9160 12.9160 13.1457 13.1457 13.1992 13.1992 13.3862 13.3862 13.9477 13.9477 14.0465 14.0465 14.6886 14.6886 15.0495 15.0495 15.6053 15.6053 17.1726 17.1726 17.5629 17.5629 18.3660 18.3660 k = 0.5000 0.2887 0.5325 ( 3272 PWs) bands (ev): -19.6961 -19.6961 -2.6326 -2.6326 -1.5405 -1.5405 -1.5091 -1.5091 7.5152 7.5152 7.7107 7.7107 8.6690 8.6690 8.7773 8.7773 9.0258 9.0258 9.4216 9.4216 9.5479 9.5479 10.0532 10.0532 10.0873 10.0873 10.3054 10.3054 10.4184 10.4184 10.5841 10.5841 10.7311 10.7311 10.8671 10.8671 11.2106 11.2106 11.4000 11.4000 11.6392 11.6392 11.9982 11.9982 12.1327 12.1327 12.8204 12.8204 12.9141 12.9141 13.1571 13.1571 13.1814 13.1814 13.3790 13.3790 13.9325 13.9325 14.0282 14.0282 14.7862 14.7862 15.0327 15.0327 15.6824 15.6824 17.1443 17.1443 17.5128 17.5128 18.4308 18.4308 k = 0.5000 0.2887 0.5153 ( 3272 PWs) bands (ev): -19.6962 -19.6962 -2.6322 -2.6322 -1.5396 -1.5396 -1.5092 -1.5092 7.4697 7.4697 7.7001 7.7001 8.6783 8.6783 8.8167 8.8167 9.0476 9.0476 9.4138 9.4138 9.5593 9.5593 10.0369 10.0369 10.0647 10.0647 10.3080 10.3080 10.4322 10.4322 10.5627 10.5627 10.7181 10.7181 10.8887 10.8887 11.2123 11.2123 11.3945 11.3945 11.6518 11.6518 11.9789 11.9789 12.1306 12.1306 12.8050 12.8050 12.9110 12.9110 13.1501 13.1501 13.1711 13.1711 13.3911 13.3911 13.9126 13.9126 14.0113 14.0113 14.8909 14.8909 15.0146 15.0146 15.7710 15.7710 17.1147 17.1147 17.4569 17.4569 18.5028 18.5028 k = 0.5000 0.2887 0.4981 ( 3268 PWs) bands (ev): -19.6963 -19.6963 -2.6318 -2.6318 -1.5386 -1.5386 -1.5093 -1.5093 7.4207 7.4207 7.6889 7.6889 8.6891 8.6891 8.8568 8.8568 9.0715 9.0715 9.4051 9.4051 9.5728 9.5728 10.0136 10.0136 10.0486 10.0486 10.3093 10.3093 10.4428 10.4428 10.5431 10.5431 10.7037 10.7037 10.9061 10.9061 11.2187 11.2187 11.3894 11.3894 11.6640 11.6640 11.9606 11.9606 12.1266 12.1266 12.7867 12.7867 12.9077 12.9077 13.1129 13.1129 13.1857 13.1857 13.4178 13.4178 13.8911 13.8911 13.9940 13.9940 14.9628 14.9628 15.0327 15.0327 15.8688 15.8688 17.0856 17.0856 17.3968 17.3968 18.5803 18.5803 k = 0.5000 0.2887 0.4809 ( 3278 PWs) bands (ev): -19.6964 -19.6964 -2.6313 -2.6313 -1.5375 -1.5375 -1.5093 -1.5093 7.3694 7.3694 7.6772 7.6772 8.7017 8.7017 8.8957 8.8957 9.0969 9.0969 9.3960 9.3960 9.5885 9.5885 9.9879 9.9879 10.0350 10.0350 10.3086 10.3086 10.4482 10.4482 10.5268 10.5268 10.6888 10.6888 10.9185 10.9185 11.2308 11.2308 11.3848 11.3848 11.6753 11.6753 11.9436 11.9436 12.1216 12.1216 12.7653 12.7653 12.9049 12.9049 13.0754 13.0754 13.2009 13.2009 13.4533 13.4533 13.8708 13.8708 13.9751 13.9751 14.9445 14.9445 15.1425 15.1425 15.9729 15.9729 17.0585 17.0585 17.3344 17.3344 18.6619 18.6619 k = 0.5000 0.2887 0.4638 ( 3278 PWs) bands (ev): -19.6965 -19.6965 -2.6308 -2.6308 -1.5363 -1.5363 -1.5093 -1.5093 7.3165 7.3165 7.6656 7.6656 8.7159 8.7159 8.9314 8.9314 9.1231 9.1231 9.3871 9.3871 9.6061 9.6061 9.9627 9.9627 10.0216 10.0216 10.3051 10.3051 10.4469 10.4469 10.5147 10.5147 10.6749 10.6749 10.9260 10.9260 11.2485 11.2485 11.3811 11.3811 11.6853 11.6853 11.9282 11.9282 12.1168 12.1168 12.7411 12.7411 12.9036 12.9036 13.0413 13.0413 13.2160 13.2160 13.4929 13.4929 13.8543 13.8543 13.9544 13.9544 14.9115 14.9115 15.2675 15.2675 16.0804 16.0804 17.0345 17.0345 17.2721 17.2721 18.7467 18.7467 k = 0.5000 0.2887 0.4466 ( 3278 PWs) bands (ev): -19.6966 -19.6966 -2.6302 -2.6302 -1.5352 -1.5352 -1.5090 -1.5090 7.2629 7.2629 7.6543 7.6543 8.7316 8.7316 8.9621 8.9621 9.1496 9.1496 9.3792 9.3792 9.6251 9.6251 9.9390 9.9390 10.0076 10.0076 10.2978 10.2978 10.4396 10.4396 10.5058 10.5058 10.6636 10.6636 10.9299 10.9299 11.2701 11.2701 11.3792 11.3792 11.6940 11.6940 11.9144 11.9144 12.1130 12.1130 12.7147 12.7147 12.9041 12.9041 13.0119 13.0119 13.2310 13.2310 13.5313 13.5313 13.8447 13.8447 13.9320 13.9320 14.8728 14.8728 15.3974 15.3974 16.1869 16.1869 17.0140 17.0140 17.2137 17.2137 18.8338 18.8338 k = 0.5000 0.2887 0.4294 ( 3282 PWs) bands (ev): -19.6967 -19.6967 -2.6296 -2.6296 -1.5342 -1.5342 -1.5086 -1.5086 7.2092 7.2092 7.6436 7.6436 8.7490 8.7490 8.9864 8.9864 9.1755 9.1755 9.3732 9.3732 9.6450 9.6450 9.9173 9.9173 9.9928 9.9928 10.2859 10.2859 10.4292 10.4292 10.4971 10.4971 10.6560 10.6560 10.9319 10.9319 11.2922 11.2922 11.3814 11.3814 11.7011 11.7011 11.9022 11.9022 12.1115 12.1115 12.6870 12.6870 12.9067 12.9067 12.9878 12.9878 13.2455 13.2455 13.5624 13.5624 13.8450 13.8450 13.9100 13.9100 14.8295 14.8295 15.5303 15.5303 16.2870 16.2870 16.9953 16.9953 17.1667 17.1667 18.9224 18.9224 k = 0.5000 0.2887 0.4122 ( 3294 PWs) bands (ev): -19.6969 -19.6969 -2.6290 -2.6290 -1.5333 -1.5333 -1.5080 -1.5080 7.1558 7.1558 7.6338 7.6338 8.7679 8.7679 9.0033 9.0033 9.1995 9.1995 9.3702 9.3702 9.6644 9.6644 9.8976 9.8976 9.9774 9.9774 10.2691 10.2691 10.4176 10.4176 10.4878 10.4878 10.6521 10.6521 10.9339 10.9339 11.3096 11.3096 11.3917 11.3917 11.7067 11.7067 11.8920 11.8920 12.1128 12.1128 12.6594 12.6594 12.9110 12.9110 12.9686 12.9686 13.2597 13.2597 13.5806 13.5806 13.8489 13.8489 13.8996 13.8996 14.7821 14.7821 15.6652 15.6652 16.3728 16.3728 16.9727 16.9727 17.1449 17.1449 19.0120 19.0120 k = 0.5000 0.2887 0.3951 ( 3294 PWs) bands (ev): -19.6970 -19.6970 -2.6283 -2.6283 -1.5326 -1.5326 -1.5071 -1.5071 7.1031 7.1031 7.6252 7.6252 8.7884 8.7884 9.0126 9.0126 9.2201 9.2201 9.3713 9.3713 9.6820 9.6820 9.8800 9.8800 9.9613 9.9613 10.2482 10.2482 10.4054 10.4054 10.4789 10.4789 10.6506 10.6506 10.9374 10.9374 11.3187 11.3187 11.4130 11.4130 11.7106 11.7106 11.8845 