Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:31:17 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: ./CaZn5.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per 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 54 36 10 1548 836 132 Max 56 37 11 1553 848 137 Sum 1969 1303 379 55747 30305 4813 bravais-lattice index = 14 lattice parameter (alat) = 10.1854 a.u. unit-cell volume = 720.8213 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.185434 celldm(2)= 1.000000 celldm(3)= 0.787696 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 0.787696 ) 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 1.269526 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 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= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0032680 k( 8) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0032680 k( 9) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0032680 k( 10) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0032680 k( 11) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0032680 k( 12) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0032680 k( 13) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0032680 k( 14) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0032680 k( 15) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0032680 k( 16) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0032680 k( 17) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0032680 k( 18) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032680 k( 19) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0032680 k( 20) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0032680 k( 21) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0032680 k( 22) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0032680 k( 23) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0032680 k( 24) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0032680 k( 25) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0032680 k( 26) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0032680 k( 27) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0032680 k( 28) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0032680 k( 29) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0032680 k( 30) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0032680 k( 31) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0032680 k( 32) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0032680 k( 33) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0032680 k( 34) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0032680 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 37) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0032680 k( 38) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0032680 k( 39) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0032680 k( 40) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032680 k( 41) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0032680 k( 42) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0032680 k( 43) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0032680 k( 44) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032680 k( 45) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0032680 k( 46) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032680 k( 47) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0032680 k( 48) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032680 k( 49) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0032680 k( 50) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0032680 k( 51) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0032680 k( 52) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032680 k( 53) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0032680 k( 54) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0032680 k( 55) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0032680 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 58) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0032680 k( 59) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0032680 k( 60) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0032680 k( 61) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0032680 k( 62) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0032680 k( 63) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0032680 k( 64) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0032680 k( 65) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0032680 k( 66) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0032680 k( 67) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0032680 k( 68) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0032680 k( 69) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0032680 k( 70) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0032680 k( 71) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0032680 k( 72) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0032680 k( 73) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0032680 k( 74) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0032680 k( 75) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0032680 k( 76) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0032680 k( 77) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0032680 k( 78) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0032680 k( 79) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0032680 k( 80) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0032680 k( 81) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0032680 k( 82) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0032680 k( 83) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0032680 k( 84) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0032680 k( 85) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0032680 k( 86) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0032680 k( 87) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0032680 k( 88) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0032680 k( 89) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0032680 k( 90) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0032680 k( 91) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0032680 k( 92) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0032680 k( 93) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0032680 k( 94) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0032680 k( 95) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0032680 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 98) = ( 0.0000000 0.0000000 0.0171558), wk = 0.0032680 k( 99) = ( 0.0000000 0.0000000 0.0343115), wk = 0.0032680 k( 100) = ( 0.0000000 0.0000000 0.0514673), wk = 0.0032680 k( 101) = ( 0.0000000 0.0000000 0.0686230), wk = 0.0032680 k( 102) = ( 0.0000000 0.0000000 0.0857788), wk = 0.0032680 k( 103) = ( 0.0000000 0.0000000 0.1029345), wk = 0.0032680 k( 104) = ( 0.0000000 0.0000000 0.1200903), wk = 0.0032680 k( 105) = ( 0.0000000 0.0000000 0.1372461), wk = 0.0032680 k( 106) = ( 0.0000000 0.0000000 0.1544018), wk = 0.0032680 k( 107) = ( 0.0000000 0.0000000 0.1715576), wk = 0.0032680 k( 108) = ( 0.0000000 0.0000000 0.1887133), wk = 0.0032680 k( 109) = ( 0.0000000 0.0000000 0.2058691), wk = 0.0032680 k( 110) = ( 0.0000000 0.0000000 0.2230249), wk = 0.0032680 k( 111) = ( 0.0000000 0.0000000 0.2401806), wk = 0.0032680 k( 112) = ( 0.0000000 0.0000000 0.2573364), wk = 0.0032680 k( 113) = ( 0.0000000 0.0000000 0.2744921), wk = 0.0032680 k( 114) = ( 0.0000000 0.0000000 0.2916479), wk = 0.0032680 k( 115) = ( 0.0000000 0.0000000 0.3088036), wk = 0.0032680 k( 116) = ( 0.0000000 0.0000000 0.3259594), wk = 0.0032680 k( 117) = ( 0.0000000 0.0000000 0.3431152), wk = 0.0032680 k( 118) = ( 0.0000000 0.0000000 0.3602709), wk = 0.0032680 k( 119) = ( 0.0000000 0.0000000 0.3774267), wk = 0.0032680 k( 120) = ( 0.0000000 0.0000000 0.3945824), wk = 0.0032680 k( 121) = ( 0.0000000 0.0000000 0.4117382), wk = 0.0032680 k( 122) = ( 0.0000000 0.0000000 0.4288940), wk = 0.0032680 k( 123) = ( 0.0000000 0.0000000 0.4460497), wk = 0.0032680 k( 124) = ( 0.0000000 0.0000000 0.4632055), wk = 0.0032680 k( 125) = ( 0.0000000 0.0000000 0.4803612), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.4975170), wk = 0.0032680 k( 127) = ( 0.0000000 0.0000000 0.5146727), wk = 0.0032680 k( 128) = ( 0.0000000 0.0000000 0.5318285), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.5489843), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.5661400), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.5832958), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.6004515), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.6176073), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.6347630), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.6347630), wk = 0.0032680 k( 136) = ( 0.0147059 0.0084904 0.6347630), wk = 0.0032680 k( 137) = ( 0.0294118 0.0169809 0.6347630), wk = 0.0032680 k( 138) = ( 0.0441177 0.0254713 0.6347630), wk = 0.0032680 k( 139) = ( 0.0588235 0.0339618 0.6347630), wk = 0.0032680 k( 140) = ( 0.0735294 0.0424522 0.6347630), wk = 0.0032680 k( 141) = ( 0.0882353 0.0509427 0.6347630), wk = 0.0032680 k( 142) = ( 0.1029412 0.0594331 0.6347630), wk = 0.0032680 k( 143) = ( 0.1176471 0.0679236 0.6347630), wk = 0.0032680 k( 144) = ( 0.1323529 0.0764140 0.6347630), wk = 0.0032680 k( 145) = ( 0.1470588 0.0849044 0.6347630), wk = 0.0032680 k( 146) = ( 0.1617647 0.0933949 0.6347630), wk = 0.0032680 k( 147) = ( 0.1764706 0.1018853 0.6347630), wk = 0.0032680 k( 148) = ( 0.1911765 0.1103758 0.6347630), wk = 0.0032680 k( 149) = ( 0.2058823 0.1188662 0.6347630), wk = 0.0032680 k( 150) = ( 0.2205882 0.1273567 0.6347630), wk = 0.0032680 k( 151) = ( 0.2352941 0.1358471 0.6347630), wk = 0.0032680 k( 152) = ( 0.2500000 0.1443376 0.6347630), wk = 0.0032680 k( 153) = ( 0.2647059 0.1528280 0.6347630), wk = 0.0032680 k( 154) = ( 0.2794118 0.1613185 0.6347630), wk = 0.0032680 k( 155) = ( 0.2941177 0.1698089 0.6347630), wk = 0.0032680 k( 156) = ( 0.3088235 0.1782993 0.6347630), wk = 0.0032680 k( 157) = ( 0.3235294 0.1867898 0.6347630), wk = 0.0032680 k( 158) = ( 0.3382353 0.1952802 0.6347630), wk = 0.0032680 k( 159) = ( 0.3529412 0.2037707 0.6347630), wk = 0.0032680 k( 160) = ( 0.3676471 0.2122611 0.6347630), wk = 0.0032680 k( 161) = ( 0.3823529 0.2207516 0.6347630), wk = 0.0032680 k( 162) = ( 0.3970588 0.2292420 0.6347630), wk = 0.0032680 k( 163) = ( 0.4117647 0.2377325 0.6347630), wk = 0.0032680 k( 164) = ( 0.4264706 0.2462229 0.6347630), wk = 0.0032680 k( 165) = ( 0.4411765 0.2547134 0.6347630), wk = 0.0032680 k( 166) = ( 0.4558823 0.2632038 0.6347630), wk = 0.0032680 k( 167) = ( 0.4705882 0.2716942 0.6347630), wk = 0.0032680 k( 168) = ( 0.4852941 0.2801847 0.6347630), wk = 0.0032680 k( 169) = ( 0.5000000 0.2886751 0.6347630), wk = 0.0032680 k( 170) = ( 0.5000000 0.2886751 0.6347630), wk = 0.0032680 k( 171) = ( 0.4916667 0.3031089 0.6347630), wk = 0.0032680 k( 172) = ( 0.4833333 0.3175426 0.6347630), wk = 0.0032680 k( 173) = ( 0.4750000 0.3319764 0.6347630), wk = 0.0032680 k( 174) = ( 0.4666667 0.3464102 0.6347630), wk = 0.0032680 k( 175) = ( 0.4583333 0.3608439 0.6347630), wk = 0.0032680 k( 176) = ( 0.4500000 0.3752777 0.6347630), wk = 0.0032680 k( 177) = ( 0.4416667 0.3897114 0.6347630), wk = 0.0032680 k( 178) = ( 0.4333333 0.4041452 0.6347630), wk = 0.0032680 k( 179) = ( 0.4250000 0.4185789 0.6347630), wk = 0.0032680 k( 180) = ( 0.4166667 0.4330127 0.6347630), wk = 0.0032680 k( 181) = ( 0.4083333 0.4474465 0.6347630), wk = 0.0032680 k( 182) = ( 0.4000000 0.4618802 0.6347630), wk = 0.0032680 k( 183) = ( 0.3916667 0.4763140 0.6347630), wk = 0.0032680 k( 184) = ( 0.3833333 0.4907477 0.6347630), wk = 0.0032680 k( 185) = ( 0.3750000 0.5051815 0.6347630), wk = 0.0032680 k( 186) = ( 0.3666667 0.5196152 0.6347630), wk = 0.0032680 k( 187) = ( 0.3583333 0.5340490 0.6347630), wk = 0.0032680 k( 188) = ( 0.3500000 0.5484828 0.6347630), wk = 0.0032680 k( 189) = ( 0.3416667 0.5629165 0.6347630), wk = 0.0032680 k( 190) = ( 0.3333333 0.5773503 0.6347630), wk = 0.0032680 k( 191) = ( 0.3333333 0.5773503 0.6347630), wk = 0.0032680 k( 192) = ( 0.3247863 0.5625464 0.6347630), wk = 0.0032680 k( 193) = ( 0.3162393 0.5477426 0.6347630), wk = 0.0032680 k( 194) = ( 0.3076923 0.5329387 0.6347630), wk = 0.0032680 k( 195) = ( 0.2991453 0.5181349 0.6347630), wk = 0.0032680 k( 196) = ( 0.2905983 0.5033310 0.6347630), wk = 0.0032680 k( 197) = ( 0.2820513 0.4885271 0.6347630), wk = 0.0032680 k( 198) = ( 0.2735043 0.4737233 0.6347630), wk = 0.0032680 k( 199) = ( 0.2649573 0.4589194 0.6347630), wk = 0.0032680 k( 200) = ( 0.2564103 0.4441156 0.6347630), wk = 0.0032680 k( 201) = ( 0.2478633 0.4293117 0.6347630), wk = 0.0032680 k( 202) = ( 0.2393162 0.4145079 0.6347630), wk = 0.0032680 k( 203) = ( 0.2307692 0.3997040 0.6347630), wk = 0.0032680 k( 204) = ( 0.2222222 0.3849002 0.6347630), wk = 0.0032680 k( 205) = ( 0.2136752 0.3700963 0.6347630), wk = 0.0032680 k( 206) = ( 0.2051282 0.3552925 0.6347630), wk = 0.0032680 k( 207) = ( 0.1965812 0.3404886 0.6347630), wk = 0.0032680 k( 208) = ( 0.1880342 0.3256848 0.6347630), wk = 0.0032680 k( 209) = ( 0.1794872 0.3108809 0.6347630), wk = 0.0032680 k( 210) = ( 0.1709402 0.2960771 0.6347630), wk = 0.0032680 k( 211) = ( 0.1623932 0.2812732 0.6347630), wk = 0.0032680 k( 212) = ( 0.1538461 0.2664693 0.6347630), wk = 0.0032680 k( 