11.8845 12.1173 12.1173 12.6332 12.6332 12.9159 12.9159 12.9548 12.9548 13.2734 13.2734 13.5843 13.5843 13.8327 13.8327 13.9250 13.9250 14.7309 14.7309 15.8012 15.8012 16.4347 16.4347 16.9421 16.9421 17.1615 17.1615 19.1021 19.1021 k = 0.5000 0.2887 0.3779 ( 3294 PWs) bands (ev): -19.6972 -19.6972 -2.6276 -2.6276 -1.5321 -1.5321 -1.5059 -1.5059 7.0515 7.0515 7.6179 7.6179 8.8103 8.8103 9.0148 9.0148 9.2362 9.2362 9.3771 9.3771 9.6958 9.6958 9.8641 9.8641 9.9446 9.9446 10.2247 10.2247 10.3925 10.3925 10.4718 10.4718 10.6501 10.6501 10.9432 10.9432 11.3222 11.3222 11.4421 11.4421 11.7129 11.7129 11.8803 11.8803 12.1249 12.1249 12.6093 12.6093 12.9178 12.9178 12.9489 12.9489 13.2867 13.2867 13.5767 13.5767 13.8046 13.8046 13.9747 13.9747 14.6762 14.6762 15.9370 15.9370 16.4656 16.4656 16.9097 16.9097 17.2178 17.2178 19.1922 19.1922 k = 0.5000 0.2887 0.3607 ( 3290 PWs) bands (ev): -19.6973 -19.6973 -2.6269 -2.6269 -1.5318 -1.5318 -1.5044 -1.5044 7.0012 7.0012 7.6121 7.6121 8.8337 8.8337 9.0107 9.0107 9.2471 9.2471 9.3872 9.3872 9.7037 9.7037 9.8494 9.8494 9.9275 9.9275 10.2007 10.2007 10.3796 10.3796 10.4670 10.4670 10.6499 10.6499 10.9516 10.9516 11.3241 11.3241 11.4747 11.4747 11.7141 11.7141 11.8805 11.8805 12.1353 12.1353 12.5886 12.5886 12.9131 12.9131 12.9534 12.9534 13.2993 13.2993 13.5619 13.5619 13.7728 13.7728 14.0358 14.0358 14.6184 14.6184 16.0707 16.0707 16.4661 16.4661 16.8831 16.8831 17.3065 17.3065 19.2819 19.2819 k = 0.5000 0.2887 0.3435 ( 3290 PWs) bands (ev): -19.6975 -19.6975 -2.6262 -2.6262 -1.5318 -1.5318 -1.5026 -1.5026 6.9524 6.9524 7.6079 7.6079 8.8585 8.8585 9.0014 9.0014 9.2535 9.2535 9.3999 9.3999 9.7037 9.7037 9.8351 9.8351 9.9100 9.9100 10.1789 10.1789 10.3676 10.3676 10.4637 10.4637 10.6497 10.6497 10.9619 10.9619 11.3272 11.3272 11.5078 11.5078 11.7153 11.7153 11.8854 11.8854 12.1478 12.1478 12.5717 12.5717 12.9052 12.9052 12.9641 12.9641 13.3112 13.3112 13.5428 13.5428 13.7391 13.7391 14.1031 14.1031 14.5580 14.5580 16.1963 16.1963 16.4475 16.4475 16.8647 16.8647 17.4184 17.4184 19.3706 19.3706 k = 0.5000 0.2887 0.3264 ( 3290 PWs) bands (ev): -19.6977 -19.6977 -2.6255 -2.6255 -1.5320 -1.5320 -1.5005 -1.5005 6.9053 6.9053 7.6054 7.6054 8.8845 8.8845 8.9882 8.9882 9.2564 9.2564 9.4137 9.4137 9.6943 9.6943 9.8203 9.8203 9.8919 9.8919 10.1612 10.1612 10.3569 10.3569 10.4614 10.4614 10.6504 10.6504 10.9729 10.9729 11.3333 11.3333 11.5391 11.5391 11.7185 11.7185 11.8952 11.8952 12.1618 12.1618 12.5590 12.5590 12.8966 12.8966 12.9775 12.9775 13.3221 13.3221 13.5215 13.5215 13.7045 13.7045 14.1739 14.1739 14.4955 14.4955 16.2840 16.2840 16.4478 16.4478 16.8535 16.8535 17.5452 17.5452 19.4579 19.4579 k = 0.5000 0.2887 0.3092 ( 3288 PWs) bands (ev): -19.6978 -19.6978 -2.6248 -2.6248 -1.5323 -1.5323 -1.4983 -1.4983 6.8600 6.8600 7.6047 7.6047 8.9118 8.9118 8.9721 8.9721 9.2567 9.2567 9.4270 9.4270 9.6747 9.6747 9.8047 9.8047 9.8737 9.8737 10.1489 10.1489 10.3473 10.3473 10.4596 10.4596 10.6528 10.6528 10.9834 10.9834 11.3431 11.3431 11.5665 11.5665 11.7267 11.7267 11.9095 11.9095 12.1768 12.1768 12.5507 12.5507 12.8879 12.8879 12.9922 12.9922 13.3317 13.3317 13.4991 13.4991 13.6693 13.6693 14.2460 14.2460 14.4317 14.4317 16.2768 16.2768 16.5306 16.5306 16.8474 16.8474 17.6807 17.6807 19.5428 19.5428 k = 0.5000 0.2887 0.2920 ( 3296 PWs) bands (ev): -19.6980 -19.6980 -2.6241 -2.6241 -1.5327 -1.5327 -1.4959 -1.4959 6.8167 6.8167 7.6058 7.6058 8.9402 8.9402 8.9540 8.9540 9.2553 9.2553 9.4387 9.4387 9.6455 9.6455 9.7881 9.7881 9.8556 9.8556 10.1415 10.1415 10.3378 10.3378 10.4581 10.4581 10.6578 10.6578 10.9924 10.9924 11.3571 11.3571 11.5883 11.5883 11.7427 11.7427 11.9280 11.9280 12.1922 12.1922 12.5467 12.5467 12.8791 12.8791 13.0075 13.0075 13.3393 13.3393 13.4767 13.4767 13.6340 13.6340 14.3149 14.3149 14.3707 14.3707 16.2232 16.2232 16.6513 16.6513 16.8451 16.8451 17.8204 17.8204 19.6228 19.6228 k = 0.5000 0.2887 0.2748 ( 3286 PWs) bands (ev): -19.6982 -19.6982 -2.6234 -2.6234 -1.5333 -1.5333 -1.4934 -1.4934 6.7755 6.7755 7.6087 7.6087 8.9347 8.9347 8.9695 8.9695 9.2526 9.2526 9.4478 9.4478 9.6087 9.6087 9.7707 9.7707 9.8381 9.8381 10.1379 10.1379 10.3273 10.3273 10.4573 10.4573 10.6658 10.6658 10.9993 10.9993 11.3746 11.3746 11.6048 11.6048 11.7673 11.7673 11.9501 11.9501 12.2079 12.2079 12.5467 12.5467 12.8698 12.8698 13.0230 13.0230 13.3441 13.3441 13.4554 13.4554 13.5992 13.5992 14.2943 14.2943 14.3982 14.3982 16.1579 16.1579 16.7777 16.7777 16.8455 16.8455 17.9607 17.9607 19.6828 19.6828 k = 0.5000 0.2887 0.2576 ( 3292 PWs) bands (ev): -19.6983 -19.6983 -2.6227 -2.6227 -1.5339 -1.5339 -1.4909 -1.4909 6.7365 6.7365 7.6133 7.6133 8.9148 8.9148 8.9995 8.9995 9.2491 9.2491 9.4523 9.4523 9.5685 9.5685 9.7525 9.7525 9.8212 9.8212 10.1362 10.1362 10.3153 10.3153 10.4573 10.4573 10.6767 10.6767 11.0042 11.0042 11.3944 11.3944 11.6189 11.6189 11.7991 11.7991 11.9756 11.9756 12.2235 12.2235 12.5503 12.5503 12.8598 12.8598 13.0380 13.0380 13.3448 13.3448 13.4362 13.4362 13.5656 13.5656 14.2294 14.2294 14.4689 14.4689 16.0887 16.0887 16.8467 16.8467 16.9049 16.9049 18.0982 18.0982 19.6788 19.6788 k = 0.5000 0.2887 0.2405 ( 3298 PWs) bands (ev): -19.6985 -19.6985 -2.6221 -2.6221 -1.5346 -1.5346 -1.4883 -1.4883 6.6997 6.6997 7.6197 7.6197 8.8948 8.8948 9.0298 9.0298 9.2452 9.2452 9.4462 9.4462 9.5331 9.5331 9.7338 9.7338 9.8046 9.8046 10.1346 10.1346 10.3020 10.3020 10.4579 10.4579 10.6899 10.6899 11.0076 11.0076 11.4146 11.4146 11.6340 11.6340 11.8358 11.8358 12.0043 12.0043 12.2391 12.2391 12.5568 12.5568 12.8489 12.8489 13.0523 13.0523 13.3399 13.3399 13.4201 13.4201 13.5343 13.5343 14.1637 14.1637 14.5396 14.5396 16.0184 16.0184 16.8505 16.8505 17.0282 17.0282 18.2299 18.2299 19.6442 19.6442 k = 0.5000 0.2887 0.2233 ( 3284 PWs) bands (ev): -19.6987 -19.6987 -2.6214 -2.6214 -1.5353 -1.5353 -1.4858 -1.4858 6.6652 6.6652 7.6277 7.6277 8.8751 8.8751 9.0598 9.0598 9.2415 9.2415 9.4197 9.4197 9.5148 9.5148 9.7151 9.7151 9.7881 9.7881 10.1310 10.1310 10.2891 10.2891 10.4588 10.4588 10.7045 10.7045 11.0101 11.0101 11.4334 11.4334 11.6529 11.6529 11.8757 11.8757 12.0359 12.0359 12.2547 12.2547 12.5656 12.5656 12.8368 12.8368 13.0651 13.0651 13.3293 13.3293 13.4059 13.4059 13.5070 13.5070 14.0988 14.0988 14.6084 14.6084 15.9486 15.9486 16.8551 16.8551 17.1480 17.1480 18.3521 18.3521 19.6053 19.6053 k = 0.5000 0.2887 0.2061 ( 3276 PWs) bands (ev): -19.6988 -19.6988 -2.6209 -2.6209 -1.5360 -1.5360 -1.4833 -1.4833 6.6331 6.6331 7.6371 7.6371 8.8560 8.8560 9.0884 9.0884 9.2385 9.2385 9.3772 9.3772 9.5117 9.5117 9.6965 9.6965 9.7716 9.7716 10.1230 10.1230 10.2789 10.2789 10.4593 10.4593 10.7195 10.7195 11.0123 11.0123 11.4494 11.4494 11.6773 11.6773 11.9174 11.9174 12.0703 12.0703 12.2704 12.2704 12.5758 12.5758 12.8235 12.8235 13.0760 13.0760 13.3147 13.3147 13.3903 13.3903 13.4856 13.4856 14.0359 14.0359 14.6748 14.6748 15.8803 15.8803 16.8604 16.8604 17.2631 17.2631 18.4615 18.4615 19.5666 19.5666 k = 0.5000 0.2887 0.1889 ( 3276 PWs) bands (ev): -19.6990 -19.6990 -2.6203 -2.6203 -1.5367 -1.5367 -1.4809 -1.4809 6.6034 6.6034 7.6479 7.6479 8.8377 8.8377 9.1133 9.1133 9.2369 9.2369 9.3313 9.3313 9.5143 9.5143 9.6786 9.6786 9.7548 9.7548 10.1086 10.1086 10.2734 10.2734 10.4593 10.4593 10.7338 10.7338 11.0146 11.0146 11.4623 11.4623 11.7071 11.7071 11.9600 11.9600 12.1073 12.1073 12.2860 12.2860 12.5867 12.5867 12.8086 12.8086 13.0842 13.0842 13.2986 13.2986 13.3709 13.3709 13.4709 13.4709 13.9758 13.9758 14.7382 14.7382 15.8144 15.8144 16.8661 16.8661 17.3728 17.3728 18.5552 18.5552 19.5290 19.5290 k = 0.5000 0.2887 0.1718 ( 3280 PWs) bands (ev): -19.6991 -19.6991 -2.6198 -2.6198 -1.5374 -1.5374 -1.4786 -1.4786 6.5762 6.5762 7.6597 7.6597 8.8204 8.8204 9.1305 9.1305 9.2338 9.2338 9.2939 9.2939 9.5189 9.5189 9.6615 9.6615 9.7380 9.7380 10.0873 10.0873 10.2735 10.2735 10.4582 10.4582 10.7467 10.7467 11.0172 11.0172 11.4724 11.4724 11.7417 11.7417 12.0026 12.0026 12.1467 12.1467 12.3015 12.3015 12.5978 12.5978 12.7923 12.7923 13.0886 13.0886 13.2827 13.2827 13.3482 13.3482 13.4608 13.4608 13.9195 13.9195 14.7980 14.7980 15.7515 15.7515 16.8720 16.8720 17.4762 17.4762 18.6314 18.6314 19.4932 19.4932 k = 0.5000 0.2887 0.1546 ( 3296 PWs) bands (ev): -19.6992 -19.6992 -2.6193 -2.6193 -1.5380 -1.5380 -1.4765 -1.4765 6.5515 6.5515 7.6723 7.6723 8.8044 8.8044 9.1342 9.1342 9.2166 9.2166 9.2859 9.2859 9.5244 9.5244 9.6456 9.6456 9.7211 9.7211 10.0603 10.0603 10.2784 10.2784 10.4561 10.4561 10.7577 10.7577 11.0204 11.0204 11.4803 11.4803 11.7796 11.7796 12.0447 12.0447 12.1884 12.1884 12.3166 12.3166 12.6084 12.6084 12.7746 12.7746 13.0880 13.0880 13.2685 13.2685 13.3248 13.3248 13.4524 13.4524 13.8684 13.8684 14.8538 14.8538 15.6922 15.6922 16.8779 16.8779 17.5727 17.5727 18.6901 18.6901 19.4597 19.4597 k = 0.5000 0.2887 0.1374 ( 3292 PWs) bands (ev): -19.6993 -19.6993 -2.6189 -2.6189 -1.5386 -1.5386 -1.4745 -1.4745 6.5293 6.5293 7.6854 7.6854 8.7898 8.7898 9.1186 9.1186 9.1959 9.1959 9.3035 9.3035 9.5306 9.5306 9.6310 9.6310 9.7043 9.7043 10.0290 10.0290 10.2867 10.2867 10.4529 10.4529 10.7668 10.7668 11.0238 11.0238 11.4867 11.4867 11.8194 11.8194 12.0856 12.0856 12.2320 12.2320 12.3308 12.3308 12.6181 12.6181 12.7559 12.7559 13.0812 13.0812 13.2569 13.2569 13.3027 13.3027 13.4435 13.4435 13.8234 13.8234 14.9051 14.9051 15.6372 15.6372 16.8837 16.8837 17.6614 17.6614 18.7331 18.7331 19.4287 19.4287 k = 0.5000 0.2887 0.1202 ( 3300 PWs) bands (ev): -19.6994 -19.6994 -2.6185 -2.6185 -1.5392 -1.5392 -1.4727 -1.4727 6.5097 6.5097 7.6986 7.6986 8.7766 8.7766 9.0874 9.0874 9.1847 9.1847 9.3308 9.3308 9.5373 9.5373 9.6181 9.6181 9.6877 9.6877 9.9949 9.9949 10.2973 10.2973 10.4484 10.4484 10.7739 10.7739 11.0275 11.0275 11.4921 11.4921 11.8598 11.8598 12.1248 12.1248 12.2769 12.2769 12.3436 12.3436 12.6265 12.6265 12.7365 12.7365 13.0674 13.0674 13.2481 13.2481 13.2836 13.2836 13.4326 13.4326 13.7854 13.7854 14.9516 14.9516 15.5870 15.5870 16.8891 16.8891 17.7418 17.7418 18.7632 18.7632 19.4006 19.4006 k = 0.5000 0.2887 0.1031 ( 3300 PWs) bands (ev): -19.6995 -19.6995 -2.6182 -2.6182 -1.5396 -1.5396 -1.4711 -1.4711 6.4926 6.4926 7.7114 7.7114 8.7650 8.7650 9.0517 9.0517 9.1785 9.1785 9.3618 9.3618 9.5447 9.5447 9.6070 9.6070 9.6714 9.6714 9.9593 9.9593 10.3094 10.3094 10.4428 10.4428 10.7793 10.7793 11.0310 11.0310 11.4966 11.4966 11.8994 11.8994 12.1620 12.1620 12.3223 12.3223 12.3545 12.3545 12.6334 12.6334 12.7173 12.7173 13.0468 13.0468 13.2412 13.2412 13.2689 13.2689 13.4197 13.4197 13.7551 13.7551 14.9927 14.9927 15.5422 15.5422 16.8941 16.8941 17.8131 17.8131 18.7833 18.7833 19.3756 19.3756 k = 0.5000 0.2887 0.0859 ( 3294 PWs) bands (ev): -19.6996 -19.6996 -2.6179 -2.6179 -1.5401 -1.5401 -1.4697 -1.4697 6.4781 6.4781 7.7235 7.7235 8.7550 8.7550 9.0176 9.0176 9.1740 9.1740 9.3938 9.3938 9.5527 9.5527 9.5982 9.5982 9.6557 9.6557 9.9232 9.9232 10.3222 10.3222 10.4361 10.4361 10.7832 10.7832 11.0343 11.0343 