213) = ( 0.1452991 0.2516655 0.6347630), wk = 0.0032680 k( 214) = ( 0.1367521 0.2368617 0.6347630), wk = 0.0032680 k( 215) = ( 0.1282051 0.2220578 0.6347630), wk = 0.0032680 k( 216) = ( 0.1196581 0.2072539 0.6347630), wk = 0.0032680 k( 217) = ( 0.1111111 0.1924501 0.6347630), wk = 0.0032680 k( 218) = ( 0.1025641 0.1776462 0.6347630), wk = 0.0032680 k( 219) = ( 0.0940171 0.1628424 0.6347630), wk = 0.0032680 k( 220) = ( 0.0854701 0.1480385 0.6347630), wk = 0.0032680 k( 221) = ( 0.0769231 0.1332347 0.6347630), wk = 0.0032680 k( 222) = ( 0.0683761 0.1184308 0.6347630), wk = 0.0032680 k( 223) = ( 0.0598291 0.1036270 0.6347630), wk = 0.0032680 k( 224) = ( 0.0512821 0.0888231 0.6347630), wk = 0.0032680 k( 225) = ( 0.0427350 0.0740193 0.6347630), wk = 0.0032680 k( 226) = ( 0.0341880 0.0592154 0.6347630), wk = 0.0032680 k( 227) = ( 0.0256410 0.0444116 0.6347630), wk = 0.0032680 k( 228) = ( 0.0170940 0.0296077 0.6347630), wk = 0.0032680 k( 229) = ( 0.0085470 0.0148039 0.6347630), wk = 0.0032680 k( 230) = ( 0.0000000 0.0000000 0.6347630), wk = 0.0032680 k( 231) = ( 0.5000000 0.2886751 0.6347630), wk = 0.0032680 k( 232) = ( 0.5000000 0.2886751 0.6176073), wk = 0.0032680 k( 233) = ( 0.5000000 0.2886751 0.6004515), wk = 0.0032680 k( 234) = ( 0.5000000 0.2886751 0.5832958), wk = 0.0032680 k( 235) = ( 0.5000000 0.2886751 0.5661400), wk = 0.0032680 k( 236) = ( 0.5000000 0.2886751 0.5489843), wk = 0.0032680 k( 237) = ( 0.5000000 0.2886751 0.5318285), wk = 0.0032680 k( 238) = ( 0.5000000 0.2886751 0.5146727), wk = 0.0032680 k( 239) = ( 0.5000000 0.2886751 0.4975170), wk = 0.0032680 k( 240) = ( 0.5000000 0.2886751 0.4803612), wk = 0.0032680 k( 241) = ( 0.5000000 0.2886751 0.4632055), wk = 0.0032680 k( 242) = ( 0.5000000 0.2886751 0.4460497), wk = 0.0032680 k( 243) = ( 0.5000000 0.2886751 0.4288940), wk = 0.0032680 k( 244) = ( 0.5000000 0.2886751 0.4117382), wk = 0.0032680 k( 245) = ( 0.5000000 0.2886751 0.3945824), wk = 0.0032680 k( 246) = ( 0.5000000 0.2886751 0.3774267), wk = 0.0032680 k( 247) = ( 0.5000000 0.2886751 0.3602709), wk = 0.0032680 k( 248) = ( 0.5000000 0.2886751 0.3431152), wk = 0.0032680 k( 249) = ( 0.5000000 0.2886751 0.3259594), wk = 0.0032680 k( 250) = ( 0.5000000 0.2886751 0.3088036), wk = 0.0032680 k( 251) = ( 0.5000000 0.2886751 0.2916479), wk = 0.0032680 k( 252) = ( 0.5000000 0.2886751 0.2744921), wk = 0.0032680 k( 253) = ( 0.5000000 0.2886751 0.2573364), wk = 0.0032680 k( 254) = ( 0.5000000 0.2886751 0.2401806), wk = 0.0032680 k( 255) = ( 0.5000000 0.2886751 0.2230249), wk = 0.0032680 k( 256) = ( 0.5000000 0.2886751 0.2058691), wk = 0.0032680 k( 257) = ( 0.5000000 0.2886751 0.1887133), wk = 0.0032680 k( 258) = ( 0.5000000 0.2886751 0.1715576), wk = 0.0032680 k( 259) = ( 0.5000000 0.2886751 0.1544018), wk = 0.0032680 k( 260) = ( 0.5000000 0.2886751 0.1372461), wk = 0.0032680 k( 261) = ( 0.5000000 0.2886751 0.1200903), wk = 0.0032680 k( 262) = ( 0.5000000 0.2886751 0.1029345), wk = 0.0032680 k( 263) = ( 0.5000000 0.2886751 0.0857788), wk = 0.0032680 k( 264) = ( 0.5000000 0.2886751 0.0686230), wk = 0.0032680 k( 265) = ( 0.5000000 0.2886751 0.0514673), wk = 0.0032680 k( 266) = ( 0.5000000 0.2886751 0.0343115), wk = 0.0032680 k( 267) = ( 0.5000000 0.2886751 0.0171558), wk = 0.0032680 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 270) = ( 0.3333333 0.5773503 0.0171558), wk = 0.0032680 k( 271) = ( 0.3333333 0.5773503 0.0343115), wk = 0.0032680 k( 272) = ( 0.3333333 0.5773503 0.0514673), wk = 0.0032680 k( 273) = ( 0.3333333 0.5773503 0.0686230), wk = 0.0032680 k( 274) = ( 0.3333333 0.5773503 0.0857788), wk = 0.0032680 k( 275) = ( 0.3333333 0.5773503 0.1029345), wk = 0.0032680 k( 276) = ( 0.3333333 0.5773503 0.1200903), wk = 0.0032680 k( 277) = ( 0.3333333 0.5773503 0.1372461), wk = 0.0032680 k( 278) = ( 0.3333333 0.5773503 0.1544018), wk = 0.0032680 k( 279) = ( 0.3333333 0.5773503 0.1715576), wk = 0.0032680 k( 280) = ( 0.3333333 0.5773503 0.1887133), wk = 0.0032680 k( 281) = ( 0.3333333 0.5773503 0.2058691), wk = 0.0032680 k( 282) = ( 0.3333333 0.5773503 0.2230249), wk = 0.0032680 k( 283) = ( 0.3333333 0.5773503 0.2401806), wk = 0.0032680 k( 284) = ( 0.3333333 0.5773503 0.2573364), wk = 0.0032680 k( 285) = ( 0.3333333 0.5773503 0.2744921), wk = 0.0032680 k( 286) = ( 0.3333333 0.5773503 0.2916479), wk = 0.0032680 k( 287) = ( 0.3333333 0.5773503 0.3088036), wk = 0.0032680 k( 288) = ( 0.3333333 0.5773503 0.3259594), wk = 0.0032680 k( 289) = ( 0.3333333 0.5773503 0.3431152), wk = 0.0032680 k( 290) = ( 0.3333333 0.5773503 0.3602709), wk = 0.0032680 k( 291) = ( 0.3333333 0.5773503 0.3774267), wk = 0.0032680 k( 292) = ( 0.3333333 0.5773503 0.3945824), wk = 0.0032680 k( 293) = ( 0.3333333 0.5773503 0.4117382), wk = 0.0032680 k( 294) = ( 0.3333333 0.5773503 0.4288940), wk = 0.0032680 k( 295) = ( 0.3333333 0.5773503 0.4460497), wk = 0.0032680 k( 296) = ( 0.3333333 0.5773503 0.4632055), wk = 0.0032680 k( 297) = ( 0.3333333 0.5773503 0.4803612), wk = 0.0032680 k( 298) = ( 0.3333333 0.5773503 0.4975170), wk = 0.0032680 k( 299) = ( 0.3333333 0.5773503 0.5146727), wk = 0.0032680 k( 300) = ( 0.3333333 0.5773503 0.5318285), wk = 0.0032680 k( 301) = ( 0.3333333 0.5773503 0.5489843), wk = 0.0032680 k( 302) = ( 0.3333333 0.5773503 0.5661400), wk = 0.0032680 k( 303) = ( 0.3333333 0.5773503 0.5832958), wk = 0.0032680 k( 304) = ( 0.3333333 0.5773503 0.6004515), wk = 0.0032680 k( 305) = ( 0.3333333 0.5773503 0.6176073), wk = 0.0032680 k( 306) = ( 0.3333333 0.5773503 0.6347630), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0441177 0.0000000 0.0000000), wk = 0.0032680 k( 5) = ( 0.0588235 0.0000000 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0735294 0.0000000 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0032680 k( 8) = ( 0.1029412 0.0000000 -0.0000000), wk = 0.0032680 k( 9) = ( 0.1176471 0.0000000 -0.0000000), wk = 0.0032680 k( 10) = ( 0.1323529 -0.0000000 -0.0000000), wk = 0.0032680 k( 11) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0032680 k( 12) = ( 0.1617647 -0.0000000 -0.0000000), wk = 0.0032680 k( 13) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0032680 k( 14) = ( 0.1911765 0.0000000 0.0000000), wk = 0.0032680 k( 15) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0032680 k( 16) = ( 0.2205882 0.0000000 0.0000000), wk = 0.0032680 k( 17) = ( 0.2352941 0.0000000 -0.0000000), wk = 0.0032680 k( 18) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0032680 k( 19) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0032680 k( 20) = ( 0.2794118 -0.0000000 -0.0000000), wk = 0.0032680 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0032680 k( 22) = ( 0.3088235 -0.0000000 -0.0000000), wk = 0.0032680 k( 23) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0032680 k( 24) = ( 0.3382353 0.0000000 0.0000000), wk = 0.0032680 k( 25) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0032680 k( 26) = ( 0.3676471 0.0000000 -0.0000000), wk = 0.0032680 k( 27) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0032680 k( 28) = ( 0.3970588 0.0000000 -0.0000000), wk = 0.0032680 k( 29) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0032680 k( 30) = ( 0.4264706 0.0000000 -0.0000000), wk = 0.0032680 k( 31) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0032680 k( 32) = ( 0.4558823 0.0000000 -0.0000000), wk = 0.0032680 k( 33) = ( 0.4705882 0.0000000 -0.0000000), wk = 0.0032680 k( 34) = ( 0.4852941 -0.0000000 -0.0000000), wk = 0.0032680 k( 35) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032680 k( 36) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032680 k( 37) = ( 0.4916667 0.0166667 -0.0000000), wk = 0.0032680 k( 38) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0032680 k( 39) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0032680 k( 40) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0032680 k( 41) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0032680 k( 42) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0032680 k( 43) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0032680 k( 44) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0032680 k( 45) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0032680 k( 46) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0032680 k( 47) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0032680 k( 48) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0032680 k( 49) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0032680 k( 50) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0032680 k( 51) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0032680 k( 52) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0032680 k( 53) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0032680 k( 54) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0032680 k( 55) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0032680 k( 56) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 58) = ( 0.3247863 0.3247863 -0.0000000), wk = 0.0032680 k( 59) = ( 0.3162393 0.3162393 -0.0000000), wk = 0.0032680 k( 60) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0032680 k( 61) = ( 0.2991453 0.2991453 0.0000000), wk = 0.0032680 k( 62) = ( 0.2905983 0.2905983 0.0000000), wk = 0.0032680 k( 63) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0032680 k( 64) = ( 0.2735043 0.2735043 -0.0000000), wk = 0.0032680 k( 65) = ( 0.2649573 0.2649573 -0.0000000), wk = 0.0032680 k( 66) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0032680 k( 67) = ( 0.2478633 0.2478633 0.0000000), wk = 0.0032680 k( 68) = ( 0.2393162 0.2393162 -0.0000000), wk = 0.0032680 k( 69) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0032680 k( 70) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0032680 k( 71) = ( 0.2136752 0.2136752 0.0000000), wk = 0.0032680 k( 72) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0032680 k( 73) = ( 0.1965812 0.1965812 -0.0000000), wk = 0.0032680 k( 74) = ( 0.1880342 0.1880342 0.0000000), wk = 0.0032680 k( 75) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0032680 k( 76) = ( 0.1709402 0.1709402 -0.0000000), wk = 0.0032680 k( 77) = ( 0.1623932 0.1623932 -0.0000000), wk = 0.0032680 k( 78) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0032680 k( 79) = ( 0.1452991 0.1452991 -0.0000000), wk = 0.0032680 k( 80) = ( 0.1367521 0.1367521 0.0000000), wk = 0.0032680 k( 81) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0032680 k( 82) = ( 0.1196581 0.1196581 -0.0000000), wk = 0.0032680 k( 83) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0032680 k( 84) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0032680 k( 85) = ( 0.0940171 0.0940171 -0.0000000), wk = 0.0032680 k( 86) = ( 0.0854701 0.0854701 -0.0000000), wk = 0.0032680 k( 87) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0032680 k( 88) = ( 0.0683761 0.0683761 0.0000000), wk = 0.0032680 k( 89) = ( 0.0598291 0.0598291 -0.0000000), wk = 0.0032680 k( 90) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0032680 k( 91) = ( 0.0427350 0.0427350 -0.0000000), wk = 0.0032680 k( 92) = ( 0.0341880 0.0341880 0.0000000), wk = 0.0032680 k( 93) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0032680 k( 94) = ( 0.0170940 0.0170940 0.0000000), wk = 0.0032680 k( 95) = ( 0.0085470 0.0085470 0.0000000), wk = 0.0032680 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 98) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0032680 k( 99) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0032680 k( 100) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0032680 k( 101) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0032680 k( 102) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0032680 k( 103) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0032680 k( 104) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0032680 k( 105) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0032680 k( 106) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0032680 k( 107) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0032680 k( 108) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0032680 k( 109) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0032680 k( 110) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0032680 k( 111) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0032680 k( 112) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0032680 k( 113) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0032680 k( 114) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0032680 k( 115) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0032680 k( 116) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0032680 k( 117) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0032680 k( 118) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0032680 k( 119) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0032680 k( 120) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0032680 k( 121) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0032680 k( 122) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0032680 k( 123) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0032680 k( 124) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0032680 k( 125) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0032680 k( 127) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0032680 k( 128) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 136) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0032680 k( 137) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0032680 k( 138) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0032680 k( 139) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0032680 k( 140) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0032680 k( 141) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0032680 k( 142) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0032680 k( 143) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0032680 k( 144) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0032680 k( 145) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0032680 k( 146) = ( 0.1617647 -0.0000000 0.5000000), wk = 0.0032680 k( 147) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0032680 k( 148) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0032680 k( 149) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0032680 k( 150) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0032680 k( 151) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0032680 k( 152) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032680 k( 153) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0032680 k( 154) = ( 0.2794118 -0.0000000 0.5000000), wk = 0.0032680 k( 155) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0032680 k( 156) = ( 0.3088235 -0.0000000 0.5000000), wk = 0.0032680 k( 157) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0032680 k( 158) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0032680 k( 159) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0032680 k( 160) = ( 0.3676471 0.0000000 0.5000000), wk = 0.0032680 k( 161) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0032680 k( 162) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0032680 k( 163) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0032680 k( 164) = ( 0.4264706 0.0000000 0.5000000), wk = 0.0032680 k( 165) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0032680 k( 166) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0032680 k( 167) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0032680 k( 168) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0032680 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 k( 171) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0032680 k( 172) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0032680 k( 173) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0032680 k( 174) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032680 k( 175) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0032680 k( 176) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0032680 k( 177) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0032680 k( 178) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032680 k( 179) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0032680 k( 180) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032680 k( 181) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0032680 k( 182) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032680 k( 183) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0032680 k( 184) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0032680 k( 185) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0032680 k( 186) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032680 k( 187) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0032680 k( 188) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0032680 k( 189) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0032680 k( 190) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 191) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 192) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0032680 k( 193) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0032680 k( 194) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0032680 k( 195) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0032680 k( 196) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0032680 k( 197) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0032680 k( 198) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0032680 k( 199) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0032680 k( 200) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0032680 k( 201) = ( 0.2478633 0.2478633 0.5000000), wk = 0.0032680 k( 202) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0032680 k( 203) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0032680 k( 204) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0032680 k( 205) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0032680 k( 206) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0032680 k( 207) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0032680 k( 208) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0032680 k( 209) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0032680 k( 210) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0032680 k( 211) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0032680 k( 212) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0032680 k( 213) = ( 0.1452991 0.1452991 0.5000000), wk = 0.0032680 k( 214) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0032680 k( 215) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0032680 k( 216) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0032680 k( 217) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0032680 k( 218) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0032680 k( 219) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0032680 k( 220) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0032680 k( 221) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0032680 k( 222) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0032680 k( 223) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0032680 k( 224) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0032680 k( 225) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0032680 k( 226) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0032680 k( 227) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0032680 k( 228) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0032680 k( 229) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0032680 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 k( 232) = ( 0.5000000 0.0000000 0.4864865), wk = 0.0032680 k( 233) = ( 0.5000000 0.0000000 0.4729730), wk = 0.0032680 k( 234) = ( 0.5000000 0.0000000 0.4594595), wk = 0.0032680 k( 235) = ( 0.5000000 0.0000000 0.4459459), wk = 0.0032680 k( 236) = ( 0.5000000 0.0000000 0.4324324), wk = 0.0032680 k( 237) = ( 0.5000000 0.0000000 0.4189189), wk = 0.0032680 k( 238) = ( 0.5000000 0.0000000 0.4054054), wk = 0.0032680 k( 239) = ( 0.5000000 0.0000000 0.3918919), wk = 0.0032680 k( 240) = ( 0.5000000 0.0000000 0.3783784), wk = 0.0032680 k( 241) = ( 0.5000000 0.0000000 0.3648649), wk = 0.0032680 k( 242) = ( 0.5000000 0.0000000 0.3513514), wk = 0.0032680 k( 243) = ( 0.5000000 0.0000000 0.3378378), wk = 0.0032680 k( 244) = ( 0.5000000 0.0000000 0.3243243), wk = 0.0032680 k( 245) = ( 0.5000000 0.0000000 0.3108108), wk = 0.0032680 k( 246) = ( 0.5000000 0.0000000 0.2972973), wk = 0.0032680 k( 247) = ( 0.5000000 0.0000000 0.2837838), wk = 0.0032680 k( 248) = ( 0.5000000 0.0000000 0.2702703), wk = 0.0032680 k( 249) = ( 0.5000000 0.0000000 0.2567568), wk = 0.0032680 k( 250) = ( 0.5000000 0.0000000 0.2432432), wk = 0.0032680 k( 251) = ( 0.5000000 0.0000000 0.2297297), wk = 0.0032680 k( 252) = ( 0.5000000 0.0000000 0.2162162), wk = 0.0032680 k( 253) = ( 0.5000000 0.0000000 0.2027027), wk = 0.0032680 k( 254) = ( 0.5000000 0.0000000 0.1891892), wk = 0.0032680 k( 255) = ( 0.5000000 0.0000000 0.1756757), wk = 0.0032680 k( 256) = ( 0.5000000 0.0000000 0.1621622), wk = 0.0032680 k( 257) = ( 0.5000000 0.0000000 0.1486486), wk = 0.0032680 k( 258) = ( 0.5000000 0.0000000 0.1351351), wk = 0.0032680 k( 259) = ( 0.5000000 0.0000000 0.1216216), wk = 0.0032680 k( 260) = ( 0.5000000 0.0000000 0.1081081), wk = 0.0032680 k( 261) = ( 0.5000000 0.0000000 0.0945946), wk = 0.0032680 k( 262) = ( 0.5000000 0.0000000 0.0810811), wk = 0.0032680 k( 263) = ( 0.5000000 0.0000000 0.0675676), wk = 0.0032680 k( 264) = ( 0.5000000 0.0000000 0.0540541), wk = 0.0032680 k( 265) = ( 0.5000000 0.0000000 0.0405405), wk = 0.0032680 k( 266) = ( 0.5000000 0.0000000 0.0270270), wk = 0.0032680 k( 267) = ( 0.5000000 0.0000000 0.0135135), wk = 0.0032680 k( 268) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032680 k( 269) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 270) = ( 0.3333333 0.3333333 0.0135135), wk = 0.0032680 k( 271) = ( 0.3333333 0.3333333 0.0270270), wk = 0.0032680 k( 272) = ( 0.3333333 0.3333333 0.0405405), wk = 0.0032680 k( 273) = ( 0.3333333 0.3333333 0.0540540), wk = 0.0032680 k( 274) = ( 0.3333333 0.3333333 0.0675676), wk = 0.0032680 k( 275) = ( 0.3333333 0.3333333 0.0810811), wk = 0.0032680 k( 276) = ( 0.3333333 0.3333333 0.0945946), wk = 0.0032680 k( 277) = ( 0.3333333 0.3333333 0.1081081), wk = 0.0032680 k( 278) = ( 0.3333333 0.3333333 0.1216216), wk = 0.0032680 k( 279) = ( 0.3333333 0.3333333 0.1351351), wk = 0.0032680 k( 280) = ( 0.3333333 0.3333333 0.1486487), wk = 0.0032680 k( 281) = ( 0.3333333 0.3333333 0.1621622), wk = 0.0032680 k( 282) = ( 0.3333333 0.3333333 0.1756757), wk = 0.0032680 k( 283) = ( 0.3333333 0.3333333 0.1891892), wk = 0.0032680 k( 284) = ( 0.3333333 0.3333333 0.2027027), wk = 0.0032680 k( 285) = ( 0.3333333 0.3333333 0.2162162), wk = 0.0032680 k( 286) = ( 0.3333333 0.3333333 0.2297297), wk = 0.0032680 k( 287) = ( 0.3333333 0.3333333 0.2432432), wk = 0.0032680 k( 288) = ( 0.3333333 0.3333333 0.2567568), wk = 0.0032680 k( 289) = ( 0.3333333 0.3333333 0.2702703), wk = 0.0032680 k( 290) = ( 0.3333333 0.3333333 0.2837838), wk = 0.0032680 k( 291) = ( 0.3333333 0.3333333 0.2972973), wk = 0.0032680 k( 292) = ( 0.3333333 0.3333333 0.3108108), wk = 0.0032680 k( 293) = ( 0.3333333 0.3333333 0.3243243), wk = 0.0032680 k( 294) = ( 0.3333333 0.3333333 0.3378378), wk = 0.0032680 k( 295) = ( 0.3333333 0.3333333 0.3513514), wk = 0.0032680 k( 296) = ( 0.3333333 0.3333333 0.3648649), wk = 0.0032680 k( 297) = ( 0.3333333 0.3333333 0.3783784), wk = 0.0032680 k( 298) = ( 0.3333333 0.3333333 0.3918919), wk = 0.0032680 k( 299) = ( 0.3333333 0.3333333 0.4054054), wk = 0.0032680 k( 300) = ( 0.3333333 0.3333333 0.4189189), wk = 0.0032680 k( 301) = ( 0.3333333 0.3333333 0.4324324), wk = 0.0032680 k( 302) = ( 0.3333333 0.3333333 0.4459459), wk = 0.0032680 k( 303) = ( 0.3333333 0.3333333 0.4594595), wk = 0.0032680 k( 304) = ( 0.3333333 0.3333333 0.4729730), wk = 0.0032680 k( 305) = ( 0.3333333 0.3333333 0.4864865), wk = 0.0032680 k( 306) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 Dense grid: 55747 G-vectors FFT dimensions: ( 54, 54, 45) Smooth grid: 30305 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 224, 84) NL pseudopotentials 0.35 Mb ( 112, 204) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1549) G-vector shells 0.01 Mb ( 661) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 224, 336) Each subspace H/S matrix 0.11 Mb ( 84, 84) Each matrix 0.52 Mb ( 204, 2, 84) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./CaZn5.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 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.7 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.1 secs Computing kpt #: 11 total cpu time spent up to now is 10.9 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.0 secs Computing kpt #: 16 total cpu time spent up to now is 14.8 secs Computing kpt #: 17 total cpu time spent up to now is 15.5 secs Computing kpt #: 18 total cpu time spent up to now is 16.2 secs Computing kpt #: 19 total cpu time spent up to now is 17.0 secs Computing kpt #: 20 total cpu time spent up to now is 17.8 secs Computing kpt #: 21 total cpu time spent up to now is 18.6 secs Computing kpt #: 22 total cpu time spent up to now is 19.3 secs Computing kpt #: 23 total cpu time spent up to now is 20.1 secs Computing kpt #: 24 total cpu time spent up to now is 20.9 secs Computing kpt #: 25 total cpu time spent up to now is 21.6 secs Computing kpt #: 26 total cpu time spent up to now is 22.6 secs Computing kpt #: 27 total cpu time spent up to now is 23.7 secs Computing kpt #: 28 total cpu time spent up to now is 24.5 secs Computing kpt #: 29 total cpu time spent up to now is 25.3 secs Computing kpt #: 30 total cpu time spent up to now is 26.1 secs Computing kpt #: 31 total cpu time spent up to now is 26.8 secs Computing kpt #: 32 total cpu time spent up to now is 27.6 secs Computing kpt #: 33 total cpu time spent up to now is 28.3 secs Computing kpt #: 34 total cpu time spent up to now is 29.1 secs Computing kpt #: 35 total cpu time spent up to now is 29.8 secs Computing kpt #: 36 total cpu time spent up to now is 30.6 secs Computing kpt #: 37 total cpu time spent up to now is 31.4 secs Computing kpt #: 38 total cpu time spent up to now is 32.1 secs Computing kpt #: 39 total cpu time spent up to now is 32.9 secs Computing kpt #: 40 total cpu time spent up to now is 33.6 secs Computing kpt #: 41 total cpu time spent up to now is 34.4 secs Computing kpt #: 42 total cpu time spent up to now is 35.2 secs Computing kpt #: 43 total cpu time spent up to now is 36.0 secs Computing kpt #: 44 total cpu time spent up to now is 36.8 secs Computing kpt #: 45 total cpu time spent up to now is 37.5 secs Computing kpt #: 46 total cpu time spent up to now is 38.3 secs Computing kpt #: 47 total cpu time spent up to now is 39.1 secs Computing kpt #: 48 