11.5005 11.5005 11.9367 11.9367 12.1970 12.1970 12.3613 12.3613 12.3683 12.3683 12.6379 12.6379 12.6998 12.6998 13.0209 13.0209 13.2343 13.2343 13.2598 13.2598 13.4051 13.4051 13.7320 13.7320 15.0282 15.0282 15.5032 15.5032 16.8986 16.8986 17.8746 17.8746 18.7963 18.7963 19.3541 19.3541 k = 0.5000 0.2887 0.0687 ( 3290 PWs) bands (ev): -19.6997 -19.6997 -2.6177 -2.6177 -1.5404 -1.5404 -1.4686 -1.4686 6.4663 6.4663 7.7343 7.7343 8.7468 8.7468 8.9876 8.9876 9.1705 9.1705 9.4247 9.4247 9.5610 9.5610 9.5924 9.5924 9.6405 9.6405 9.8879 9.8879 10.3354 10.3354 10.4283 10.4283 10.7861 10.7861 11.0372 11.0372 11.5037 11.5037 11.9703 11.9703 12.2295 12.2295 12.3665 12.3665 12.4101 12.4101 12.6387 12.6387 12.6866 12.6866 12.9918 12.9918 13.2266 13.2266 13.2561 13.2561 13.3903 13.3903 13.7153 13.7153 15.0578 15.0578 15.4706 15.4706 16.9024 16.9024 17.9259 17.9259 18.8043 18.8043 19.3361 19.3361 k = 0.5000 0.2887 0.0515 ( 3292 PWs) bands (ev): -19.6997 -19.6997 -2.6175 -2.6175 -1.5407 -1.5407 -1.4677 -1.4677 6.4571 6.4571 7.7434 7.7434 8.7403 8.7403 8.9631 8.9631 9.1677 9.1677 9.4525 9.4525 9.5687 9.5687 9.5909 9.5909 9.6262 9.6262 9.8549 9.8549 10.3485 10.3485 10.4196 10.4196 10.7880 10.7880 11.0395 11.0395 11.5063 11.5063 11.9987 11.9987 12.2592 12.2592 12.3668 12.3668 12.4483 12.4483 12.6344 12.6344 12.6804 12.6804 12.9622 12.9622 13.2193 13.2193 13.2554 13.2554 13.3767 13.3767 13.7039 13.7039 15.0811 15.0811 15.4448 15.4448 16.9054 16.9054 17.9663 17.9663 18.8091 18.8091 19.3219 19.3219 k = 0.5000 0.2887 0.0344 ( 3296 PWs) bands (ev): -19.6998 -19.6998 -2.6173 -2.6173 -1.5409 -1.5409 -1.4670 -1.4670 6.4505 6.4505 7.7502 7.7502 8.7356 8.7356 8.9451 8.9451 9.1657 9.1657 9.4747 9.4747 9.5743 9.5743 9.5949 9.5949 9.6128 9.6128 9.8266 9.8266 10.3614 10.3614 10.4101 10.4101 10.7892 10.7892 11.0411 11.0411 11.5082 11.5082 12.0203 12.0203 12.2856 12.2856 12.3626 12.3626 12.4792 12.4792 12.6269 12.6269 12.6806 12.6806 12.9355 12.9355 13.2137 13.2137 13.2560 13.2560 13.3658 13.3658 13.6967 13.6967 15.0979 15.0979 15.4260 15.4260 16.9075 16.9075 17.9955 17.9955 18.8117 18.8117 19.3116 19.3116 k = 0.5000 0.2887 0.0172 ( 3296 PWs) bands (ev): -19.6998 -19.6998 -2.6173 -2.6173 -1.5410 -1.5410 -1.4666 -1.4666 6.4465 6.4465 7.7545 7.7545 8.7328 8.7328 8.9340 8.9340 9.1645 9.1645 9.4891 9.4891 9.5794 9.5794 9.6010 9.6010 9.6014 9.6014 9.8066 9.8066 10.3733 10.3733 10.4002 10.4002 10.7899 10.7899 11.0422 11.0422 11.5093 11.5093 12.0339 12.0339 12.3070 12.3070 12.3548 12.3548 12.4997 12.4997 12.6204 12.6204 12.6832 12.6832 12.9162 12.9162 13.2101 13.2101 13.2567 13.2567 13.3587 13.3587 13.6927 13.6927 15.1080 15.1080 15.4147 15.4147 16.9089 16.9089 18.0132 18.0132 18.8130 18.8130 19.3054 19.3054 k = 0.5000 0.2887-0.0000 ( 3288 PWs) bands (ev): -19.6998 -19.6998 -2.6172 -2.6172 -1.5411 -1.5411 -1.4665 -1.4665 6.4452 6.4452 7.7559 7.7559 8.7319 8.7319 8.9303 8.9303 9.1641 9.1641 9.4940 9.4940 9.5836 9.5836 9.5944 9.5944 9.6044 9.6044 9.7992 9.7992 10.3806 10.3806 10.3935 10.3935 10.7901 10.7901 11.0425 11.0425 11.5097 11.5097 12.0386 12.0386 12.3172 12.3172 12.3491 12.3491 12.5069 12.5069 12.6180 12.6180 12.6846 12.6846 12.9091 12.9091 13.2089 13.2089 13.2571 13.2571 13.3563 13.3563 13.6915 13.6915 15.1114 15.1114 15.4109 15.4109 16.9093 16.9093 18.0191 18.0191 18.8134 18.8134 19.3034 19.3034 k = 0.3333 0.5774-0.0000 ( 3282 PWs) bands (ev): -19.6996 -19.6996 -2.6182 -2.6182 -1.5404 -1.5404 -1.4722 -1.4722 7.1159 7.1159 7.1220 7.1220 8.8523 8.8523 9.0018 9.0018 9.1882 9.1882 9.2504 9.2504 9.4766 9.4766 9.5743 9.5743 9.7823 9.7823 9.8090 9.8090 10.3448 10.3448 10.8787 10.8787 10.8886 10.8886 11.0049 11.0049 11.3552 11.3552 11.6946 11.6946 12.2262 12.2262 12.3354 12.3354 12.6046 12.6046 12.6206 12.6206 12.7282 12.7282 12.8167 12.8167 13.1448 13.1448 13.4626 13.4626 13.5936 13.5936 13.6509 13.6509 14.1595 14.1595 15.0727 15.0727 17.8629 17.8629 18.4567 18.4567 18.5579 18.5579 18.9162 18.9162 k = 0.3333 0.5774 0.0172 ( 3276 PWs) bands (ev): -19.6996 -19.6996 -2.6182 -2.6182 -1.5403 -1.5403 -1.4723 -1.4723 7.1165 7.1165 7.1226 7.1226 8.8528 8.8528 9.0019 9.0019 9.1902 9.1902 9.2534 9.2534 9.4580 9.4580 9.5945 9.5945 9.7658 9.7658 9.8271 9.8271 10.3438 10.3438 10.8717 10.8717 10.8906 10.8906 11.0030 11.0030 11.3524 11.3524 11.6952 11.6952 12.2246 12.2246 12.3302 12.3302 12.5702 12.5702 12.6575 12.6575 12.7297 12.7297 12.8192 12.8192 13.1461 13.1461 13.4619 13.4619 13.5944 13.5944 13.6529 13.6529 14.1593 14.1593 15.0700 15.0700 17.8631 17.8631 18.4587 18.4587 18.5601 18.5601 18.9111 18.9111 k = 0.3333 0.5774 0.0344 ( 3270 PWs) bands (ev): -19.6996 -19.6996 -2.6183 -2.6183 -1.5402 -1.5402 -1.4727 -1.4727 7.1182 7.1182 7.1243 7.1243 8.8543 8.8543 9.0024 9.0024 9.1960 9.1960 9.2624 9.2624 9.4221 9.4221 9.6347 9.6347 9.7430 9.7430 9.8555 9.8555 10.3408 10.3408 10.8570 10.8570 10.8903 10.8903 10.9973 10.9973 11.3443 11.3443 11.6967 11.6967 12.2196 12.2196 12.3149 12.3149 12.5319 12.5319 12.7030 12.7030 12.7338 12.7338 12.8266 12.8266 13.1500 13.1500 13.4600 13.4600 13.5970 13.5970 13.6586 13.6586 14.1586 14.1586 15.0616 15.0616 17.8636 17.8636 18.4645 18.4645 18.5667 18.5667 18.8959 18.8959 k = 0.3333 0.5774 0.0515 ( 3273 PWs) bands (ev): -19.6995 -19.6995 -2.6184 -2.6184 -1.5399 -1.5399 -1.4733 -1.4733 7.1210 7.1210 7.1272 7.1272 8.8569 8.8569 9.0034 9.0034 9.2049 9.2049 9.2771 9.2771 9.3842 9.3842 9.6755 9.6755 9.7264 9.7264 9.8861 9.8861 10.3357 10.3357 10.8374 10.8374 10.8850 10.8850 10.9880 10.9880 11.3319 11.3319 11.6989 11.6989 12.2115 12.2115 12.2908 12.2908 12.4969 12.4969 12.7396 12.7396 12.7496 12.7496 12.8388 12.8388 13.1563 13.1563 13.4570 13.4570 13.6014 13.6014 13.6683 13.6683 14.1576 14.1576 15.0477 15.0477 17.8644 17.8644 18.4735 18.4735 18.5773 18.5773 18.8711 18.8711 k = 0.3333 0.5774 0.0687 ( 3270 PWs) bands (ev): -19.6995 -19.6995 -2.6186 -2.6186 -1.5395 -1.5395 -1.4742 -1.4742 7.1250 7.1250 7.1312 7.1312 8.8605 8.8605 9.0053 9.0053 9.2146 9.2146 9.2971 9.2971 9.3497 9.3497 9.6827 9.6827 9.7474 9.7474 9.9182 9.9182 10.3285 10.3285 10.8135 10.8135 10.8741 10.8741 10.9753 10.9753 11.3165 11.3165 11.7010 11.7010 12.2005 12.2005 12.2593 12.2593 12.4657 12.4657 12.7462 12.7462 12.7950 12.7950 12.8564 12.8564 13.1645 13.1645 13.4529 13.4529 13.6076 13.6076 13.6819 13.6819 14.1563 14.1563 15.0284 15.0284 17.8655 17.8655 18.4842 18.4842 18.5911 18.5911 18.8379 18.8379 k = 0.3333 0.5774 0.0859 ( 3264 PWs) bands (ev): -19.6994 -19.6994 -2.6188 -2.6188 -1.5391 -1.5391 -1.4754 -1.4754 7.1303 7.1303 7.1365 7.1365 8.8654 8.8654 9.0083 9.0083 9.2198 9.2198 9.3218 9.3218 9.3248 9.3248 9.6654 9.6654 9.7958 9.7958 9.9516 9.9516 10.3188 10.3188 10.7855 10.7855 10.8572 10.8572 10.9597 10.9597 11.2994 11.2994 11.7026 11.7026 12.1868 12.1868 12.2218 12.2218 12.4388 12.4388 12.7526 12.7526 12.8350 12.8350 12.8819 12.8819 13.1742 13.1742 13.4481 13.4481 13.6156 13.6156 13.6996 13.6996 14.1550 14.1550 15.0038 15.0038 17.8667 17.8667 18.4936 18.4936 18.6067 18.6067 18.7991 18.7991 k = 0.3333 0.5774 0.1031 ( 3264 PWs) bands (ev): -19.6993 -19.6993 -2.6190 -2.6190 -1.5385 -1.5385 -1.4768 -1.4768 7.1369 7.1369 7.1432 7.1432 8.8715 8.8715 9.0128 9.0128 9.2113 9.2113 9.3188 9.3188 9.3508 9.3508 9.6462 9.6462 9.8484 9.8484 9.9860 9.9860 10.3066 10.3066 10.7540 10.7540 10.8344 10.8344 10.9416 10.9416 11.2819 11.2819 11.7033 11.7033 12.1708 12.1708 12.1797 12.1797 12.4163 12.4163 12.7580 12.7580 12.8649 12.8649 12.9186 12.9186 13.1849 13.1849 13.4428 13.4428 13.6256 13.6256 13.7212 13.7212 14.1541 14.1541 14.9739 14.9739 17.8680 17.8680 18.4956 18.4956 18.6206 18.6206 18.7606 18.7606 k = 0.3333 0.5774 0.1202 ( 3276 PWs) bands (ev): -19.6992 -19.6992 -2.6193 -2.6193 -1.5379 -1.5379 -1.4784 -1.4784 7.1448 7.1448 7.1511 7.1511 8.8788 8.8788 9.0187 9.0187 9.1888 9.1888 9.3321 9.3321 9.3836 9.3836 9.6275 9.6275 9.9020 9.9020 10.0213 10.0213 10.2915 10.2915 10.7196 10.7196 10.8057 10.8057 10.9214 10.9214 11.2651 11.2651 11.7026 11.7026 12.1342 12.1342 12.1531 12.1531 12.3980 12.3980 12.7621 12.7621 12.8878 12.8878 12.9618 12.9618 13.1963 13.1963 13.4374 13.4374 13.6375 13.6375 13.7465 13.7465 14.1543 14.1543 14.9391 14.9391 17.8691 17.8691 18.4786 18.4786 18.6258 18.6258 18.7338 18.7338 k = 0.3333 0.5774 0.1374 ( 3276 PWs) bands (ev): -19.6991 -19.6991 -2.6196 -2.6196 -1.5372 -1.5372 -1.4802 -1.4802 7.1542 7.1542 7.1606 7.1606 8.8873 8.8873 9.0264 9.0264 9.1605 9.1605 9.3559 9.3559 9.4196 9.4196 9.6100 9.6100 9.9553 9.9553 10.0576 10.0576 10.2734 10.2734 10.6830 10.6830 10.7718 10.7718 10.9000 10.9000 11.2495 11.2495 11.7005 11.7005 12.0862 12.0862 12.1344 12.1344 12.3834 12.3834 12.7645 12.7645 12.9075 12.9075 13.0058 13.0058 13.2078 13.2078 13.4325 13.4325 13.6513 13.6513 13.7746 13.7746 14.1564 14.1564 14.8996 14.8996 17.8700 17.8700 18.4322 18.4322 18.6085 18.6085 18.7291 18.7291 k = 0.3333 0.5774 0.1546 ( 3279 PWs) bands (ev): -19.6990 -19.6990 -2.6200 -2.6200 -1.5364 -1.5364 -1.4822 -1.4822 7.1651 7.1651 7.1715 7.1715 8.8968 8.8968 9.0358 9.0358 9.1315 9.1315 9.3852 9.3852 9.4583 9.4583 9.5936 9.5936 10.0069 10.0069 10.0950 10.0950 10.2520 10.2520 10.6452 10.6452 10.7337 10.7337 10.8778 10.8778 11.2357 11.2357 11.6965 11.6965 12.0366 12.0366 12.1158 12.1158 12.3721 12.3721 12.7651 12.7651 12.9251 12.9251 13.0483 13.0483 13.2191 13.2191 13.4286 13.4286 13.6670 13.6670 13.8040 13.8040 14.1620 14.1620 14.8555 14.8555 17.8701 17.8701 18.3579 18.3579 18.5579 18.5579 18.7453 18.7453 k = 0.3333 0.5774 0.1718 ( 3279 PWs) bands (ev): -19.6989 -19.6989 -2.6204 -2.6204 -1.5355 -1.5355 -1.4844 -1.4844 7.1776 7.1776 7.1841 7.1841 8.9069 8.9069 9.0470 9.0470 9.1038 9.1038 9.4172 9.4172 9.4991 9.4991 9.5784 9.5784 10.0543 10.0543 10.1343 10.1343 10.2272 10.2272 10.6072 10.6072 10.6929 10.6929 10.8557 10.8557 11.2238 11.2238 11.6907 11.6907 11.9860 11.9860 12.0980 12.0980 12.3632 12.3632 12.7639 12.7639 12.9408 12.9408 13.0876 13.0876 13.2301 13.2301 13.4269 13.4269 13.6845 13.6845 13.8326 13.8326 14.1731 14.1731 14.8074 14.8074 17.8691 17.8691 18.2633 18.2633 18.4793 18.4793 18.7751 18.7751 k = 0.3333 0.5774 0.1889 ( 3279 PWs) bands (ev): -19.6988 -19.6988 -2.6209 -2.6209 -1.5346 -1.5346 -1.4867 -1.4867 7.1918 7.1918 7.1984 7.1984 8.9168 8.9168 9.0598 9.0598 9.0790 9.0790 9.4504 9.4504 9.5410 9.5410 9.5647 9.5647 10.0940 10.0940 10.1766 10.1766 10.1993 10.1993 10.5699 10.5699 10.6523 10.6523 10.8342 10.8342 11.2136 11.2136 11.6829 11.6829 11.9351 11.9351 12.0819 12.0819 12.3561 12.3561 12.7609 12.7609 12.9544 12.9544 13.1223 13.1223 13.2406 13.2406 13.4285 13.4285 13.7037 13.7037 13.8573 13.8573 14.1923 14.1923 14.7556 14.7556 17.8663 17.8663 18.1542 18.1542 18.3829 18.3829 18.8131 18.8131 k = 0.3333 0.5774 0.2061 ( 3279 PWs) bands (ev): -19.6986 -19.6986 -2.6214 -2.6214 -1.5336 -1.5336 -1.4892 -1.4892 7.2077 7.2077 7.2145 7.2145 8.9251 8.9251 9.0589 9.0589 9.0743 9.0743 9.4827 9.4827 9.5529 9.5529 9.5830 9.5830 10.1226 10.1226 10.1686 10.1686 10.2223 10.2223 10.5334 