total cpu time spent up to now is 39.9 secs Computing kpt #: 49 total cpu time spent up to now is 40.7 secs Computing kpt #: 50 total cpu time spent up to now is 41.5 secs Computing kpt #: 51 total cpu time spent up to now is 42.3 secs Computing kpt #: 52 total cpu time spent up to now is 43.1 secs Computing kpt #: 53 total cpu time spent up to now is 44.0 secs Computing kpt #: 54 total cpu time spent up to now is 44.8 secs Computing kpt #: 55 total cpu time spent up to now is 45.6 secs Computing kpt #: 56 total cpu time spent up to now is 46.4 secs Computing kpt #: 57 total cpu time spent up to now is 47.3 secs Computing kpt #: 58 total cpu time spent up to now is 48.1 secs Computing kpt #: 59 total cpu time spent up to now is 48.9 secs Computing kpt #: 60 total cpu time spent up to now is 49.7 secs Computing kpt #: 61 total cpu time spent up to now is 50.5 secs Computing kpt #: 62 total cpu time spent up to now is 51.2 secs Computing kpt #: 63 total cpu time spent up to now is 52.0 secs Computing kpt #: 64 total cpu time spent up to now is 52.7 secs Computing kpt #: 65 total cpu time spent up to now is 53.5 secs Computing kpt #: 66 total cpu time spent up to now is 54.2 secs Computing kpt #: 67 total cpu time spent up to now is 55.0 secs Computing kpt #: 68 total cpu time spent up to now is 55.8 secs Computing kpt #: 69 total cpu time spent up to now is 56.5 secs Computing kpt #: 70 total cpu time spent up to now is 57.4 secs Computing kpt #: 71 total cpu time spent up to now is 58.2 secs Computing kpt #: 72 total cpu time spent up to now is 59.0 secs Computing kpt #: 73 total cpu time spent up to now is 59.9 secs Computing kpt #: 74 total cpu time spent up to now is 60.7 secs Computing kpt #: 75 total cpu time spent up to now is 61.6 secs Computing kpt #: 76 total cpu time spent up to now is 62.4 secs Computing kpt #: 77 total cpu time spent up to now is 63.3 secs Computing kpt #: 78 total cpu time spent up to now is 64.1 secs Computing kpt #: 79 total cpu time spent up to now is 64.9 secs Computing kpt #: 80 total cpu time spent up to now is 65.8 secs Computing kpt #: 81 total cpu time spent up to now is 66.6 secs Computing kpt #: 82 total cpu time spent up to now is 67.5 secs Computing kpt #: 83 total cpu time spent up to now is 68.3 secs Computing kpt #: 84 total cpu time spent up to now is 69.1 secs Computing kpt #: 85 total cpu time spent up to now is 70.0 secs Computing kpt #: 86 total cpu time spent up to now is 70.8 secs Computing kpt #: 87 total cpu time spent up to now is 71.6 secs Computing kpt #: 88 total cpu time spent up to now is 72.4 secs Computing kpt #: 89 total cpu time spent up to now is 73.2 secs Computing kpt #: 90 total cpu time spent up to now is 74.0 secs Computing kpt #: 91 total cpu time spent up to now is 74.7 secs Computing kpt #: 92 total cpu time spent up to now is 75.5 secs Computing kpt #: 93 total cpu time spent up to now is 76.3 secs Computing kpt #: 94 total cpu time spent up to now is 77.0 secs Computing kpt #: 95 total cpu time spent up to now is 77.7 secs Computing kpt #: 96 total cpu time spent up to now is 78.5 secs Computing kpt #: 97 total cpu time spent up to now is 79.2 secs Computing kpt #: 98 total cpu time spent up to now is 80.0 secs Computing kpt #: 99 total cpu time spent up to now is 80.7 secs Computing kpt #: 100 total cpu time spent up to now is 81.5 secs Computing kpt #: 101 total cpu time spent up to now is 82.2 secs Computing kpt #: 102 total cpu time spent up to now is 83.0 secs Computing kpt #: 103 total cpu time spent up to now is 83.9 secs Computing kpt #: 104 total cpu time spent up to now is 84.7 secs Computing kpt #: 105 total cpu time spent up to now is 85.5 secs Computing kpt #: 106 total cpu time spent up to now is 86.3 secs Computing kpt #: 107 total cpu time spent up to now is 87.1 secs Computing kpt #: 108 total cpu time spent up to now is 87.9 secs Computing kpt #: 109 total cpu time spent up to now is 88.7 secs Computing kpt #: 110 total cpu time spent up to now is 89.5 secs Computing kpt #: 111 total cpu time spent up to now is 90.3 secs Computing kpt #: 112 total cpu time spent up to now is 91.1 secs Computing kpt #: 113 total cpu time spent up to now is 91.8 secs Computing kpt #: 114 total cpu time spent up to now is 92.5 secs Computing kpt #: 115 total cpu time spent up to now is 93.2 secs Computing kpt #: 116 total cpu time spent up to now is 93.8 secs Computing kpt #: 117 total cpu time spent up to now is 94.5 secs Computing kpt #: 118 total cpu time spent up to now is 95.2 secs Computing kpt #: 119 total cpu time spent up to now is 95.9 secs Computing kpt #: 120 total cpu time spent up to now is 96.5 secs Computing kpt #: 121 total cpu time spent up to now is 97.2 secs Computing kpt #: 122 total cpu time spent up to now is 97.9 secs Computing kpt #: 123 total cpu time spent up to now is 98.6 secs Computing kpt #: 124 total cpu time spent up to now is 99.3 secs Computing kpt #: 125 total cpu time spent up to now is 100.0 secs Computing kpt #: 126 total cpu time spent up to now is 100.7 secs Computing kpt #: 127 total cpu time spent up to now is 101.4 secs Computing kpt #: 128 total cpu time spent up to now is 102.1 secs Computing kpt #: 129 total cpu time spent up to now is 102.9 secs Computing kpt #: 130 total cpu time spent up to now is 103.6 secs Computing kpt #: 131 total cpu time spent up to now is 104.3 secs Computing kpt #: 132 total cpu time spent up to now is 105.1 secs Computing kpt #: 133 total cpu time spent up to now is 105.8 secs Computing kpt #: 134 total cpu time spent up to now is 106.4 secs Computing kpt #: 135 total cpu time spent up to now is 107.0 secs Computing kpt #: 136 total cpu time spent up to now is 107.7 secs Computing kpt #: 137 total cpu time spent up to now is 108.4 secs Computing kpt #: 138 total cpu time spent up to now is 109.1 secs Computing kpt #: 139 total cpu time spent up to now is 109.8 secs Computing kpt #: 140 total cpu time spent up to now is 110.5 secs Computing kpt #: 141 total cpu time spent up to now is 111.2 secs Computing kpt #: 142 total cpu time spent up to now is 111.9 secs Computing kpt #: 143 total cpu time spent up to now is 112.7 secs Computing kpt #: 144 total cpu time spent up to now is 113.4 secs Computing kpt #: 145 total cpu time spent up to now is 114.1 secs Computing kpt #: 146 total cpu time spent up to now is 114.8 secs Computing kpt #: 147 total cpu time spent up to now is 115.5 secs Computing kpt #: 148 total cpu time spent up to now is 116.3 secs Computing kpt #: 149 total cpu time spent up to now is 117.0 secs Computing kpt #: 150 total cpu time spent up to now is 117.7 secs Computing kpt #: 151 total cpu time spent up to now is 118.4 secs Computing kpt #: 152 total cpu time spent up to now is 119.1 secs Computing kpt #: 153 total cpu time spent up to now is 119.8 secs Computing kpt #: 154 total cpu time spent up to now is 120.5 secs Computing kpt #: 155 total cpu time spent up to now is 121.3 secs Computing kpt #: 156 total cpu time spent up to now is 122.0 secs Computing kpt #: 157 total cpu time spent up to now is 122.7 secs Computing kpt #: 158 total cpu time spent up to now is 123.5 secs Computing kpt #: 159 total cpu time spent up to now is 124.3 secs Computing kpt #: 160 total cpu time spent up to now is 125.1 secs Computing kpt #: 161 total cpu time spent up to now is 125.9 secs Computing kpt #: 162 total cpu time spent up to now is 126.7 secs Computing kpt #: 163 total cpu time spent up to now is 127.4 secs Computing kpt #: 164 total cpu time spent up to now is 128.2 secs Computing kpt #: 165 total cpu time spent up to now is 129.0 secs Computing kpt #: 166 total cpu time spent up to now is 129.8 secs Computing kpt #: 167 total cpu time spent up to now is 130.6 secs Computing kpt #: 168 total cpu time spent up to now is 131.3 secs Computing kpt #: 169 total cpu time spent up to now is 132.1 secs Computing kpt #: 170 total cpu time spent up to now is 132.9 secs Computing kpt #: 171 total cpu time spent up to now is 133.7 secs Computing kpt #: 172 total cpu time spent up to now is 134.5 secs Computing kpt #: 173 total cpu time spent up to now is 135.2 secs Computing kpt #: 174 total cpu time spent up to now is 136.0 secs Computing kpt #: 175 total cpu time spent up to now is 136.7 secs Computing kpt #: 176 total cpu time spent up to now is 137.4 secs Computing kpt #: 177 total cpu time spent up to now is 138.2 secs Computing kpt #: 178 total cpu time spent up to now is 138.9 secs Computing kpt #: 179 total cpu time spent up to now is 139.6 secs Computing kpt #: 180 total cpu time spent up to now is 140.4 secs Computing kpt #: 181 total cpu time spent up to now is 141.1 secs Computing kpt #: 182 total cpu time spent up to now is 141.9 secs Computing kpt #: 183 total cpu time spent up to now is 142.6 secs Computing kpt #: 184 total cpu time spent up to now is 143.4 secs Computing kpt #: 185 total cpu time spent up to now is 144.2 secs Computing kpt #: 186 total cpu time spent up to now is 145.0 secs Computing kpt #: 187 total cpu time spent up to now is 145.8 secs Computing kpt #: 188 total cpu time spent up to now is 146.6 secs Computing kpt #: 189 total cpu time spent up to now is 147.5 secs Computing kpt #: 190 total cpu time spent up to now is 148.3 secs Computing kpt #: 191 total cpu time spent up to now is 149.2 secs Computing kpt #: 192 total cpu time spent up to now is 150.0 secs Computing kpt #: 193 total cpu time spent up to now is 150.8 secs Computing kpt #: 194 total cpu time spent up to now is 151.7 secs Computing kpt #: 195 total cpu time spent up to now is 152.6 secs Computing kpt #: 196 total cpu time spent up to now is 153.4 secs Computing kpt #: 197 total cpu time spent up to now is 154.2 secs Computing kpt #: 198 total cpu time spent up to now is 154.9 secs Computing kpt #: 199 total cpu time spent up to now is 155.7 secs Computing kpt #: 200 total cpu time spent up to now is 156.5 secs Computing kpt #: 201 total cpu time spent up to now is 157.3 secs Computing kpt #: 202 total cpu time spent up to now is 158.1 secs Computing kpt #: 203 total cpu time spent up to now is 158.9 secs Computing kpt #: 204 total cpu time spent up to now is 159.7 secs Computing kpt #: 205 total cpu time spent up to now is 160.5 secs Computing kpt #: 206 total cpu time spent up to now is 161.3 secs Computing kpt #: 207 total cpu time spent up to now is 162.1 secs Computing kpt #: 208 total cpu time spent up to now is 162.8 secs Computing kpt #: 209 total cpu time spent up to now is 163.5 secs Computing kpt #: 210 total cpu time spent up to now is 164.2 secs Computing kpt #: 211 total cpu time spent up to now is 164.9 secs Computing kpt #: 212 total cpu time spent up to now is 165.6 secs Computing kpt #: 213 total cpu time spent up to now is 166.3 secs Computing kpt #: 214 total cpu time spent up to now is 167.0 secs Computing kpt #: 215 total cpu time spent up to now is 167.7 secs Computing kpt #: 216 total cpu time spent up to now is 168.4 secs Computing kpt #: 217 total cpu time spent up to now is 169.1 secs Computing kpt #: 218 total cpu time spent up to now is 169.8 secs Computing kpt #: 219 total cpu time spent up to now is 170.5 secs Computing kpt #: 220 total cpu time spent up to now is 171.2 secs Computing kpt #: 221 total cpu time spent up to now is 171.9 secs Computing kpt #: 222 total cpu time spent up to now is 172.6 secs Computing kpt #: 223 total cpu time spent up to now is 173.4 secs Computing kpt #: 224 total cpu time spent up to now is 174.1 secs Computing kpt #: 225 total cpu time spent up to now is 174.8 secs Computing kpt #: 226 total cpu time spent up to now is 175.5 secs Computing kpt #: 227 total cpu time spent up to now is 176.3 secs Computing kpt #: 228 total cpu time spent up to now is 177.0 secs Computing kpt #: 229 total cpu time spent up to now is 177.6 secs Computing kpt #: 230 total cpu time spent up to now is 178.2 secs Computing kpt #: 231 total cpu time spent up to now is 179.0 secs Computing kpt #: 232 total cpu time spent up to now is 179.8 secs Computing kpt #: 233 total cpu time spent up to now is 180.5 secs Computing kpt #: 234 total cpu time spent up to now is 181.3 secs Computing kpt #: 235 total cpu time spent up to now is 182.0 secs Computing kpt #: 236 total cpu time spent up to now is 182.7 secs Computing kpt #: 237 total cpu time spent up to now is 183.4 secs Computing kpt #: 238 total cpu time spent up to now is 184.2 secs Computing kpt #: 239 total cpu time spent up to now is 184.9 secs Computing kpt #: 240 total cpu time spent up to now is 185.7 secs Computing kpt #: 241 total cpu time spent up to now is 186.4 secs Computing kpt #: 242 total cpu time spent up to now is 187.2 secs Computing kpt #: 243 total cpu time spent up to now is 187.9 secs Computing kpt #: 244 total cpu time spent up to now is 188.7 secs Computing kpt #: 245 total cpu time spent up to now is 189.5 secs Computing kpt #: 246 total cpu time spent up to now is 190.3 secs Computing kpt #: 247 total cpu time spent up to now is 191.1 secs Computing kpt #: 248 total cpu time spent up to now is 191.8 secs Computing kpt #: 249 total cpu time spent up to now is 192.6 secs Computing kpt #: 250 total cpu time spent up to now is 193.3 secs Computing kpt #: 251 total cpu time spent up to now is 194.0 secs Computing kpt #: 252 total cpu time spent up to now is 194.8 secs Computing kpt #: 253 total