10.5334 10.6168 10.6168 10.8140 10.8140 11.2052 11.2052 11.6733 11.6733 11.8844 11.8844 12.0681 12.0681 12.3504 12.3504 12.7562 12.7562 12.9657 12.9657 13.1511 13.1511 13.2504 13.2504 13.4350 13.4350 13.7243 13.7243 13.8750 13.8750 14.2216 14.2216 14.7009 14.7009 17.8603 17.8603 18.0341 18.0341 18.2757 18.2757 18.8565 18.8565 k = 0.3333 0.5774 0.2233 ( 3267 PWs) bands (ev): -19.6985 -19.6985 -2.6219 -2.6219 -1.5325 -1.5325 -1.4918 -1.4918 7.2255 7.2255 7.2325 7.2325 8.9294 8.9294 9.0459 9.0459 9.0902 9.0902 9.5102 9.5102 9.5454 9.5454 9.6235 9.6235 10.1364 10.1364 10.1375 10.1375 10.2698 10.2698 10.4956 10.4956 10.5938 10.5938 10.7956 10.7956 11.1984 11.1984 11.6620 11.6620 11.8345 11.8345 12.0571 12.0571 12.3455 12.3455 12.7499 12.7499 12.9750 12.9750 13.1726 13.1726 13.2597 13.2597 13.4480 13.4480 13.7463 13.7463 13.8843 13.8843 14.2612 14.2612 14.6445 14.6445 17.8484 17.8484 17.9051 17.9051 18.1633 18.1633 18.9038 18.9038 k = 0.3333 0.5774 0.2405 ( 3273 PWs) bands (ev): -19.6983 -19.6983 -2.6224 -2.6224 -1.5314 -1.5314 -1.4945 -1.4945 7.2452 7.2452 7.2524 7.2524 8.9272 8.9272 9.0424 9.0424 9.1075 9.1075 9.5189 9.5189 9.5543 9.5543 9.6599 9.6599 10.1047 10.1047 10.1378 10.1378 10.3171 10.3171 10.4551 10.4551 10.5896 10.5896 10.7792 10.7792 11.1931 11.1931 11.6495 11.6495 11.7859 11.7859 12.0488 12.0488 12.3413 12.3413 12.7422 12.7422 12.9821 12.9821 13.1863 13.1863 13.2685 13.2685 13.4681 13.4681 13.7692 13.7692 13.8850 13.8850 14.3077 14.3077 14.5893 14.5893 17.7691 17.7691 17.8234 17.8234 18.0547 18.0547 18.9539 18.9540 k = 0.3333 0.5774 0.2576 ( 3273 PWs) bands (ev): -19.6982 -19.6982 -2.6230 -2.6230 -1.5303 -1.5303 -1.4972 -1.4972 7.2670 7.2670 7.2744 7.2744 8.9186 8.9186 9.0482 9.0482 9.1257 9.1257 9.5128 9.5128 9.5734 9.5734 9.6884 9.6884 10.0772 10.0772 10.1245 10.1245 10.3630 10.3630 10.4142 10.4142 10.6047 10.6047 10.7650 10.7650 11.1895 11.1895 11.6363 11.6363 11.7390 11.7390 12.0432 12.0432 12.3374 12.3374 12.7332 12.7332 12.9875 12.9875 13.1928 13.1928 13.2769 13.2769 13.4950 13.4950 13.7930 13.7930 13.8783 13.8783 14.3505 14.3505 14.5449 14.5449 17.6273 17.6273 17.7685 17.7685 17.9681 17.9681 19.0063 19.0063 k = 0.3333 0.5774 0.2748 ( 3270 PWs) bands (ev): -19.6980 -19.6980 -2.6236 -2.6236 -1.5291 -1.5291 -1.5000 -1.5000 7.2908 7.2908 7.2985 7.2985 8.9061 8.9061 9.0606 9.0606 9.1447 9.1447 9.5048 9.5048 9.5875 9.5875 9.7037 9.7037 10.0592 10.0592 10.1008 10.1008 10.3746 10.3746 10.4084 10.4084 10.6354 10.6354 10.7532 10.7532 11.1876 11.1876 11.6232 11.6232 11.6943 11.6943 12.0400 12.0400 12.3337 12.3337 12.7233 12.7233 12.9912 12.9912 13.1935 13.1935 13.2851 13.2851 13.5276 13.5276 13.8173 13.8173 13.8653 13.8653 14.3600 14.3600 14.5392 14.5392 17.4811 17.4811 17.6709 17.6709 17.9170 17.9170 19.0605 19.0605 k = 0.3333 0.5774 0.2920 ( 3276 PWs) bands (ev): -19.6979 -19.6979 -2.6242 -2.6242 -1.5279 -1.5279 -1.5029 -1.5029 7.3167 7.3167 7.3247 7.3247 8.8920 8.8920 9.0768 9.0768 9.1639 9.1639 9.4971 9.4971 9.5923 9.5923 9.7011 9.7011 10.0555 10.0555 10.0701 10.0701 10.3417 10.3417 10.4510 10.4510 10.6771 10.6771 10.7437 10.7437 11.1875 11.1875 11.6110 11.6110 11.6524 11.6524 12.0388 12.0388 12.3303 12.3303 12.7126 12.7126 12.9936 12.9936 13.1898 13.1898 13.2930 13.2930 13.5644 13.5644 13.8419 13.8419 13.8471 13.8471 14.3214 14.3214 14.5860 14.5860 17.3316 17.3316 17.5458 17.5458 17.8870 17.8870 19.1160 19.1160 k = 0.3333 0.5774 0.3092 ( 3276 PWs) bands (ev): -19.6977 -19.6977 -2.6248 -2.6248 -1.5267 -1.5267 -1.5057 -1.5057 7.3448 7.3448 7.3532 7.3532 8.8779 8.8779 9.0945 9.0945 9.1825 9.1825 9.4898 9.4898 9.5862 9.5862 9.6798 9.6798 10.0351 10.0351 10.0672 10.0672 10.3161 10.3161 10.4932 10.4932 10.7257 10.7257 10.7362 10.7362 11.1895 11.1895 11.6003 11.6003 11.6137 11.6137 12.0391 12.0391 12.3270 12.3270 12.7014 12.7014 12.9950 12.9950 13.1831 13.1831 13.3011 13.3011 13.6043 13.6043 13.8242 13.8242 13.8665 13.8665 14.2612 14.2612 14.6579 14.6579 17.1797 17.1797 17.4089 17.4089 17.8631 17.8631 19.1725 19.1725 k = 0.3333 0.5774 0.3264 ( 3276 PWs) bands (ev): -19.6975 -19.6975 -2.6255 -2.6255 -1.5255 -1.5255 -1.5086 -1.5086 7.3752 7.3752 7.3840 7.3840 8.8646 8.8646 9.1120 9.1120 9.1994 9.1994 9.4830 9.4830 9.5697 9.5697 9.6447 9.6447 9.9972 9.9972 10.0903 10.0903 10.2986 10.2986 10.5352 10.5352 10.7305 10.7305 10.7783 10.7783 11.1939 11.1939 11.5789 11.5789 11.5919 11.5919 12.0407 12.0407 12.3238 12.3238 12.6900 12.6900 12.9956 12.9956 13.1745 13.1745 13.3093 13.3093 13.6463 13.6463 13.7970 13.7970 13.8910 13.8910 14.1943 14.1943 14.7400 14.7400 17.0265 17.0265 17.2667 17.2667 17.8392 17.8392 19.2300 19.2300 k = 0.3333 0.5774 0.3435 ( 3270 PWs) bands (ev): -19.6974 -19.6974 -2.6261 -2.6261 -1.5244 -1.5244 -1.5114 -1.5114 7.4078 7.4078 7.4171 7.4171 8.8523 8.8523 9.1271 9.1271 9.2124 9.2124 9.4765 9.4765 9.5454 9.5454 9.6027 9.6027 9.9571 9.9571 10.1197 10.1197 10.2883 10.2883 10.5775 10.5775 10.7262 10.7262 10.8327 10.8327 11.2012 11.2012 11.5485 11.5485 11.5864 11.5864 12.0433 12.0433 12.3209 12.3209 12.6787 12.6787 12.9956 12.9956 13.1644 13.1644 13.3178 13.3178 13.6896 13.6896 13.7654 13.7654 13.9151 13.9151 14.1256 14.1256 14.8275 14.8275 16.8729 16.8729 17.1220 17.1220 17.8130 17.8130 19.2881 19.2881 k = 0.3333 0.5774 0.3607 ( 3264 PWs) bands (ev): -19.6972 -19.6972 -2.6267 -2.6267 -1.5232 -1.5232 -1.5141 -1.5141 7.4427 7.4427 7.4525 7.4525 8.8414 8.8414 9.1370 9.1370 9.2183 9.2183 9.4699 9.4699 9.5183 9.5183 9.5607 9.5607 9.9156 9.9156 10.1514 10.1514 10.2828 10.2828 10.6207 10.6207 10.7228 10.7228 10.8870 10.8870 11.2119 11.2119 11.5232 11.5232 11.5842 11.5842 12.0466 12.0466 12.3182 12.3182 12.6678 12.6678 12.9954 12.9954 13.1536 13.1536 13.3269 13.3269 13.7237 13.7237 13.7389 13.7389 13.9385 13.9385 14.0577 14.0577 14.9184 14.9184 16.7197 16.7197 16.9768 16.9768 17.7832 17.7832 19.3467 19.3467 k = 0.3333 0.5774 0.3779 ( 3273 PWs) bands (ev): -19.6970 -19.6970 -2.6274 -2.6274 -1.5221 -1.5221 -1.5168 -1.5168 7.4799 7.4799 7.4904 7.4904 8.8319 8.8319 9.1375 9.1375 9.2119 9.2119 9.4623 9.4623 9.4954 9.4954 9.5261 9.5261 9.8733 9.8733 10.1826 10.1826 10.2792 10.2792 10.6650 10.6650 10.7196 10.7196 10.9394 10.9394 11.2267 11.2267 11.5035 11.5035 11.5858 11.5858 12.0506 12.0506 12.3157 12.3157 12.6576 12.6576 12.9949 12.9949 13.1423 13.1423 13.3367 13.3367 13.6855 13.6855 13.7790 13.7790 13.9612 13.9612 13.9934 13.9934 15.0117 15.0117 16.5677 16.5677 16.8319 16.8319 17.7492 17.7492 19.4057 19.4057 k = 0.3333 0.5774 0.3951 ( 3273 PWs) bands (ev): -19.6969 -19.6969 -2.6280 -2.6280 -1.5210 -1.5210 -1.5193 -1.5193 7.5195 7.5195 7.5306 7.5306 8.8236 8.8236 9.1242 9.1242 9.1886 9.1886 9.4546 9.4546 9.4819 9.4819 9.5054 9.5054 9.8310 9.8310 10.2117 10.2117 10.2749 10.2749 10.7103 10.7103 10.7160 10.7160 10.9883 10.9883 11.2467 11.2467 11.4899 11.4899 11.5913 11.5913 12.0553 12.0553 12.3136 12.3136 12.6484 12.6484 12.9943 12.9943 13.1309 13.1309 13.3474 13.3474 13.6381 13.6381 13.8176 13.8176 13.9387 13.9387 13.9829 13.9829 15.1066 15.1066 16.4179 16.4179 16.6885 16.6885 17.7108 17.7108 19.4650 19.4650 k = 0.3333 0.5774 0.4122 ( 3273 PWs) bands (ev): -19.6967 -19.6967 -2.6286 -2.6286 -1.5218 -1.5218 -1.5199 -1.5199 7.5613 7.5613 7.5732 7.5732 8.8167 8.8167 9.0948 9.0948 9.1475 9.1475 9.4520 9.4520 9.4770 9.4770 9.5002 9.5002 9.7895 9.7895 10.2378 10.2378 10.2683 10.2683 10.7113 10.7113 10.7564 10.7564 11.0319 11.0319 11.2726 11.2726 11.4826 11.4826 11.6006 11.6006 12.0607 12.0607 12.3118 12.3118 12.6403 12.6403 12.9935 12.9935 13.1194 13.1194 13.3591 13.3591 13.5847 13.5847 13.8271 13.8271 13.9186 13.9186 14.0035 14.0035 15.2024 15.2024 16.2710 16.2710 16.5474 16.5474 17.6677 17.6677 19.5245 19.5245 k = 0.3333 0.5774 0.4294 ( 3282 PWs) bands (ev): -19.6966 -19.6966 -2.6291 -2.6291 -1.5241 -1.5241 -1.5189 -1.5189 7.6054 7.6054 7.6182 7.6182 8.8107 8.8107 9.0510 9.0510 9.0925 9.0925 9.4543 9.4543 9.4801 9.4801 9.5072 9.5072 9.7492 9.7492 10.2581 10.2581 10.2606 10.2606 10.7049 10.7049 10.8024 10.8024 11.0692 11.0692 11.3049 11.3049 11.4815 11.4815 11.6133 11.6133 12.0672 12.0672 12.3104 12.3104 12.6338 12.6338 12.9920 12.9920 13.1082 13.1082 13.3720 13.3720 13.5264 13.5264 13.7919 13.7919 13.9490 13.9490 14.0228 14.0228 15.2986 15.2986 16.1279 16.1279 16.4094 16.4094 17.6201 17.6201 19.5841 19.5841 k = 0.3333 0.5774 0.4466 ( 3303 PWs) bands (ev): -19.6965 -19.6965 -2.6297 -2.6297 -1.5263 -1.5263 -1.5180 -1.5180 7.6518 7.6518 7.6655 7.6655 8.8054 8.8054 8.9970 8.9970 9.0284 9.0284 9.4557 9.4557 9.4942 9.4942 9.5220 9.5220 9.7107 9.7107 10.2442 10.2442 10.2798 10.2798 10.6966 10.6966 10.8474 10.8474 11.1004 11.1004 11.3427 11.3427 11.4861 11.4861 11.6291 11.6291 12.0751 12.0751 12.3095 12.3095 12.6287 12.6287 12.9893 12.9893 13.0975 13.0975 13.3862 13.3862 13.4647 13.4647 13.7472 13.7472 13.9945 13.9945 14.0406 14.0406 15.3945 15.3945 15.9897 15.9897 16.2753 16.2753 17.5683 17.5683 19.6437 19.6437 k = 0.3333 0.5774 0.4638 ( 3303 PWs) bands (ev): -19.6963 -19.6963 -2.6302 -2.6302 -1.5283 -1.5283 -1.5171 -1.5171 7.7003 7.7003 7.7151 7.7151 8.7995 8.7995 8.9375 8.9375 8.9588 8.9588 9.4552 9.4552 9.5171 9.5171 9.5411 9.5411 9.6745 9.6745 10.2265 10.2265 10.2957 10.2957 10.6864 10.6864 10.8900 10.8900 11.1269 11.1269 11.3840 11.3840 11.4954 11.4954 11.6472 11.6472 12.0849 12.0849 12.3093 12.3093 12.6253 12.6253 12.9843 12.9843 13.0871 13.0871 13.4018 13.4018 13.4024 13.4024 13.7035 13.7035 14.0437 14.0437 14.0569 14.0569 15.4894 15.4894 15.8574 15.8574 16.1459 16.1459 17.5128 17.5128 19.7034 19.7034 k = 0.3333 0.5774 0.4809 ( 3300 PWs) bands (ev): -19.6962 -19.6962 -2.6307 -2.6307 -1.5301 -1.5301 -1.5163 -1.5163 7.7508 7.7508 7.7670 7.7670 8.7891 8.7891 8.8791 8.8791 8.8862 8.8862 9.4542 9.4542 9.5447 9.5447 9.5623 9.5623 9.6411 9.6411 10.2054 10.2054 10.3085 10.3085 10.6745 10.6745 10.9289 10.9289 11.1504 11.1504 11.4265 11.4265 11.5083 11.5083 11.6668 11.6668 12.0969 12.0969 12.3101 12.3101 12.6236 12.6236 12.9752 12.9752 13.0772 13.0772 13.3429 13.3429 13.4187 13.4187 13.6622 13.6622 14.0715 14.0715 14.0942 14.0942 15.5825 15.5825 15.7322 15.7322 16.0224 16.0224 17.4544 17.4544 19.7630 19.7630 k = 0.3333 0.5774 0.4981 ( 3300 PWs) bands (ev): -19.6961 -19.6961 -2.6311 -2.6311 -1.5318 -1.5318 -1.5155 -1.5155 7.8032 7.8032 7.8209 7.8209 8.7606 8.7606 8.8122 8.8122 8.8375 8.8375 9.4532 9.4532 9.5738 9.5738 9.5839 9.5839 9.6119 9.6119 10.1816 10.1816 10.3186 10.3186 10.6615 10.6615 10.9628 10.9628 11.1725 11.1725 11.4680 11.4680 11.5233 11.5233 11.6868 11.6868 12.1114 12.1114 12.3124 12.3124 12.6233 12.6233 12.9594 12.9594 13.0673 13.0673 13.2907 13.2907 13.4367 13.4367 13.6236 13.6236 14.0843 14.0843 14.1451 14.1451 15.6154 15.6154 15.6725 15.6725 15.9061 15.9061 17.3940 17.3940 19.8224 19.8355 k = 0.3333 0.5774 0.5153 ( 3294 PWs) bands (ev): -19.6960 -19.6960 -2.6315 -2.6315 -1.5332 -1.5332 -1.5149 -1.5149 7.8572 7.8572 7.8768 7.8768 8.7057 8.7057 8.7377 8.7377 8.8221 8.8221 9.4524 9.4524 9.5786 9.5786 