cpu time spent up to now is 195.6 secs Computing kpt #: 254 total cpu time spent up to now is 196.3 secs Computing kpt #: 255 total cpu time spent up to now is 197.1 secs Computing kpt #: 256 total cpu time spent up to now is 197.9 secs Computing kpt #: 257 total cpu time spent up to now is 198.8 secs Computing kpt #: 258 total cpu time spent up to now is 199.6 secs Computing kpt #: 259 total cpu time spent up to now is 200.4 secs Computing kpt #: 260 total cpu time spent up to now is 201.2 secs Computing kpt #: 261 total cpu time spent up to now is 202.1 secs Computing kpt #: 262 total cpu time spent up to now is 202.9 secs Computing kpt #: 263 total cpu time spent up to now is 203.7 secs Computing kpt #: 264 total cpu time spent up to now is 204.5 secs Computing kpt #: 265 total cpu time spent up to now is 205.4 secs Computing kpt #: 266 total cpu time spent up to now is 206.2 secs Computing kpt #: 267 total cpu time spent up to now is 206.9 secs Computing kpt #: 268 total cpu time spent up to now is 207.6 secs Computing kpt #: 269 total cpu time spent up to now is 208.5 secs Computing kpt #: 270 total cpu time spent up to now is 209.3 secs Computing kpt #: 271 total cpu time spent up to now is 210.2 secs Computing kpt #: 272 total cpu time spent up to now is 211.0 secs Computing kpt #: 273 total cpu time spent up to now is 211.9 secs Computing kpt #: 274 total cpu time spent up to now is 212.7 secs Computing kpt #: 275 total cpu time spent up to now is 213.6 secs Computing kpt #: 276 total cpu time spent up to now is 214.4 secs Computing kpt #: 277 total cpu time spent up to now is 215.3 secs Computing kpt #: 278 total cpu time spent up to now is 216.1 secs Computing kpt #: 279 total cpu time spent up to now is 217.0 secs Computing kpt #: 280 total cpu time spent up to now is 217.8 secs Computing kpt #: 281 total cpu time spent up to now is 218.6 secs Computing kpt #: 282 total cpu time spent up to now is 219.5 secs Computing kpt #: 283 total cpu time spent up to now is 220.3 secs Computing kpt #: 284 total cpu time spent up to now is 221.2 secs Computing kpt #: 285 total cpu time spent up to now is 222.0 secs Computing kpt #: 286 total cpu time spent up to now is 222.8 secs Computing kpt #: 287 total cpu time spent up to now is 223.7 secs Computing kpt #: 288 total cpu time spent up to now is 224.5 secs Computing kpt #: 289 total cpu time spent up to now is 225.4 secs Computing kpt #: 290 total cpu time spent up to now is 226.2 secs Computing kpt #: 291 total cpu time spent up to now is 227.0 secs Computing kpt #: 292 total cpu time spent up to now is 227.9 secs Computing kpt #: 293 total cpu time spent up to now is 228.7 secs Computing kpt #: 294 total cpu time spent up to now is 229.6 secs Computing kpt #: 295 total cpu time spent up to now is 230.4 secs Computing kpt #: 296 total cpu time spent up to now is 231.3 secs Computing kpt #: 297 total cpu time spent up to now is 232.1 secs Computing kpt #: 298 total cpu time spent up to now is 232.9 secs Computing kpt #: 299 total cpu time spent up to now is 233.8 secs Computing kpt #: 300 total cpu time spent up to now is 234.6 secs Computing kpt #: 301 total cpu time spent up to now is 235.4 secs Computing kpt #: 302 total cpu time spent up to now is 236.3 secs Computing kpt #: 303 total cpu time spent up to now is 237.2 secs Computing kpt #: 304 total cpu time spent up to now is 238.0 secs Computing kpt #: 305 total cpu time spent up to now is 238.9 secs Computing kpt #: 306 total cpu time spent up to now is 239.8 secs ethr = 1.43E-08, avg # of iterations = 16.9 total cpu time spent up to now is 239.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3761 PWs) bands (ev): -31.3194 -31.3194 -12.5992 -12.5992 -12.2356 -12.2356 -12.2077 -12.2077 0.2474 0.2474 1.6875 1.6875 1.9087 1.9087 1.9163 1.9163 1.9614 1.9614 1.9637 1.9637 2.0204 2.0204 2.0995 2.0995 2.1401 2.1401 2.2494 2.2494 2.2560 2.2560 2.2800 2.2800 2.4646 2.4646 2.5399 2.5399 2.6182 2.6182 2.6470 2.6470 2.6952 2.6952 2.7184 2.7184 2.7280 2.7280 2.8383 2.8383 2.8685 2.8685 2.8872 2.8872 2.9799 2.9799 3.0920 3.0920 3.2091 3.2091 3.2268 3.2268 6.3197 6.3197 7.4906 7.4906 7.5301 7.5301 8.5955 8.5955 9.3149 9.3149 9.3445 9.3445 9.8209 9.8209 12.6555 12.6555 13.2783 13.2783 13.2838 13.2838 14.2619 14.2619 14.2723 14.2723 k = 0.0147 0.0085-0.0000 ( 3761 PWs) bands (ev): -31.3194 -31.3194 -12.5992 -12.5992 -12.2357 -12.2357 -12.2077 -12.2077 0.2486 0.2486 1.6880 1.6880 1.9088 1.9088 1.9164 1.9164 1.9614 1.9614 1.9638 1.9638 2.0206 2.0206 2.0994 2.0994 2.1401 2.1401 2.2496 2.2496 2.2542 2.2542 2.2818 2.2818 2.4642 2.4642 2.5398 2.5398 2.6183 2.6183 2.6472 2.6472 2.6953 2.6953 2.7185 2.7185 2.7281 2.7281 2.8382 2.8382 2.8685 2.8685 2.8871 2.8871 2.9798 2.9798 3.0917 3.0917 3.2089 3.2089 3.2264 3.2264 6.3036 6.3036 7.4946 7.4946 7.5378 7.5378 8.5969 8.5969 9.3143 9.3143 9.3455 9.3455 9.8265 9.8265 12.6603 12.6603 13.2774 13.2774 13.2830 13.2830 14.2593 14.2593 14.2710 14.2710 k = 0.0294 0.0170-0.0000 ( 3767 PWs) bands (ev): -31.3194 -31.3194 -12.5993 -12.5993 -12.2357 -12.2357 -12.2077 -12.2077 0.2524 0.2524 1.6893 1.6893 1.9092 1.9092 1.9167 1.9167 1.9617 1.9617 1.9641 1.9641 2.0211 2.0211 2.0991 2.0991 2.1399 2.1399 2.2489 2.2489 2.2509 2.2509 2.2860 2.2860 2.4630 2.4630 2.5397 2.5397 2.6184 2.6184 2.6477 2.6477 2.6957 2.6957 2.7188 2.7188 2.7284 2.7284 2.8380 2.8380 2.8682 2.8682 2.8868 2.8868 2.9794 2.9794 3.0906 3.0906 3.2080 3.2080 3.2253 3.2253 6.2577 6.2577 7.4930 7.4930 7.5722 7.5722 8.6010 8.6010 9.3063 9.3063 9.3552 9.3552 9.8427 9.8427 12.6745 12.6745 13.2743 13.2743 13.2813 13.2813 14.2473 14.2473 14.2718 14.2718 k = 0.0441 0.0255-0.0000 ( 3771 PWs) bands (ev): -31.3194 -31.3194 -12.5993 -12.5993 -12.2358 -12.2358 -12.2077 -12.2077 0.2586 0.2586 1.6915 1.6915 1.9097 1.9097 1.9172 1.9172 1.9620 1.9620 1.9645 1.9645 2.0220 2.0220 2.0985 2.0985 2.1397 2.1397 2.2436 2.2436 2.2514 2.2514 2.2913 2.2913 2.4610 2.4610 2.5394 2.5394 2.6187 2.6187 2.6487 2.6487 2.6962 2.6962 2.7193 2.7193 2.7289 2.7289 2.8377 2.8377 2.8679 2.8679 2.8862 2.8862 2.9789 2.9789 3.0888 3.0888 3.2066 3.2066 3.2235 3.2235 6.1879 6.1879 7.4805 7.4805 7.6322 7.6322 8.6079 8.6079 9.2892 9.2892 9.3781 9.3781 9.8676 9.8676 12.6977 12.6977 13.2680 13.2680 13.2792 13.2792 14.2255 14.2255 14.2756 14.2756 k = 0.0588 0.0340-0.0000 ( 3767 PWs) bands (ev): -31.3194 -31.3194 -12.5993 -12.5993 -12.2358 -12.2358 -12.2078 -12.2078 0.2674 0.2674 1.6946 1.6946 1.9105 1.9105 1.9180 1.9180 1.9625 1.9625 1.9652 1.9652 2.0233 2.0233 2.0977 2.0977 2.1394 2.1394 2.2373 2.2373 2.2527 2.2527 2.2970 2.2970 2.4583 2.4583 2.5392 2.5392 2.6192 2.6192 2.6502 2.6502 2.6970 2.6970 2.7200 2.7200 2.7295 2.7295 2.8372 2.8372 2.8675 2.8675 2.8856 2.8856 2.9781 2.9781 3.0864 3.0864 3.2045 3.2045 3.2212 3.2212 6.1006 6.1006 7.4612 7.4612 7.7067 7.7067 8.6176 8.6176 9.2686 9.2686 9.4118 9.4118 9.8989 9.8989 12.7290 12.7290 13.2590 13.2590 13.2761 13.2761 14.1962 14.1962 14.2817 14.2817 k = 0.0735 0.0425-0.0000 ( 3761 PWs) bands (ev): -31.3193 -31.3193 -12.5994 -12.5994 -12.2359 -12.2359 -12.2077 -12.2077 0.2786 0.2786 1.6986 1.6986 1.9115 1.9115 1.9190 1.9190 1.9632 1.9632 1.9660 1.9660 2.0250 2.0250 2.0966 2.0966 2.1391 2.1391 2.2309 2.2309 2.2545 2.2545 2.3027 2.3027 2.4549 2.4549 2.5389 2.5389 2.6197 2.6197 2.6520 2.6520 2.6978 2.6978 2.7210 2.7210 2.7304 2.7304 2.8366 2.8366 2.8669 2.8669 2.8847 2.8847 2.9772 2.9772 3.0832 3.0832 3.2014 3.2014 3.2186 3.2186 6.0012 6.0012 7.4368 7.4368 7.7873 7.7873 8.6299 8.6299 9.2497 9.2497 9.4547 9.4547 9.9349 9.9349 12.7673 12.7673 13.2475 13.2475 13.2711 13.2711 14.1607 14.1607 14.2897 14.2897 k = 0.0882 0.0509-0.0000 ( 3765 PWs) bands (ev): -31.3193 -31.3193 -12.5994 -12.5994 -12.2360 -12.2360 -12.2078 -12.2078 0.2922 0.2922 1.7034 1.7034 1.9125 1.9125 1.9203 1.9203 1.9641 1.9641 1.9670 1.9670 2.0268 2.0268 2.0953 2.0953 2.1387 2.1387 2.2242 2.2242 2.2566 2.2566 2.3084 2.3084 2.4509 2.4509 2.5387 2.5387 2.6204 2.6204 2.6541 2.6541 2.6987 2.6987 2.7220 2.7220 2.7315 2.7315 2.8359 2.8359 2.8662 2.8662 2.8836 2.8836 2.9760 2.9760 3.0793 3.0793 3.1973 3.1973 3.2159 3.2159 5.8937 5.8937 7.4083 7.4083 7.8670 7.8670 8.6450 8.6450 9.2372 9.2372 9.5056 9.5056 9.9744 9.9744 12.8110 12.8110 13.2337 13.2337 13.2631 13.2631 14.1204 14.1204 14.2995 14.2995 k = 0.1029 0.0594-0.0000 ( 3773 PWs) bands (ev): -31.3193 -31.3193 -12.5995 -12.5995 -12.2362 -12.2362 -12.2078 -12.2078 0.3081 0.3081 1.7090 1.7090 1.9136 1.9136 1.9219 1.9219 1.9652 1.9652 1.9680 1.9680 2.0289 2.0289 2.0936 2.0936 2.1382 2.1382 2.2176 2.2176 2.2592 2.2592 2.3140 2.3140 2.4465 2.4465 2.5385 2.5385 2.6211 2.6211 2.6566 2.6566 2.6997 2.6997 2.7232 2.7232 2.7328 2.7328 2.8349 2.8349 2.8653 2.8653 2.8825 2.8825 2.9746 2.9746 3.0745 3.0745 3.1921 3.1921 3.2132 3.2132 5.7810 5.7810 7.3765 7.3765 7.9397 7.9397 8.6627 8.6627 9.2359 9.2359 9.5636 9.5636 10.0168 10.0168 12.8586 12.8586 13.2180 13.2180 13.2507 13.2507 14.0760 14.0760 14.3111 14.3111 k = 0.1176 0.0679-0.0000 ( 3769 PWs) bands (ev): -31.3193 -31.3193 -12.5996 -12.5996 -12.2363 -12.2363 -12.2078 -12.2078 0.3265 0.3265 1.7154 1.7154 1.9146 1.9146 1.9238 1.9238 1.9665 1.9665 1.9691 1.9691 2.0312 2.0312 2.0915 2.0915 2.1379 2.1379 2.2112 2.2112 2.2622 2.2622 2.3193 2.3193 2.4418 2.4418 2.5385 2.5385 2.6220 2.6220 2.6594 2.6594 2.7008 2.7008 2.7246 2.7246 2.7343 2.7343 2.8339 2.8339 2.8643 2.8643 2.8812 2.8812 2.9730 2.9730 3.0690 3.0690 3.1857 3.1857 3.2108 3.2108 5.6649 5.6649 7.3423 7.3423 8.0000 8.0000 8.6829 8.6829 9.2501 9.2501 9.6280 9.6280 10.0618 10.0618 12.9079 12.9079 13.2005 13.2005 13.2323 13.2323 14.0282 14.0282 14.3244 14.3244 k = 0.1324 0.0764-0.0000 ( 3771 PWs) bands (ev): -31.3193 -31.3193 -12.5997 -12.5997 -12.2364 -12.2364 -12.2079 -12.2079 0.3471 0.3471 1.7226 1.7226 1.9156 1.9156 1.9260 1.9260 1.9680 1.9680 1.9704 1.9704 2.0335 2.0335 2.0890 2.0890 2.1374 2.1374 2.2050 2.2050 2.2655 2.2655 2.3244 2.3244 2.4369 2.4369 2.5387 2.5387 2.6229 2.6229 2.6625 2.6625 2.7018 2.7018 2.7261 2.7261 2.7360 2.7360 2.8327 2.8327 2.8631 2.8631 2.8799 2.8799 2.9711 2.9711 3.0628 3.0628 3.1781 3.1781 3.2085 3.2085 5.5469 5.5469 7.3062 7.3062 8.0439 8.0439 8.7057 8.7057 9.2832 9.2832 9.6979 9.6979 10.1095 10.1095 12.9570 12.9570 13.1816 13.1816 13.2061 13.2061 13.9772 13.9772 14.3393 14.3393 k = 0.1471 0.0849-0.0000 ( 3781 PWs) bands (ev): -31.3193 -31.3193 -12.5998 -12.5998 -12.2366 -12.2366 -12.2079 -12.2079 0.3699 0.3699 1.7304 1.7304 1.9164 1.9164 1.9286 1.9286 1.9696 1.9696 1.9716 1.9716 2.0357 2.0357 2.0861 2.0861 2.1370 2.1370 2.1991 2.1991 2.2693 2.2693 2.3290 2.3290 2.4320 2.4320 2.5391 2.5391 2.6240 2.6240 2.6658 2.6658 2.7028 2.7028 2.7277 2.7277 2.7378 2.7378 2.8314 2.8314 2.8617 2.8617 2.8785 2.8785 2.9691 2.9691 3.0557 3.0557 3.1696 3.1696 3.2064 3.2064 5.4279 5.4279 7.2690 7.2690 8.0693 8.0693 8.7310 8.7310 9.3366 9.3366 9.7726 9.7726 10.1604 10.1604 13.0036 13.0036 13.1614 13.1614 13.1703 13.1703 13.9227 13.9227 14.3117 14.3117 k = 0.1618 0.0934-0.0000 ( 3779 PWs) bands (ev): -31.3193 -31.3193 -12.5999 -12.5999 -12.2368 -12.2368 -12.2080 -12.2080 0.3949 0.3949 1.7389 1.7389 1.9172 1.9172 1.9315 1.9315 1.9714 1.9714 1.9730 1.9730 2.0375 2.0375 2.0831 2.0831 2.1366 2.1366 2.1937 2.1937 2.2736 2.2736 2.3333 2.3333 2.4274 2.4274 2.5397 2.5397 2.6252 2.6252 2.6693 2.6693 2.7037 2.7037 2.7295 2.7295 2.7398 2.7398 2.8300 2.8300 2.8601 2.8601 2.8772 2.8772 2.9669 2.9669 3.0479 3.0479 3.1602 3.1602 3.2045 3.2045 5.3085 5.3085 7.2311 7.2311 8.0767 8.0767 8.7586 8.7586 9.4092 9.4092 9.8515 9.8515 10.2150 10.2150 13.0456 13.0456 13.1233 13.1233 13.1408 13.1408 13.8643 13.8643 14.2482 14.2482 k = 0.1765 0.1019-0.0000 ( 3791 PWs) bands (ev): -31.3193 -31.3193 -12.6001 -12.6001 -12.2370 -12.2370 -12.2080 -12.2080 0.4219 0.4219 1.7480 1.7480 1.9177 1.9177 1.9346 1.9346 1.9732 1.9732 1.9746 1.9746 2.0387 2.0387 2.0798 2.0798 2.1360 2.1360 2.1890 2.1890 2.2782 2.2782 2.3370 2.3370 2.4234 2.4234 2.5406 2.5406 2.6264 2.6264 2.6730 2.6730 2.7046 2.7046 2.7313 2.7313 2.7419 2.7419 2.8284 2.8284 2.8583 2.8583 2.8759 2.8759 2.9645 2.9645 3.0394 3.0394 3.1499 3.1499 3.2026 3.2026 5.1894 5.1894 7.1929 7.1929 8.0684 8.0684 8.7886 8.7886 9.4977 9.4977 9.9340 9.9340 10.2744 10.2744 13.0631 13.0631 13.0833 13.0833 13.1191 13.1191 13.8013 13.8013 14.2009 14.2009 k = 0.1912 0.1104-0.0000 ( 3787 PWs) bands (ev): -31.3193 -31.3193 -12.6002 -12.6002 -12.2372 -12.2372 -12.2081 -12.2081 0.4509 0.4509 1.7577 1.7577 1.9182 1.9182 1.9380 1.9380 1.9747 1.9747 1.9766 1.9766 2.0388 2.0388 2.0767 2.0767 2.1353 2.1353 2.1850 2.1850 2.2832 2.2832 2.3401 2.3401 2.4202 2.4202 2.5418 2.5418 2.6278 2.6278 2.6769 2.6769 2.7054 2.7054 2.7332 2.7332 2.7442 2.7442 2.8268 2.8268 2.8564 2.8564 2.8746 2.8746 2.9619 2.9619 3.0302 3.0302 3.1388 3.1388 3.2009 3.2009 5.0710 5.0710 7.1549 7.1549 8.0476 8.0476 8.8207 8.8207 9.5979 9.5979 10.0195 10.0195 10.3398 10.3398 12.9952 12.9952 13.0963 13.0963 13.1109 13.1109 13.7332 13.7332 14.1692 14.1692 k = 0.2059 0.1189-0.0000 ( 3795 PWs) bands (ev): -31.3193 -31.3193 -12.6003 -12.6003 -12.2374 -12.2374 -12.2081 -12.2081 0.4817 0.4817 1.7678 1.7678 1.9186 1.9186 1.9416 1.9416 1.9761 1.9761 1.9787 1.9787 2.0373 2.0373 2.0743 2.0743 2.1342 2.1342 2.1820 2.1820 2.2885 2.2885 2.3425 2.3425 2.4183 2.4183 2.5433 2.5433 2.6293 2.6293 2.6809 2.6809 2.7063 2.7063 2.7351 2.7351 2.7465 2.7465 2.8250 2.8250 2.8543 2.8543 2.8734 2.8734 2.9591 2.9591 3.0204 3.0204 