9.6050 9.6050 9.6116 9.6116 10.1558 10.1558 10.3264 10.3264 10.6482 10.6482 10.9910 10.9910 11.1940 11.1940 11.5065 11.5065 11.5392 11.5392 11.7063 11.7063 12.1283 12.1283 12.3171 12.3171 12.6243 12.6243 12.9340 12.9340 13.0572 13.0572 13.2503 13.2503 13.4555 13.4555 13.5878 13.5878 14.0952 14.0952 14.1955 14.1955 15.5085 15.5085 15.7523 15.7523 15.8042 15.8042 17.3330 17.3330 19.8816 19.9035 k = 0.3333 0.5774 0.5325 ( 3300 PWs) bands (ev): -19.6960 -19.6960 -2.6318 -2.6318 -1.5345 -1.5345 -1.5144 -1.5144 7.9124 7.9124 7.9343 7.9343 8.6408 8.6408 8.6636 8.6636 8.8174 8.8174 9.4517 9.4517 9.5566 9.5566 9.6245 9.6245 9.6419 9.6419 10.1290 10.1290 10.3322 10.3322 10.6353 10.6353 11.0131 11.0131 11.2150 11.2150 11.5407 11.5407 11.5547 11.5547 11.7242 11.7242 12.1466 12.1466 12.3255 12.3255 12.6261 12.6261 12.8974 12.8974 13.0474 13.0474 13.2240 13.2240 13.4743 13.4743 13.5551 13.5551 14.1042 14.1042 14.2442 14.2442 15.4133 15.4133 15.6934 15.6934 15.8450 15.8450 17.2732 17.2732 19.9406 19.9849 k = 0.3333 0.5774 0.5496 ( 3300 PWs) bands (ev): -19.6959 -19.6959 -2.6321 -2.6321 -1.5355 -1.5355 -1.5139 -1.5139 7.9681 7.9681 7.9929 7.9929 8.5747 8.5747 8.5910 8.5910 8.8160 8.8160 9.4512 9.4512 9.5368 9.5368 9.6417 9.6417 9.6727 9.6727 10.1021 10.1021 10.3363 10.3363 10.6236 10.6236 11.0297 11.0297 11.2345 11.2345 11.5687 11.5687 11.5695 11.5695 11.7397 11.7397 12.1643 12.1643 12.3390 12.3390 12.6285 12.6285 12.8516 12.8516 13.0386 13.0386 13.2105 13.2105 13.4923 13.4923 13.5260 13.5260 14.1114 14.1114 14.2897 14.2897 15.3316 15.3316 15.6071 15.6071 15.9175 15.9175 17.2169 17.2169 19.9990 20.0029 k = 0.3333 0.5774 0.5668 ( 3291 PWs) bands (ev): -19.6958 -19.6958 -2.6323 -2.6323 -1.5363 -1.5363 -1.5135 -1.5135 8.0229 8.0229 8.0516 8.0516 8.5108 8.5108 8.5211 8.5211 8.8157 8.8157 9.4509 9.4509 9.5208 9.5208 9.6560 9.6560 9.7011 9.7011 10.0770 10.0770 10.3390 10.3390 10.6137 10.6137 11.0415 11.0415 11.2514 11.2514 11.5804 11.5804 11.5923 11.5923 11.7521 11.7521 12.1794 12.1794 12.3583 12.3583 12.6309 12.6309 12.8019 12.8019 13.0316 13.0316 13.2056 13.2056 13.5014 13.5014 13.5084 13.5084 14.1167 14.1167 14.3297 14.3297 15.2653 15.2653 15.5341 15.5341 15.9804 15.9804 17.1669 17.1669 20.0580 20.0643 k = 0.3333 0.5774 0.5840 ( 3291 PWs) bands (ev): -19.6958 -19.6958 -2.6325 -2.6325 -1.5369 -1.5369 -1.5133 -1.5133 8.0737 8.0737 8.1081 8.1081 8.4531 8.4531 8.4565 8.4565 8.8158 8.8158 9.4507 9.4507 9.5092 9.5092 9.6666 9.6666 9.7247 9.7247 10.0556 10.0556 10.3408 10.3408 10.6061 10.6061 11.0493 11.0493 11.2645 11.2645 11.5892 11.5892 11.6088 11.6088 11.7611 11.7611 12.1902 12.1902 12.3813 12.3813 12.6330 12.6330 12.7550 12.7550 13.0265 13.0265 13.2053 13.2053 13.4824 13.4824 13.5212 13.5212 14.1204 14.1204 14.3615 14.3615 15.2163 15.2163 15.4783 15.4783 16.0297 16.0297 17.1270 17.1270 20.1143 20.1237 k = 0.3333 0.5774 0.6012 ( 3297 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5372 -1.5372 -1.5131 -1.5131 8.1140 8.1140 8.1558 8.1558 8.4039 8.4039 8.4086 8.4086 8.8160 8.8160 9.4507 9.4507 9.5021 9.5021 9.6732 9.6732 9.7408 9.7408 10.0408 10.0408 10.3417 10.3417 10.6015 10.6015 11.0537 11.0537 11.2727 11.2727 11.5946 11.5946 11.6188 11.6188 11.7665 11.7665 12.1964 12.1964 12.4020 12.4020 12.6344 12.6344 12.7196 12.7196 13.0235 13.0235 13.2066 13.2066 13.4703 13.4703 13.5295 13.5295 14.1224 14.1224 14.3823 14.3823 15.1861 15.1861 15.4431 15.4431 16.0613 16.0613 17.1009 17.1009 20.1793 20.1819 k = 0.3333 0.5774 0.6184 ( 3300 PWs) bands (ev): -19.6958 -19.6958 -2.6326 -2.6326 -1.5373 -1.5373 -1.5131 -1.5131 8.1305 8.1305 8.1771 8.1771 8.3810 8.3810 8.3907 8.3907 8.8161 8.8161 9.4507 9.4507 9.4997 9.4997 9.6754 9.6754 9.7466 9.7466 10.0355 10.0355 10.3420 10.3420 10.5999 10.5999 11.0552 11.0552 11.2755 11.2755 11.5965 11.5965 11.6221 11.6221 11.7683 11.7683 12.1984 12.1984 12.4107 12.4107 12.6349 12.6349 12.7059 12.7059 13.0225 13.0225 13.2072 13.2072 13.4661 13.4661 13.5323 13.5323 14.1231 14.1231 14.3895 14.3895 15.1760 15.1760 15.4310 15.4310 16.0723 16.0723 17.0917 17.0917 20.2027 20.2028 Writing output data file SrPt5.save init_run : 0.36s CPU 0.52s WALL ( 1 calls) electrons : 295.66s CPU 300.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 295.65s CPU 300.25s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 303 calls) cegterg : 277.58s CPU 281.39s WALL ( 603 calls) Called by sum_band: Called by *egterg: h_psi : 123.39s CPU 125.85s WALL ( 10344 calls) s_psi : 13.67s CPU 13.76s WALL ( 10344 calls) g_psi : 0.28s CPU 0.35s WALL ( 9438 calls) cdiaghg : 124.69s CPU 126.37s WALL ( 9741 calls) cegterg:over : 11.67s CPU 11.63s WALL ( 9438 calls) cegterg:upda : 9.52s CPU 9.37s WALL ( 9438 calls) cegterg:last : 4.76s CPU 4.80s WALL ( 1512 calls) cdiaghg:chol : 7.27s CPU 7.27s WALL ( 9741 calls) cdiaghg:inve : 5.33s CPU 5.32s WALL ( 9741 calls) cdiaghg:para : 8.85s CPU 9.12s WALL ( 19482 calls) Called by h_psi: h_psi:vloc : 94.24s CPU 96.65s WALL ( 10344 calls) h_psi:vnl : 28.78s CPU 28.82s WALL ( 10344 calls) add_vuspsi : 16.31s CPU 16.28s WALL ( 10344 calls) General routines calbec : 12.43s CPU 12.51s WALL ( 10344 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 84.03s CPU 86.27s WALL ( 1413728 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.41s WALL ( 606 calls) Parallel routines fft_scatter : 33.97s CPU 34.87s WALL ( 1413751 calls) PWSCF : 5m13.08s CPU 5m30.78s WALL This run was terminated on: 21:13:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=