3.1271 3.1271 3.1994 3.1994 4.9535 4.9535 7.1174 7.1174 8.0177 8.0177 8.8550 8.8550 9.7050 9.7050 10.1074 10.1074 10.4129 10.4129 12.9167 12.9167 13.0743 13.0743 13.1304 13.1304 13.6598 13.6598 14.1520 14.1520 k = 0.2206 0.1274-0.0000 ( 3795 PWs) bands (ev): -31.3193 -31.3193 -12.6004 -12.6004 -12.2376 -12.2376 -12.2082 -12.2082 0.5143 0.5143 1.7783 1.7783 1.9188 1.9188 1.9453 1.9453 1.9774 1.9774 1.9808 1.9808 2.0341 2.0341 2.0726 2.0726 2.1328 2.1328 2.1798 2.1798 2.2943 2.2943 2.3442 2.3442 2.4178 2.4178 2.5452 2.5452 2.6310 2.6310 2.6850 2.6850 2.7070 2.7070 2.7371 2.7371 2.7490 2.7490 2.8232 2.8232 2.8521 2.8521 2.8723 2.8723 2.9561 2.9561 3.0100 3.0100 3.1148 3.1148 3.1979 3.1979 4.8373 4.8373 7.0807 7.0807 7.9813 7.9813 8.8912 8.8912 9.8146 9.8146 10.1973 10.1973 10.4955 10.4955 12.8305 12.8305 13.0520 13.0520 13.1417 13.1417 13.5812 13.5812 14.1471 14.1471 k = 0.2353 0.1358-0.0000 ( 3789 PWs) bands (ev): -31.3193 -31.3193 -12.6005 -12.6005 -12.2378 -12.2378 -12.2082 -12.2082 0.5486 0.5486 1.7891 1.7891 1.9190 1.9190 1.9492 1.9492 1.9786 1.9786 1.9825 1.9825 2.0294 2.0294 2.0718 2.0718 2.1310 2.1310 2.1786 2.1786 2.3003 2.3003 2.3453 2.3453 2.4190 2.4190 2.5473 2.5473 2.6328 2.6328 2.6891 2.6891 2.7078 2.7078 2.7390 2.7390 2.7515 2.7515 2.8214 2.8214 2.8499 2.8499 2.8713 2.8713 2.9529 2.9529 2.9992 2.9992 3.1020 3.1020 3.1966 3.1966 4.7227 4.7227 7.0451 7.0451 7.9409 7.9409 8.9293 8.9293 9.9225 9.9225 10.2887 10.2887 10.5895 10.5895 12.7387 12.7387 13.0298 13.0298 13.1448 13.1448 13.4985 13.4985 14.1527 14.1527 k = 0.2500 0.1443-0.0000 ( 3805 PWs) bands (ev): -31.3193 -31.3193 -12.6007 -12.6007 -12.2380 -12.2380 -12.2083 -12.2083 0.5842 0.5842 1.8000 1.8000 1.9189 1.9189 1.9530 1.9530 1.9794 1.9794 1.9835 1.9835 2.0240 2.0240 2.0715 2.0715 2.1289 2.1289 2.1780 2.1780 2.3064 2.3064 2.3461 2.3461 2.4220 2.4220 2.5497 2.5497 2.6347 2.6347 2.6931 2.6931 2.7086 2.7086 2.7406 2.7406 2.7541 2.7541 2.8197 2.8197 2.8475 2.8475 2.8703 2.8703 2.9494 2.9494 2.9881 2.9881 3.0887 3.0887 3.1953 3.1953 4.6097 4.6097 7.0106 7.0106 7.8981 7.8981 8.9690 8.9690 10.0259 10.0259 10.3811 10.3811 10.6962 10.6962 12.6432 12.6432 13.0080 13.0080 13.1396 13.1396 13.4134 13.4134 14.1667 14.1667 k = 0.2647 0.1528-0.0000 ( 3803 PWs) bands (ev): -31.3193 -31.3193 -12.6008 -12.6008 -12.2382 -12.2382 -12.2083 -12.2083 0.6211 0.6211 1.8111 1.8111 1.9187 1.9187 1.9567 1.9567 1.9791 1.9791 1.9839 1.9839 2.0193 2.0193 2.0715 2.0715 2.1266 2.1266 2.1778 2.1778 2.3126 2.3126 2.3470 2.3470 2.4267 2.4267 2.5525 2.5525 2.6368 2.6368 2.6969 2.6969 2.7096 2.7096 2.7420 2.7420 2.7569 2.7569 2.8181 2.8181 2.8453 2.8453 2.8695 2.8695 2.9454 2.9454 2.9770 2.9770 3.0751 3.0751 3.1942 3.1942 4.4987 4.4987 6.9775 6.9775 7.8542 7.8542 9.0102 9.0102 10.1227 10.1227 10.4741 10.4741 10.8160 10.8160 12.5457 12.5457 12.9867 12.9867 13.1247 13.1247 13.3297 13.3297 14.1876 14.1876 k = 0.2794 0.1613-0.0000 ( 3803 PWs) bands (ev): -31.3193 -31.3193 -12.6010 -12.6010 -12.2384 -12.2384 -12.2084 -12.2084 0.6591 0.6591 1.8221 1.8221 1.9183 1.9183 1.9595 1.9595 1.9759 1.9759 1.9848 1.9848 2.0165 2.0165 2.0714 2.0714 2.1242 2.1242 2.1776 2.1776 2.3189 2.3189 2.3483 2.3483 2.4333 2.4333 2.5555 2.5555 2.6389 2.6389 2.7004 2.7004 2.7108 2.7108 2.7429 2.7429 2.7601 2.7601 2.8167 2.8167 2.8431 2.8431 2.8688 2.8688 2.9407 2.9407 2.9662 2.9662 3.0613 3.0613 3.1931 3.1931 4.3898 4.3898 6.9460 6.9460 7.8103 7.8103 9.0527 9.0527 10.2129 10.2129 10.5671 10.5671 10.9480 10.9480 12.4475 12.4475 12.9660 12.9660 13.0956 13.0956 13.2545 13.2545 14.2139 14.2139 k = 0.2941 0.1698-0.0000 ( 3799 PWs) bands (ev): -31.3193 -31.3193 -12.6011 -12.6011 -12.2386 -12.2386 -12.2084 -12.2084 0.6980 0.6980 1.8329 1.8329 1.9176 1.9176 1.9592 1.9592 1.9719 1.9719 1.9865 1.9865 2.0160 2.0160 2.0712 2.0712 2.1219 2.1219 2.1772 2.1772 2.3252 2.3252 2.3503 2.3503 2.4415 2.4415 2.5588 2.5588 2.6412 2.6412 2.7031 2.7031 2.7126 2.7126 2.7433 2.7433 2.7637 2.7637 2.8157 2.8157 2.8410 2.8410 2.8681 2.8681 2.9348 2.9348 2.9564 2.9564 3.0473 3.0473 3.1922 3.1922 4.2833 4.2833 6.9161 6.9161 7.7671 7.7671 9.0962 9.0962 10.2969 10.2969 10.6597 10.6597 11.0903 11.0903 12.3498 12.3498 12.9461 12.9461 13.0441 13.0441 13.1983 13.1983 14.2445 14.2445 k = 0.3088 0.1783-0.0000 ( 3799 PWs) bands (ev): -31.3193 -31.3193 -12.6012 -12.6012 -12.2388 -12.2388 -12.2085 -12.2085 0.7375 0.7375 1.8434 1.8434 1.9164 1.9164 1.9520 1.9520 1.9720 1.9720 1.9888 1.9888 2.0173 2.0173 2.0707 2.0707 2.1198 2.1198 2.1763 2.1763 2.3315 2.3315 2.3530 2.3530 2.4514 2.4514 2.5623 2.5623 2.6436 2.6436 2.7049 2.7049 2.7151 2.7151 2.7431 2.7431 2.7676 2.7676 2.8150 2.8150 2.8391 2.8391 2.8676 2.8676 2.9270 2.9270 2.9484 2.9484 3.0333 3.0333 3.1913 3.1913 4.1792 4.1792 6.8880 6.8880 7.7253 7.7253 9.1405 9.1405 10.3761 10.3761 10.7511 10.7511 11.2402 11.2402 12.2535 12.2535 12.9271 12.9271 12.9717 12.9717 13.1625 13.1625 14.2783 14.2783 k = 0.3235 0.1868-0.0000 ( 3795 PWs) bands (ev): -31.3193 -31.3193 -12.6013 -12.6013 -12.2390 -12.2390 -12.2085 -12.2085 0.7773 0.7773 1.8532 1.8532 1.9141 1.9141 1.9418 1.9418 1.9740 1.9740 1.9917 1.9917 2.0195 2.0195 2.0700 2.0700 2.1180 2.1180 2.1747 2.1747 2.3380 2.3380 2.3563 2.3563 2.4629 2.4629 2.5660 2.5660 2.6462 2.6462 2.7059 2.7059 2.7182 2.7182 2.7424 2.7424 2.7721 2.7721 2.8148 2.8148 2.8375 2.8375 2.8672 2.8672 2.9173 2.9173 2.9423 2.9423 3.0194 3.0194 3.1906 3.1906 4.0777 4.0777 6.8617 6.8617 7.6854 7.6854 9.1852 9.1852 10.4517 10.4517 10.8409 10.8409 11.3944 11.3944 12.1596 12.1596 12.8903 12.8903 12.9095 12.9095 13.1379 13.1379 14.3144 14.3144 k = 0.3382 0.1953-0.0000 ( 3795 PWs) bands (ev): -31.3193 -31.3193 -12.6014 -12.6014 -12.2392 -12.2392 -12.2085 -12.2085 0.8172 0.8172 1.8618 1.8618 1.9092 1.9092 1.9328 1.9328 1.9760 1.9760 1.9950 1.9950 2.0222 2.0222 2.0690 2.0690 2.1164 2.1164 2.1725 2.1725 2.3447 2.3447 2.3601 2.3601 2.4760 2.4760 2.5698 2.5698 2.6488 2.6488 2.7064 2.7064 2.7214 2.7214 2.7412 2.7412 2.7771 2.7771 2.8148 2.8148 2.8362 2.8362 2.8669 2.8669 2.9066 2.9066 2.9373 2.9373 3.0058 3.0058 3.1899 3.1899 3.9792 3.9792 6.8373 6.8373 7.6476 7.6476 9.2299 9.2299 10.5249 10.5249 10.9284 10.9284 11.5488 11.5488 12.0689 12.0689 12.8103 12.8103 12.8925 12.8925 13.1186 13.1186 14.3521 14.3521 k = 0.3529 0.2038-0.0000 ( 3801 PWs) bands (ev): -31.3193 -31.3193 -12.6015 -12.6015 -12.2393 -12.2393 -12.2086 -12.2086 0.8567 0.8567 1.8676 1.8676 1.9015 1.9015 1.9273 1.9273 1.9778 1.9778 1.9987 1.9987 2.0251 2.0251 2.0678 2.0678 2.1151 2.1151 2.1696 2.1696 2.3516 2.3516 2.3642 2.3642 2.4905 2.4905 2.5738 2.5738 2.6515 2.6515 2.7065 2.7065 2.7240 2.7240 2.7399 2.7399 2.7823 2.7823 2.8151 2.8151 2.8356 2.8356 2.8669 2.8669 2.8957 2.8957 2.9329 2.9329 2.9928 2.9928 3.1892 3.1892 3.8838 3.8838 6.8149 6.8149 7.6125 7.6125 9.2743 9.2743 10.5965 10.5965 11.0127 11.0127 11.6970 11.6970 11.9827 11.9827 12.7391 12.7391 12.8769 12.8769 13.1024 13.1024 14.3903 14.3903 k = 0.3676 0.2123-0.0000 ( 3805 PWs) bands (ev): -31.3193 -31.3193 -12.6016 -12.6016 -12.2395 -12.2395 -12.2086 -12.2086 0.8955 0.8955 1.8662 1.8662 1.8968 1.8968 1.9248 1.9248 1.9792 1.9792 2.0027 2.0027 2.0281 2.0281 2.0663 2.0663 2.1142 2.1142 2.1662 2.1662 2.3585 2.3585 2.3686 2.3686 2.5060 2.5060 2.5778 2.5778 2.6543 2.6543 2.7065 2.7065 2.7253 2.7253 2.7395 2.7395 2.7879 2.7879 2.8154 2.8154 2.8360 2.8360 2.8673 2.8673 2.8851 2.8851 2.9286 2.9286 2.9807 2.9807 3.1887 3.1887 3.7916 3.7916 6.7945 6.7945 7.5801 7.5801 9.3178 9.3178 10.6669 10.6669 11.0933 11.0933 11.8241 11.8241 11.9067 11.9067 12.6867 12.6867 12.8626 12.8626 13.0893 13.0893 14.4285 14.4285 k = 0.3824 0.2208-0.0000 ( 3801 PWs) bands (ev): -31.3193 -31.3193 -12.6017 -12.6017 -12.2396 -12.2396 -12.2087 -12.2087 0.9331 0.9331 1.8554 1.8554 1.8989 1.8989 1.9235 1.9235 1.9804 1.9804 2.0068 2.0068 2.0312 2.0312 2.0648 2.0648 2.1137 2.1137 2.1623 2.1623 2.3646 2.3646 2.3738 2.3738 2.5222 2.5222 2.5818 2.5818 2.6573 2.6573 2.7063 2.7063 2.7245 2.7245 2.7405 2.7405 2.7935 2.7935 2.8154 2.8154 2.8376 2.8376 2.8682 2.8682 2.8753 2.8753 2.9240 2.9240 2.9705 2.9705 3.1882 3.1882 3.7031 3.7031 6.7762 6.7762 7.5507 7.5507 9.3598 9.3598 10.7364 10.7364 11.1692 11.1692 11.8144 11.8144 11.9415 11.9415 12.6683 12.6683 12.8496 12.8496 13.0799 13.0799 14.4658 14.4658 k = 0.3971 0.2292-0.0000 ( 3795 PWs) bands (ev): -31.3193 -31.3193 -12.6018 -12.6018 -12.2397 -12.2397 -12.2087 -12.2087 0.9689 0.9689 1.8404 1.8404 1.9038 1.9038 1.9229 1.9229 1.9814 1.9814 2.0109 2.0109 2.0342 2.0342 2.0631 2.0631 2.1134 2.1134 2.1582 2.1582 2.3694 2.3694 2.3801 2.3801 2.5385 2.5385 2.5859 2.5859 2.6604 2.6604 2.7061 2.7061 2.7221 2.7221 2.7427 2.7427 2.7990 2.7990 2.8149 2.8149 2.8404 2.8404 2.8663 2.8663 2.8702 2.8702 2.9187 2.9187 2.9629 2.9629 3.1878 3.1878 3.6184 3.6184 6.7599 6.7599 7.5244 7.5244 9.3996 9.3996 10.8050 10.8050 11.2394 11.2394 11.7458 11.7458 11.9927 11.9927 12.6991 12.6991 12.8381 12.8381 13.0766 13.0766 14.4675 14.4675 k = 0.4118 0.2377-0.0000 ( 3799 PWs) bands (ev): -31.3193 -31.3193 -12.6019 -12.6019 -12.2399 -12.2399 -12.2087 -12.2087 1.0023 1.0023 1.8244 1.8244 1.9088 1.9088 1.9227 1.9227 1.9822 1.9822 2.0147 2.0147 2.0370 2.0370 2.0614 2.0614 2.1133 2.1133 2.1539 2.1539 2.3729 2.3729 2.3871 2.3871 2.5539 2.5539 2.5898 2.5898 2.6637 2.6637 2.7058 2.7058 2.7187 2.7187 2.7454 2.7454 2.8041 2.8041 2.8139 2.8139 2.8438 2.8438 2.8588 2.8588 2.8731 2.8731 2.9122 2.9122 2.9595 2.9595 3.1874 3.1874 3.5380 3.5380 6.7458 6.7458 7.5014 7.5014 9.4367 9.4367 10.8724 10.8724 11.3032 11.3032 11.6819 11.6819 11.9950 11.9950 12.7750 12.7750 12.8281 12.8281 13.0854 13.0854 14.4336 14.4336 k = 0.4265 0.2462-0.0000 ( 3803 PWs) bands (ev): -31.3193 -31.3193 -12.6019 -12.6019 -12.2400 -12.2400 -12.2087 -12.2087 1.0327 1.0327 1.8087 1.8087 1.9131 1.9131 1.9230 1.9230 1.9829 1.9829 2.0182 2.0182 2.0396 2.0396 2.0597 2.0597 2.1136 2.1136 2.1497 2.1497 2.3756 2.3756 2.3941 2.3941 2.5679 2.5679 2.5934 2.5934 2.6673 2.6673 2.7053 2.7053 2.7149 2.7149 2.7482 2.7482 2.8084 2.8084 2.8129 2.8129 2.8469 2.8469 2.8527 2.8527 2.8767 2.8767 2.9051 2.9051 2.9618 2.9618 3.1871 3.1871 3.4623 3.4623 6.7338 6.7338 7.4818 7.4818 9.4700 9.4700 10.9376 10.9376 11.3594 11.3594 11.6254 11.6254 11.9634 11.9634 12.8189 12.8189 12.8638 12.8638 13.1229 13.1229 14.4008 14.4008 k = 0.4412 0.2547-0.0000 ( 3799 PWs) bands (ev): -31.3192 -31.3192 -12.6020 -12.6020 -12.2401 -12.2401 -12.2088 -12.2088 1.0592 1.0592 1.7943 1.7943 1.9160 1.9160 1.9240 1.9240 1.9835 1.9835 2.0213 2.0213 2.0422 2.0422 2.0580 2.0580 2.1141 2.1141 2.1457 2.1457 2.3778 2.3778 2.4005 2.4005 2.5797 2.5797 2.5969 2.5969 2.6712 2.6712 2.7044 2.7044 2.7112 2.7112 2.7509 2.7509 2.8098 2.8098 2.8144 2.8144 2.8478 2.8478 2.8498 2.8498 2.8791 2.8791 2.8988 2.8988 2.9708 2.9708 3.1869 3.1869 3.3921 3.3921 6.7240 6.7240 7.4657 7.4657 9.4989 9.4989 10.9992 10.9992 11.4071 11.4071 11.5774 11.5774 11.9158 11.9158 12.8120 12.8120 12.9217 12.9217 13.2128 13.2128 14.3711 14.3711 k = 0.4559 0.2632-0.0000 ( 3797 PWs) bands (ev): -31.3192 -31.3192 -12.6020 -12.6020 -12.2401 -12.2401 -12.2088 -12.2088 1.0810 1.0810 1.7820 1.7820 1.9176 1.9176 1.9256 1.9256 1.9840 1.9840 2.0239 2.0239 2.0445 2.0445 2.0564 2.0564 2.1147 2.1147 2.1422 2.1422 2.3794 2.3794 2.4059 2.4059 2.5888 2.5888 2.5999 2.5999 2.6754 2.6754 2.7022 2.7022 2.7087 2.7087 2.7532 2.7532 2.8087 2.8087 2.8179 2.8179 2.8454 2.8454 2.8510 2.8510 2.8772 2.8772 2.8958 2.8958 2.9868 2.9868 3.1867 3.1867 3.3286 3.3286 6.7163 6.7163 7.4531 7.4531 9.5224 9.5224 11.0548 11.0548 11.4453 11.4453 11.5390 11.5390 11.8651 11.8651 12.8064 12.8064 12.9455 12.9455 13.3450 13.3450 14.3462 14.3462 k = 0.4706 0.2717-0.0000 ( 3797 PWs) bands (ev): -31.3192 -31.3192 -12.6020 -12.6020 -12.2402 -12.2402 -12.2088 -12.2088 1.0973 1.0973 1.7726 1.7726 1.9182 1.9182 1.9272 1.9272 1.9843 1.9843 2.0258 2.0258 2.0467 2.0467 2.0547 2.0547 2.1155 2.1155 2.1393 2.1393 2.3805 2.3805 2.4100 2.4100 2.5950 2.5950 2.6023 2.6023 2.6798 2.6798 2.6986 2.6986 2.7076 2.7076 2.7549 2.7549 2.8076 2.8076 2.8211 2.8211 2.8443 2.8443 2.8520 2.8520 2.8717 2.8717 2.8957 2.8957 3.0078 3.0078 3.1866 3.1866 3.2740 3.2740 6.7109 6.7109 7.4440 7.4440 9.5398 9.5398 11.1006 11.1006 11.4732 11.4732 11.5109 11.5109 11.8201 11.8201 12.8025 12.8025 12.9540 12.9540 13.4868 13.4868 14.3276 14.3276 k = 0.4853 0.2802-0.0000 ( 3802 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2402 -12.2402 -12.2088 -12.2088 1.1074 1.1074 1.7666 1.7666 1.9185 1.9185 1.9283 1.9283 1.9845 1.9845 2.0270 2.0270 2.0485 2.0485 2.0532 2.0532 2.1160 2.1160 2.1373 2.1373 2.3812 2.3812 2.4125 2.4125 2.5985 2.5985 2.6038 2.6038 2.6843 2.6843 2.6943 2.6943 2.7072 2.7072 2.7560 2.7560 2.8068 2.8068 2.8233 2.8233 2.8444 2.8444 2.8528 2.8528 2.8663 2.8663 2.8960 2.8960 3.0282 3.0282 3.1865 3.1865 3.2337 3.2337 6.7076 6.7076 7.4386 7.4386 9.5506 9.5506 11.1316 11.1316 11.4895 11.4895 11.4945 11.4945 11.7888 11.7888 12.8001 12.8001 12.9569 12.9569 13.6056 13.6056 14.3167 14.3167 k = 0.5000 0.2887-0.0000 ( 3806 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2403 -12.2403 -12.2088 -12.2088 1.1109 1.1109 1.7645 1.7645 1.9185 1.9185 1.9287 1.9287 1.9846 1.9846 2.0273 2.0273 2.0495 2.0495 2.0524 2.0524 2.1162 2.1162 2.1366 2.1366 2.3814 2.3814 2.4133 2.4133 2.5997 2.5997 2.6044 2.6044 2.6877 2.6877 2.6910 2.6910 2.7071 2.7071 2.7563 2.7563 2.8065 2.8065 2.8241 2.8241 2.8447 2.8447 2.8532 2.8532 2.8640 2.8640 2.8961 2.8961 3.0375 3.0375 3.1866 3.1866 3.2178 3.2178 6.7065 6.7065 7.4368 7.4368 9.5542 9.5542 11.1427 11.1427 11.4874 11.4874 11.4965 11.4965 11.7775 11.7775 12.7993 12.7993 12.9576 12.9576 13.6558 13.6558 14.3145 14.3145 k = 0.5000 0.2887-0.0000 ( 3806 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2403 -12.2403 -12.2088 -12.2088 1.1109 1.1109 1.7645 1.7645 1.9185 1.9185 1.9287 1.9287 1.9846 1.9846 2.0273 2.0273 2.0495 2.0495 2.0524 2.0524 2.1162 2.1162 2.1366 2.1366 2.3814 2.3814 2.4133 2.4133 2.5997 2.5997 2.6044 2.6044 2.6877 2.6877 2.6910 2.6910 2.7071 2.7071 2.7563 2.7563 2.8065 2.8065 2.8241 2.8241 2.8447 2.8447 2.8532 2.8532 2.8640 2.8640 2.8961 2.8961 3.0375 3.0375 3.1866 3.1866 3.2178 3.2178 6.7065 6.7065 7.4368 7.4368 9.5542 9.5542 11.1427 11.1427 11.4874 11.4874 11.4965 11.4965 11.7775 11.7775 12.7993 12.7993 12.9576 12.9576 13.6558 13.6558 14.3145 14.3145 k = 0.4917 0.3031-0.0000 ( 3799 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2402 -12.2402 -12.2088 -12.2088 1.1119 1.1119 1.7637 1.7637 1.9187 1.9187 1.9287 1.9287 1.9846 1.9846 2.0272 2.0272 2.0495 2.0495 2.0524 2.0524 2.1164 2.1164 2.1363 2.1363 2.3814 2.3814 2.4139 2.4139 2.5975 2.5975 2.6068 2.6068 2.6876 2.6876 2.6910 2.6910 2.7070 2.7070 2.7563 2.7563 2.8064 2.8064 2.8230 2.8230 2.8453 2.8453 2.8528 2.8528 2.8642 2.8642 2.8964 2.8964 3.0378 3.0378 3.1864 3.1864 3.2193 3.2193 6.6770 6.6770 7.4694 7.4694 9.5561 9.5561 11.1431 11.1431 11.4802 11.4802 11.4892 11.4892 11.7807 11.7807 12.8076 12.8076 12.9498 12.9498 13.6610 13.6610 14.2553 14.2553 k = 0.4833 0.3175-0.0000 ( 3801 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2402 -12.2402 -12.2088 -12.2088 1.1149 1.1149 1.7615 1.7615 1.9193 1.9193 1.9289 1.9289 1.9848 1.9848 2.0264 2.0264 2.0497 2.0497 2.0524 2.0524 2.1168 2.1168 2.1353 2.1353 2.3813 2.3813 2.4152 2.4152 2.5943 2.5943 2.6107 2.6107 2.6872 2.6872 2.6909 2.6909 2.7068 2.7068 2.7562 2.7562 2.8060 2.8060 2.8201 2.8201 2.8464 2.8464 2.8518 2.8518 2.8649 2.8649 2.8971 2.8971 3.0389 3.0389 3.1860 3.1860 3.2235 3.2235 6.6006 6.6006 7.5551 7.5551 9.5618 9.5618 11.1442 11.1442 11.4592 11.4592 11.4681 11.4681 11.7898 11.7898 12.8320 12.8320 12.9270 12.9270 13.6764 13.6764 14.1897 14.1897 k = 0.4750 0.3320-0.0000 ( 3799 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2402 -12.2402 -12.2088 -12.2088 1.1198 1.1198 1.7578 1.7578 1.9201 1.9201 1.9293 1.9293 1.9850 1.9850 2.0253 2.0253 2.0495 2.0495 2.0527 2.0527 2.1175 2.1175 2.1338 2.1338 2.3812 2.3812 2.4175 2.4175 2.5912 2.5912 2.6149 2.6149 2.6865 2.6865 2.6905 2.6905 2.7066 2.7066 2.7560 2.7560 2.8051 2.8051 2.8164 2.8164 2.8469 2.8469 2.8509 2.8509 2.8657 2.8657 2.8982 2.8982 3.0406 3.0406 3.1854 3.1854 3.2303 3.2303 6.4982 6.4982 7.6732 7.6732 9.5712 9.5712 11.1459 11.1459 11.4259 11.4259 11.4354 11.4354 11.8028 11.8028 12.8711 12.8711 12.8905 12.8905 13.7014 13.7014 14.1343 14.1343 k = 0.4667 0.3464-0.0000 ( 3801 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2403 -12.2403 -12.2088 -12.2088 1.1267 1.1267 1.7525 1.7525 1.9212 1.9212 1.9299 1.9299 1.9854 1.9854 2.0238 2.0238 2.0488 2.0488 2.0535 2.0535 2.1182 2.1182 2.1319 2.1319 2.3809 2.3809 2.4208 2.4208 2.5883 2.5883 2.6191 2.6191 2.6856 2.6856 2.6899 2.6899 2.7065 2.7065 2.7557 2.7557 2.8033 2.8033 2.8129 2.8129 2.8457 2.8457 2.8512 2.8512 2.8665 2.8665 2.8996 2.8996 3.0432 3.0432 3.1849 3.1849 3.2393 3.2393 6.3838 6.3838 7.8096 7.8096 9.5844 9.5844 11.1478 11.1478 11.3823 11.3823 11.3933 11.3933 11.8182 11.8182 12.8426 12.8426 12.9230 12.9230 13.7349 13.7349 14.0890 14.0890 k = 0.4583 0.3608-0.0000 ( 3811 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2403 -12.2403 -12.2088 -12.2088 1.1355 1.1355 1.7457 1.7457 1.9224 1.9224 1.9307 1.9307 1.9858 1.9858 2.0220 2.0220 2.0477 2.0477 2.0545 2.0545 2.1187 2.1187 2.1301 2.1301 2.3807 2.3807 2.4248 2.4248 2.5858 2.5858 2.6233 2.6233 2.6843 2.6843 2.6888 2.6888 2.7068 2.7068 2.7552 2.7552 2.7999 2.7999 2.8104 2.8104 2.8436 2.8436 2.8517 2.8517 2.8673 2.8673 2.9010 2.9010 3.0466 3.0466 3.1844 3.1844 3.2500 3.2500 6.2649 6.2649 7.9569 7.9569 9.6014 9.6014 11.1495 11.1495 11.3305 11.3305 11.3435 11.3435 11.8350 11.8350 12.7861 12.7861 12.9856 12.9856 13.7758 13.7758 14.0528 14.0528 k = 0.4500 0.3753-0.0000 ( 3827 PWs) bands (ev): -31.3193 -31.3193 -12.6022 -12.6022 -12.2404 -12.2404 -12.2089 -12.2089 1.1462 1.1462 1.7374 1.7374 1.9236 1.9236 1.9320 1.9320 1.9864 1.9864 2.0199 2.0199 2.0462 2.0462 2.0556 2.0556 2.1181 2.1181 2.1290 2.1290 2.3804 2.3804 2.4296 2.4296 2.5836 2.5836 2.6272 2.6272 2.6827 2.6827 2.6873 2.6873 2.7074 2.7074 2.7545 2.7545 2.7954 2.7954 2.8088 2.8088 2.8411 2.8411 2.8519 2.8519 2.8680 2.8680 2.9026 2.9026 3.0509 3.0509 3.1840 3.1840 3.2621 3.2621 6.1455 6.1455 8.1112 8.1112 9.6220 9.6220 11.1506 11.1506 11.2725 11.2725 11.2875 11.2875 11.8527 11.8527 12.7237 12.7237 13.0571 13.0571 13.8226 13.8226 14.0240 14.0240 k = 0.4417 0.3897-0.0000 ( 3823 PWs) bands (ev): -31.3193 -31.3193 -12.6022 -12.6022 -12.2404 -12.2404 -12.2089 -12.2089 1.1588 1.1588 1.7276 1.7276 1.9247 1.9247 1.9339 1.9339 1.9872 1.9872 2.0179 2.0179 2.0446 2.0446 2.0569 2.0569 2.1162 2.1162 2.1293 2.1293 2.3802 2.3802 2.4351 2.4351 2.5817 2.5817 2.6310 2.6310 2.6806 2.6806 2.6857 2.6857 2.7086 2.7086 2.7535 2.7535 2.7907 2.7907 2.8074 2.8074 2.8387 2.8387 2.8519 2.8519 2.8688 2.8688 2.9042 2.9042 3.0563 3.0563 3.1836 3.1836 3.2753 3.2753 6.0280 6.0280 8.2702 8.2702 9.6464 9.6464 11.1500 11.1500 11.2098 11.2098 11.2265 11.2265 11.8712 11.8712 12.6584 12.6584 13.1359 13.1359 13.8736 13.8736 14.0010 14.0010 k = 0.4333 0.4041-0.0000 ( 3815 PWs) bands (ev): -31.3192 -31.3192 -12.6022 -12.6022 -12.2404 -12.2404 -12.2089 -12.2089 1.1732 1.1732 1.7163 1.7163 1.9256 1.9256 1.9364 1.9364 1.9881 1.9881 2.0157 2.0157 2.0428 2.0428 2.0582 2.0582 2.1130 2.1130 2.1307 2.1307 2.3801 2.3801 2.4413 2.4413 2.5801 2.5801 2.6343 2.6343 2.6778 2.6778 2.6843 2.6843 2.7103 2.7103 2.7522 2.7522 2.7862 2.7862 2.8060 2.8060 2.8365 2.8365 2.8514 2.8514 2.8694 2.8694 2.9056 2.9056 3.0629 3.0629 3.1834 3.1834 3.2889 3.2889 5.9141 5.9141 8.4326 8.4326 9.6744 9.6744 11.1387 11.1387 11.1509 11.1509 11.1627 11.1627 11.8903 11.8903 12.5929 12.5929 13.2206 13.2206 13.9264 13.9264 13.9825 13.9825 k = 0.4250 0.4186-0.0000 ( 3823 PWs) bands (ev): -31.3193 -31.3193 -12.6023 -12.6023 -12.2405 -12.2405 -12.2089 -12.2089 1.1894 1.1894 1.7034 1.7034 1.9263 1.9263 1.9395 1.9395 1.9891 1.9891 2.0135 2.0135 2.0408 2.0408 2.0593 2.0593 2.1091 2.1091 2.1327 2.1327 2.3802 2.3802 2.4480 2.4480 2.5785 2.5785 2.6373 2.6373 2.6743 2.6743 2.6830 2.6830 2.7124 2.7124 2.7503 2.7503 2.7822 2.7822 2.8043 2.8043 2.8344 2.8344 2.8506 2.8506 2.8699 2.8699 2.9068 2.9068 3.0705 3.0705 3.1832 3.1832 3.3024 3.3024 5.8048 5.8048 8.5971 8.5971 9.7061 9.7061 11.0730 11.0730 11.0924 11.0924 11.1439 11.1439 11.9102 11.9102 12.5295 12.5295 13.3102 13.3102 13.9563 13.9563 13.9893 13.9893 k = 0.4167 0.4330-0.0000 ( 3827 PWs) bands (ev): -31.3193 -31.3193 -12.6023 -12.6023 -12.2405 -12.2405 -12.2090 -12.2090 1.2073 1.2073 1.6889 1.6889 1.9268 1.9268 1.9430 1.9430 1.9901 1.9901 2.0113 2.0113 2.0386 2.0386 2.0603 2.0603 2.1050 2.1050 2.1349 2.1349 2.3805 2.3805 2.4550 2.4550 2.5770 2.5770 2.6398 2.6398 2.6702 2.6702 2.6822 2.6822 2.7149 2.7149 2.7478 2.7478 2.7790 2.7790 2.8022 2.8022 2.8327 2.8327 2.8497 2.8497 2.8704 2.8704 2.9077 2.9077 3.0794 3.0794 3.1831 3.1831 3.3152 3.3152 5.7014 5.7014 8.7631 8.7631 9.7414 9.7414 11.0022 11.0022 11.0217 11.0217 11.1337 11.1337 11.9310 11.9310 12.4706 12.4706 13.4039 13.4039 13.9393 13.9393 14.0407 14.0407 k = 0.4083 0.4474-0.0000 ( 3819 PWs) bands (ev): -31.3192 -31.3192 -12.6023 -12.6023 -12.2405 -12.2405 -12.2090 -12.2090 1.2268 1.2268 1.6731 1.6731 1.9273 1.9273 1.9469 1.9469 1.9912 1.9912 2.0093 2.0093 2.0364 2.0364 2.0613 2.0613 2.1008 2.1008 2.1373 2.1373 2.3812 2.3812 2.4623 2.4623 2.5755 2.5755 2.6419 2.6419 2.6658 2.6658 2.6817 2.6817 2.7177 2.7177 2.7448 2.7448 2.7767 2.7767 2.7996 2.7996 2.8313 2.8313 2.8486 2.8486 2.8708 2.8708 2.9085 2.9085 3.0896 3.0896 3.1832 3.1832 3.3269 3.3269 5.6046 5.6046 8.9298 8.9298 9.7802 9.7802 10.9299 10.9299 10.9489 10.9489 11.1186 11.1186 11.9527 11.9527 12.4179 12.4179 13.5009 13.5009 13.9135 13.9135 14.0928 14.0928 k = 0.4000 0.4619-0.0000 ( 3819 PWs) bands (ev): -31.3192 -31.3192 -12.6023 -12.6023 -12.2406 -12.2406 -12.2090 -12.2090 1.2478 1.2478 1.6557 1.6557 1.9278 1.9278 1.9510 1.9510 1.9922 1.9922 2.0074 2.0074 2.0341 2.0341 2.0620 2.0620 2.0966 2.0966 2.1396 2.1396 2.3823 2.3823 2.4696 2.4696 2.5738 2.5738 2.6435 2.6435 2.6612 2.6612 2.6815 2.6815 2.7207 2.7207 2.7412 2.7412 2.7750 2.7750 2.7967 2.7967 2.8302 2.8302 2.8474 2.8474 2.8711 2.8711 2.9089 2.9089 3.1010 3.1010 3.1834 3.1834 3.3366 3.3366 5.5153 5.5153 9.0964 9.0964 9.8225 9.8225 10.8567 10.8567 10.8746 10.8746 11.0975 11.0975 11.9753 11.9753 12.3726 12.3726 13.6007 13.6007 13.8768 13.8768 14.1413 14.1413 k = 0.3917 0.4763-0.0000 ( 3823 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2090 -12.2090 1.2703 1.2703 1.6367 1.6367 1.9282 1.9282 1.9554 1.9554 1.9929 1.9929 2.0059 2.0059 2.0318 2.0318 2.0623 2.0623 2.0927 2.0927 2.1418 2.1418 2.3837 2.3837 2.4770 2.4770 2.5720 2.5720 2.6445 2.6445 2.6567 2.6567 2.6817 2.6817 2.7238 2.7238 2.7374 2.7374 2.7738 2.7738 2.7935 2.7935 2.8294 2.8294 2.8462 2.8462 2.8713 2.8713 2.9091 2.9091 3.1136 3.1136 3.1839 3.1839 3.3436 3.3436 5.4345 5.4345 9.2623 9.2623 9.8683 9.8683 10.7829 10.7829 10.7994 10.7994 11.0698 11.0698 11.9989 11.9989 12.3354 12.3354 13.7027 13.7027 13.8263 13.8263 14.1844 14.1844 k = 0.3833 0.4907-0.0000 ( 3813 PWs) bands (ev): -31.3192 -31.3192 -12.6023 -12.6023 -12.2406 -12.2406 -12.2090 -12.2090 1.2941 1.2941 1.6164 1.6164 1.9286 1.9286 1.9600 1.9600 1.9931 1.9931 2.0051 2.0051 2.0295 2.0295 2.0624 2.0624 2.0893 2.0893 2.1439 2.1439 2.3855 2.3855 2.4841 2.4841 2.5699 2.5699 2.6445 2.6445 2.6531 2.6531 2.6822 2.6822 2.7268 2.7268 2.7338 2.7338 2.7728 2.7728 2.7904 2.7904 2.8288 2.8288 2.8451 2.8451 2.8715 2.8715 2.9090 2.9090 3.1271 3.1271 3.1850 3.1850 3.3473 3.3473 5.3630 5.3630 9.4264 9.4264 9.9176 9.9176 10.7086 10.7086 10.7238 10.7238 11.0357 11.0357 12.0236 12.0236 12.3062 12.3062 13.7628 13.7628 13.8076 13.8076 14.2094 14.2094 k = 0.3750 0.5052-0.0000 ( 3809 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2090 -12.2090 1.3192 1.3192 1.5945 1.5945 1.9290 1.9290 1.9646 1.9646 1.9925 1.9925 2.0052 2.0052 2.0272 2.0272 2.0619 2.0619 2.0864 2.0864 2.1457 2.1457 2.3876 2.3876 2.4909 2.4909 2.5676 2.5676 2.6426 2.6426 2.6515 2.6515 2.6830 2.6830 2.7278 2.7278 2.7325 2.7325 2.7716 2.7716 2.7876 2.7876 2.8283 2.8283 2.8440 2.8440 2.8718 2.8718 2.9088 2.9088 3.1410 3.1410 3.1873 3.1873 3.3471 3.3471 5.3016 5.3016 9.5877 9.5877 9.9702 9.9702 10.6337 10.6337 10.6483 10.6483 10.9956 10.9956 12.0492 12.0492 12.2838 12.2838 13.6948 13.6948 13.9125 13.9125 14.1918 14.1918 k = 0.3667 0.5196-0.0000 ( 3811 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2090 -12.2090 1.3452 1.3452 1.5713 1.5713 1.9294 1.9294 1.9691 1.9691 1.9912 1.9912 2.0059 2.0059 2.0250 2.0250 2.0611 2.0611 2.0842 2.0842 2.1472 2.1472 2.3899 2.3899 2.4969 2.4969 2.5652 2.5652 2.6393 2.6393 2.6515 2.6515 2.6840 2.6840 2.7250 2.7250 2.7351 2.7351 2.7698 2.7698 2.7854 2.7854 2.8279 2.8279 2.8431 2.8431 2.8720 2.8720 2.9084 2.9084 3.1539 3.1539 3.1919 3.1919 3.3426 3.3426 5.2509 5.2509 9.7447 9.7447 10.0261 10.0261 10.5583 10.5583 10.5735 10.5735 10.9511 10.9511 12.0757 12.0757 12.2662 12.2662 13.6281 13.6281 14.0185 14.0185 14.1873 14.1873 k = 0.3583 0.5340-0.0000 ( 3803 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2090 -12.2090 1.3722 1.3722 1.5468 1.5468 1.9297 1.9297 1.9734 1.9734 1.9895 1.9895 2.0072 2.0072 2.0230 2.0230 2.0599 2.0599 2.0827 2.0827 2.1484 2.1484 2.3921 2.3921 2.5021 2.5021 2.5629 2.5629 2.6361 2.6361 2.6520 2.6520 2.6851 2.6851 2.7219 2.7219 2.7385 2.7385 2.7673 2.7673 2.7841 2.7841 2.8276 2.8276 2.8424 2.8424 2.8721 2.8721 2.9079 2.9079 3.1634 3.1634 3.2012 3.2012 3.3337 3.3337 5.2113 5.2113 9.8952 9.8952 10.0852 10.0852 10.4824 10.4824 10.4995 10.4995 10.9046 10.9046 12.1030 12.1030 12.2509 12.2509 13.5694 13.5694 14.1239 14.1239 14.1926 14.1926 k = 0.3500 0.5485-0.0000 ( 3799 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2090 -12.2090 1.3996 1.3996 1.5213 1.5213 1.9300 1.9300 1.9773 1.9773 1.9876 1.9876 2.0085 2.0085 2.0212 2.0212 2.0588 2.0588 2.0818 2.0818 2.1493 2.1493 2.3941 2.3941 2.5061 2.5061 2.5607 2.5607 2.6335 2.6335 2.6526 2.6526 2.6862 2.6862 2.7193 2.7193 2.7417 2.7417 2.7645 2.7645 2.7835 2.7835 2.8273 2.8273 2.8418 2.8418 2.8723 2.8723 2.9075 2.9075 3.1686 3.1686 3.2156 3.2156 3.3208 3.3208 5.1832 5.1832 10.0355 10.0355 10.1476 10.1476 10.4062 10.4062 10.4267 10.4267 10.8601 10.8601 12.1311 12.1311 12.2347 12.2347 13.5238 13.5238 14.1991 14.1991 14.2324 14.2324 k = 0.3417 0.5629-0.0000 ( 3799 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2090 -12.2090 1.4262 1.4262 1.4959 1.4959 1.9302 1.9302 1.9806 1.9806 1.9856 1.9856 2.0097 2.0097 2.0198 2.0198 2.0579 2.0579 2.0812 2.0812 2.1497 2.1497 2.3955 2.3955 2.5087 2.5087 2.5592 2.5592 2.6319 2.6319 2.6530 2.6530 2.6870 2.6870 2.7175 2.7175 2.7443 2.7443 2.7620 2.7620 2.7833 2.7833 2.8271 2.8271 2.8415 2.8415 2.8724 2.8724 2.9072 2.9072 3.1710 3.1710 3.2317 3.2317 3.3059 3.3059 5.1666 5.1666 10.1588 10.1588 10.2131 10.2131 10.3302 10.3302 10.3548 10.3548 10.8244 10.8244 12.1596 12.1596 12.2149 12.2149 13.4950 13.4950 14.2186 14.2186 14.2618 14.2618 k = 0.3333 0.5774-0.0000 ( 3807 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2407 -12.2407 -12.2091 -12.2091 1.4426 1.4426 1.4799 1.4799 1.9302 1.9302 1.9824 1.9824 1.9841 1.9841 2.0102 2.0102 2.0192 2.0192 2.0575 2.0575 2.0810 2.0810 2.1499 2.1499 2.3960 2.3960 2.5096 2.5096 2.5586 2.5586 2.6314 2.6314 2.6532 2.6532 2.6873 2.6873 2.7168 2.7168 2.7454 2.7454 2.7608 2.7608 2.7833 2.7833 2.8270 2.8270 2.8414 2.8414 2.8724 2.8724 2.9071 2.9071 3.1717 3.1717 3.2408 3.2408 3.2972 3.2972 5.1611 5.1611 10.2502 10.2502 10.2536 10.2536 10.2849 10.2849 10.2853 10.2853 10.8091 10.8091 12.1849 12.1849 12.1927 12.1927 13.4851 13.4851 14.2393 14.2393 14.2436 14.2436 k = 0.3333 0.5774-0.0000 ( 3807 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2407 -12.2407 -12.2091 -12.2091 1.4426 1.4426 1.4799 1.4799 1.9302 1.9302 1.9824 1.9824 1.9841 1.9841 2.0102 2.0102 2.0192 2.0192 2.0575 2.0575 2.0810 2.0810 2.1499 2.1499 2.3960 2.3960 2.5096 2.5096 2.5586 2.5586 2.6314 2.6314 2.6532 2.6532 2.6873 2.6873 2.7168 2.7168 2.7454 2.7454 2.7608 2.7608 2.7833 2.7833 2.8270 2.8270 2.8414 2.8414 2.8724 2.8724 2.9071 2.9071 3.1717 3.1717 3.2408 3.2408 3.2972 3.2972 5.1611 5.1611 10.2502 10.2502 10.2536 10.2536 10.2849 10.2849 10.2853 10.2853 10.8091 10.8091 12.1849 12.1849 12.1927 12.1927 13.4851 13.4851 14.2393 14.2393 14.2436 14.2436 k = 0.3248 0.5625-0.0000 ( 3799 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2090 -12.2090 1.4247 1.4247 1.4974 1.4974 1.9301 1.9301 1.9809 1.9809 1.9852 1.9852 2.0097 2.0097 2.0198 2.0198 2.0579 2.0579 2.0813 2.0813 2.1497 2.1497 2.3954 2.3954 2.5087 2.5087 2.5593 2.5593 2.6319 2.6319 2.6530 2.6530 2.6870 2.6870 2.7175 2.7175 2.7442 2.7442 2.7621 2.7621 2.7833 2.7833 2.8271 2.8271 2.8415 2.8415 2.8724 2.8724 2.9072 2.9072 3.1707 3.1707 3.2296 3.2296 3.3086 3.3086 5.1667 5.1667 10.1758 10.1758 10.2112 10.2112 10.3069 10.3069 10.3576 10.3576 10.8298 10.8298 12.1554 12.1554 12.2188 12.2188 13.4954 13.4954 14.2106 14.2106 14.2702 14.2702 k = 0.3162 0.5477-0.0000 ( 3793 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2090 -12.2090 1.3943 1.3943 1.5261 1.5261 1.9299 1.9299 1.9788 1.9788 1.9859 1.9859 2.0083 2.0083 2.0214 2.0214 2.0590 2.0590 2.0819 2.0819 2.1493 2.1493 2.3933 2.3933 2.5059 2.5059 2.5614 2.5614 2.6332 2.6332 2.6525 2.6525 2.6860 2.6860 2.7195 2.7195 2.7415 2.7415 2.7651 2.7651 2.7832 2.7832 2.8275 2.8275 2.8418 2.8418 2.8724 2.8724 2.9078 2.9078 3.1660 3.1660 3.2073 3.2073 3.3338 3.3338 5.1827 5.1827 10.0989 10.0989 10.1405 10.1405 10.3111 10.3111 10.4336 10.4336 10.8909 10.8909 12.1164 12.1164 12.2481 12.2481 13.5249 13.5249 14.1704 14.1704 14.2891 14.2891 k = 0.3077 0.5329-0.0000 ( 3797 PWs) bands (ev): -31.3192 -31.3192 -12.6023 -12.6023 -12.2406 -12.2406 -12.2090 -12.2090 1.3610 1.3610 1.5566 1.5566 1.9293 1.9293 1.9767 1.9767 1.9856 1.9856 2.0064 2.0064 2.0233 2.0233 2.0605 2.0605 2.0832 2.0832 2.1486 2.1486 2.3896 2.3896 2.5018 2.5018 2.5648 2.5648 2.6350 2.6350 2.6516 2.6516 2.6847 2.6847 2.7224 2.7224 2.7383 2.7383 2.7689 2.7689 2.7830 2.7830 2.8281 2.8281 2.8424 2.8424 2.8724 2.8724 2.9087 2.9087 3.1500 3.1500 3.1909 3.1909 3.3648 3.3648 5.2086 5.2086 10.0227 10.0227 10.0706 10.0706 10.2799 10.2799 10.5129 10.5129 10.9769 10.9769 12.0744 12.0744 12.2767 12.2767 13.5706 13.5706 14.1212 14.1212 14.2166 14.2166 k = 0.2991 0.5181-0.0000 ( 3801 PWs) bands (ev): -31.3192 -31.3192 -12.6023 -12.6023 -12.2406 -12.2406 -12.2090 -12.2090 1.3259 1.3259 1.5875 1.5875 1.9283 1.9283 1.9746 1.9746 1.9845 1.9845 2.0043 2.0043 2.0256 2.0256 2.0618 2.0618 2.0855 2.0855 2.1477 2.1477 2.3844 2.3844 2.4964 2.4964 2.5691 2.5691 2.6367 2.6367 2.6503 2.6503 2.6833 2.6833 2.7256 2.7256 2.7354 2.7354 2.7730 2.7730 2.7829 2.7829 2.8289 2.8289 2.8431 2.8431 2.8726 2.8726 2.9101 2.9101 3.1208 3.1208 3.1852 3.1852 3.3997 3.3997 5.2432 5.2432 9.9472 9.9472 10.0017 10.0017 10.2293 10.2293 10.5954 10.5954 11.0694 11.0694 12.0337 12.0337 12.3038 12.3038 13.6283 13.6283 14.0636 14.0636 14.1406 14.1406 k = 0.2906 0.5033-0.0000 ( 3813 PWs) bands (ev): -31.3192 -31.3192 -12.6023 -12.6023 -12.2406 -12.2406 -12.2090 -12.2090 1.2894 1.2894 1.6184 1.6184 1.9270 1.9270 1.9725 1.9725 1.9828 1.9828 2.0021 2.0021 2.0279 2.0279 2.0627 2.0627 2.0888 2.0888 2.1466 2.1466 2.3778 2.3778 2.4903 2.4903 2.5735 2.5735 2.6378 2.6378 2.6486 2.6486 2.6823 2.6823 2.7275 2.7275 2.7344 2.7344 2.7769 2.7769 2.7828 2.7828 2.8300 2.8300 2.8440 2.8440 2.8733 2.8733 2.9120 2.9120 3.0871 3.0871 3.1835 3.1835 3.4380 3.4380 5.2859 5.2859 9.8726 9.8726 9.9338 9.9338 10.1690 10.1690 10.6808 10.6808 11.1547 11.1547 12.0009 12.0009 12.3285 12.3285 13.6932 13.6932 13.9983 13.9983 14.0664 14.0664 k = 0.2821 0.4885-0.0000 ( 3809 PWs) bands (ev): -31.3192 -31.3192 -12.6023 -12.6023 -12.2405 -12.2405 -12.2090 -12.2090 1.2515 1.2515 1.6490 1.6490 1.9251 1.9251 1.9705 1.9705 1.9806 1.9806 1.9999 1.9999 2.0302 2.0302 2.0631 2.0631 2.0933 2.0933 2.1456 2.1456 2.3701 2.3701 2.4838 2.4838 2.5777 2.5777 2.6373 2.6373 2.6471 2.6471 2.6821 2.6821 2.7265 2.7265 2.7367 2.7367 2.7805 2.7805 2.7834 2.7834 2.8311 2.8311 2.8451 2.8451 2.8746 2.8746 2.9145 2.9145 3.0531 3.0531 3.1830 3.1830 3.4796 3.4796 5.3356 5.3356 9.7989 9.7989 9.8670 9.8670 10.1039 10.1039 10.7691 10.7691 11.2219 11.2219 11.9837 11.9837 12.3495 12.3495 13.7601 13.7601 13.9263 13.9263 13.9950 13.9950 k = 0.2735 0.4737-0.0000 ( 3805 PWs) bands (ev): -31.3192 -31.3192 -12.6022 -12.6022 -12.2404 -12.2404 -12.2089 -12.2089 1.2125 1.2125 1.6791 1.6791 1.9227 1.9227 1.9686 1.9686 1.9780 1.9780 1.9978 1.9978 2.0324 2.0324 2.0630 2.0630 2.0986 2.0986 2.1446 2.1446 2.3615 2.3615 2.4769 2.4769 2.5810 2.5810 2.6336 2.6336 2.6470 2.6470 2.6827 2.6827 2.7248 2.7248 2.7401 2.7401 2.7830 2.7830 2.7853 2.7853 2.8322 2.8322 2.8463 2.8463 2.8766 2.8766 2.9175 2.9175 3.0209 3.0209 3.1830 3.1830 3.5246 3.5246 5.3918 5.3918 9.7262 9.7262 9.8013 9.8013 10.0366 10.0366 10.8601 10.8601 11.2624 11.2624 11.9901 11.9901 12.3654 12.3654 13.8241 13.8241 13.8494 13.8494 13.9268 13.9268 k = 0.2650 0.4589-0.0000 ( 3809 PWs) bands (ev): -31.3192 -31.3192 -12.6022 -12.6022 -12.2404 -12.2404 -12.2089 -12.2089 1.1725 1.1725 1.7085 1.7085 1.9197 1.9197 1.9667 1.9667 1.9752 1.9752 1.9959 1.9959 2.0344 2.0344 2.0624 2.0624 2.1044 2.1044 2.1438 2.1438 2.3523 2.3523 2.4700 2.4700 2.5830 2.5830 2.6262 2.6262 2.6481 2.6481 2.6838 2.6838 2.7235 2.7235 2.7430 2.7430 2.7852 2.7852 2.7878 2.7878 2.8333 2.8333 2.8476 2.8476 2.8790 2.8790 2.9212 2.9212 2.9919 2.9919 3.1832 3.1832 3.5731 3.5731 5.4535 5.4535 9.6544 9.6544 9.7367 9.7367 9.9687 9.9687 10.9538 10.9538 11.2723 11.2723 12.0240 12.0240 12.3738 12.3738 13.7669 13.7669 13.8619 13.8619 13.8850 13.8850 k = 0.2564 0.4441-0.0000 ( 3801 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2402 -12.2402 -12.2089 -12.2089 1.1316 1.1316 1.7372 1.7372 1.9159 1.9159 1.9650 1.9650 1.9722 1.9722 1.9941 1.9941 2.0361 2.0361 2.0617 2.0617 2.1101 2.1101 2.1434 2.1434 2.3429 2.3429 2.4630 2.4630 2.5835 2.5835 2.6159 2.6159 2.6499 2.6499 2.6851 2.6851 2.7231 2.7231 2.7449 2.7449 2.7879 2.7879 2.7903 2.7903 2.8343 2.8343 2.8491 2.8491 2.8811 2.8811 2.9257 2.9257 2.9680 2.9680 3.1837 3.1837 3.6251 3.6251 5.5203 5.5203 9.5837 9.5837 9.6734 9.6734 9.9012 9.9012 11.0499 11.0499 11.2548 11.2548 12.0824 12.0824 12.3720 12.3720 13.6848 13.6848 13.8011 13.8011 13.9378 13.9378 k = 0.2479 0.4293-0.0000 ( 3797 PWs) bands (ev): -31.3192 -31.3192 -12.6020 -12.6020 -12.2401 -12.2401 -12.2088 -12.2088 1.0899 1.0899 1.7648 1.7648 1.9112 1.9112 1.9634 1.9634 1.9691 1.9691 1.9924 1.9924 2.0372 2.0372 2.0613 2.0613 2.1155 2.1155 2.1435 2.1435 2.3333 2.3333 2.4562 2.4562 2.5824 2.5824 2.6032 2.6032 2.6516 2.6516 2.6863 2.6863 2.7235 2.7235 2.7457 2.7457 2.7898 2.7898 2.7938 2.7938 2.8354 2.8354 2.8510 2.8510 2.8813 2.8813 2.9310 2.9310 2.9511 2.9511 3.1841 3.1841 3.6808 3.6808 5.5915 5.5915 9.5139 9.5139 9.6112 9.6112 9.8347 9.8347 11.1485 11.1485 11.2175 11.2175 12.1581 12.1581 12.3565 12.3565 13.6062 13.6062 13.7440 13.7440 13.9840 13.9840 k = 0.2393 0.4145-0.0000 ( 3797 PWs) bands (ev): -31.3192 -31.3192 -12.6020 -12.6020 -12.2400 -12.2400 -12.2088 -12.2088 1.0475 1.0475 1.7914 1.7914 1.9058 1.9058 1.9620 1.9620 1.9659 1.9659 1.9909 1.9909 2.0375 2.0375 2.0611 2.0611 2.1200 2.1200 2.1447 2.1447 2.3240 2.3240 2.4495 2.4495 2.5785 2.5785 2.5900 2.5900 2.6529 2.6529 2.6872 2.6872 2.7249 2.7249 2.7453 2.7453 2.7903 2.7903 2.7980 2.7980 2.8367 2.8367 2.8536 2.8536 2.8786 2.8786 2.9347 2.9347 2.9450 2.9450 3.1847 3.1847 3.7404 3.7404 5.6666 5.6666 9.4451 9.4451 9.5502 9.5502 9.7696 9.7696 11.1675 11.1675 11.2493 11.2493 12.2437 12.2437 12.3239 12.3239 13.5360 13.5360 13.6905 13.6905 14.0242 14.0242 k = 0.2308 0.3997-0.0000 ( 3795 PWs) bands (ev): -31.3192 -31.3192 -12.6019 -12.6019 -12.2399 -12.2399 -12.2088 -12.2088 1.0047 1.0047 1.8167 1.8167 1.8996 1.8996 1.9607 1.9607 1.9626 1.9626 1.9896 1.9896 2.0369 2.0369 2.0615 2.0615 2.1232 2.1232 2.1471 2.1471 2.3152 2.3152 2.4431 2.4431 2.5663 2.5663 2.5824 2.5824 2.6535 2.6535 2.6878 2.6878 2.7269 2.7269 2.7442 2.7442 2.7896 2.7896 2.8019 2.8019 2.8380 2.8380 2.8577 2.8577 2.8740 2.8740 2.9340 2.9340 2.9514 2.9514 3.1853 3.1853 3.8038 3.8038 5.7451 5.7451 9.3774 9.3774 9.4906 9.4906 9.7064 9.7064 11.1101 11.1101 11.3522 11.3522 12.2678 12.2678 12.3376 12.3376 13.4787 13.4787 13.6408 13.6408 14.0591 14.0591 k = 0.2222 0.3849-0.0000 ( 3795 PWs) bands (ev): -31.3193 -31.3193 -12.6018 -12.6018 -12.2397 -12.2397 -12.2087 -12.2087 0.9615 0.9615 1.8405 1.8405 1.8925 1.8925 1.9592 1.9592 1.9600 1.9600 1.9884 1.9884 2.0353 2.0353 2.0624 2.0624 2.1251 2.1251 2.1506 2.1506 2.3071 2.3071 2.4369 2.4369 2.5484 2.5484 2.5786 2.5786 2.6535 2.6535 2.6883 2.6883 2.7293 2.7293 2.7424 2.7424 2.7878 2.7878 2.8049 2.8049 2.8388 2.8388 2.8634 2.8634 2.8703 2.8703 2.9346 2.9346 2.9618 2.9618 3.1860 3.1860 3.8712 3.8712 5.8266 5.8266 9.3106 9.3106 9.4323 9.4323 9.6453 9.6453 11.0485 11.0485 11.4571 11.4571 12.1921 12.1921 12.4305 12.4305 13.4375 13.4375 13.5947 13.5947 14.0879 14.0879 k = 0.2137 0.3701-0.0000 ( 3801 PWs) bands (ev): -31.3193 -31.3193 -12.6017 -12.6017 -12.2396 -12.2396 -12.2087 -12.2087 0.9183 0.9183 1.8624 1.8624 1.8848 1.8848 1.9561 1.9561 1.9592 1.9592 1.9872 1.9872 2.0330 2.0330 2.0637 2.0637 2.1262 2.1262 2.1546 2.1546 2.3000 2.3000 2.4309 2.4309 2.5290 2.5290 2.5751 2.5751 2.6527 2.6527 2.6885 2.6885 2.7318 2.7318 2.7401 2.7401 2.7850 2.7850 2.8069 2.8069 2.8391 2.8391 2.8651 2.8651 2.8740 2.8740 2.9369 2.9369 2.9738 2.9738 3.1867 3.1867 3.9425 3.9425 5.9107 5.9107 9.2447 9.2447 9.3755 9.3755 9.5867 9.5867 10.9848 10.9848 11.5637 11.5637 12.0941 12.0941 12.5239 12.5239 13.4132 13.4132 13.5522 13.5522 14.0862 14.0862 k = 0.2051 0.3553-0.0000 ( 3795 PWs) bands (ev): -31.3193 -31.3193 -12.6016 -12.6016 -12.2394 -12.2394 -12.2086 -12.2086 0.8751 0.8751 1.8742 1.8742 1.8846 1.8846 1.9531 1.9531 1.9591 1.9591 1.9862 1.9862 2.0300 2.0300 2.0651 2.0651 2.1268 2.1268 2.1585 2.1585 2.2941 2.2941 2.4252 2.4252 2.5093 2.5093 2.5717 2.5717 2.6515 2.6515 2.6887 2.6887 2.7340 2.7340 2.7375 2.7375 2.7817 2.7817 2.8084 2.8084 2.8392 2.8392 2.8641 2.8641 2.8837 2.8837 2.9401 2.9401 2.9870 2.9870 3.1875 3.1875 4.0177 4.0177 5.9970 5.9970 9.1796 9.1796 9.3200 9.3200 9.5306 9.5306 10.9205 10.9205 11.6714 11.6714 11.9771 11.9771 12.6155 12.6155 13.4047 13.4047 13.5134 13.5134 14.0710 14.0710 k = 0.1966 0.3405-0.0000 ( 3807 PWs) bands (ev): -31.3193 -31.3193 -12.6015 -12.6015 -12.2393 -12.2393 -12.2086 -12.2086 0.8321 0.8321 1.8658 1.8658 1.9014 1.9014 1.9501 1.9501 1.9600 1.9600 1.9852 1.9852 2.0267 2.0267 2.0666 2.0666 2.1274 2.1274 2.1619 2.1619 2.2896 2.2896 2.4196 2.4196 2.4900 2.4900 2.5682 2.5682 2.6497 2.6497 2.6888 2.6888 2.7341 2.7341 2.7363 2.7363 2.7779 2.7779 2.8095 2.8095 2.8396 2.8396 2.8638 2.8638 2.8947 2.8947 2.9439 2.9439 3.0007 3.0007 3.1883 3.1883 4.0969 4.0969 6.0850 6.0850 9.1154 9.1154 9.2661 9.2661 9.4774 9.4774 10.8564 10.8564 11.7743 11.7743 11.8504 11.8504 12.7037 12.7037 13.4095 13.4095 13.4779 13.4779 14.0566 14.0566 k = 0.1880 0.3257-0.0000 ( 3805 PWs) bands (ev): -31.3193 -31.3193 -12.6014 -12.6014 -12.2391 -12.2391 -12.2086 -12.2086 0.7895 0.7895 1.8560 1.8560 1.9156 1.9156 1.9473 1.9473 1.9627 1.9627 1.9843 1.9843 2.0233 2.0233 2.0680 2.0680 2.1280 2.1280 2.1647 2.1647 2.2865 2.2865 2.4140 2.4140 2.4717 2.4717 2.5647 2.5647 2.6477 2.6477 2.6887 2.6887 2.7311 2.7311 2.7377 2.7377 2.7741 2.7741 2.8107 2.8107 2.8403 2.8403 2.8641 2.8641 2.9060 2.9060 2.9484 2.9484 3.0150 3.0150 3.1892 3.1892 4.1800 4.1800 6.1744 6.1744 9.0517 9.0517 9.2138 9.2138 9.4273 9.4273 10.7930 10.7930 11.6933 11.6933 11.8971 11.8971 12.7871 12.7871 13.4248 13.4248 13.4460 13.4460 14.0440 14.0440 k = 0.1795 0.3109-0.0000 ( 3805 PWs) bands (ev): -31.3193 -31.3193 -12.6012 -12.6012 -12.2389 -12.2389 -12.2085 -12.2085 0.7476 0.7476 1.8456 1.8456 1.9254 1.9254 1.9447 1.9447 1.9680 1.9680 1.9835 1.9835 2.0199 2.0199 2.0691 2.0691 2.1289 2.1289 2.1666 2.1666 2.2847 2.2847 2.4082 2.4082 2.4552 2.4552 2.5613 2.5613 2.6455 2.6455 2.6884 2.6884 2.7279 2.7279 2.7387 2.7387 2.7702 2.7702 2.8120 2.8120 2.8414 2.8414 2.8647 2.8647 2.9169 2.9169 2.9539 2.9539 3.0294 3.0294 3.1901 3.1901 4.2669 4.2669 6.2648 6.2648 8.9886 8.9886 9.1631 9.1631 9.3804 9.3804 10.7308 10.7308 11.5412 11.5412 12.0071 12.0071 12.8643 12.8643 13.4165 13.4165 13.4491 13.4491 14.0338 14.0338 k = 0.1709 0.2961-0.0000 ( 3805 PWs) bands (ev): -31.3193 -31.3193 -12.6011 -12.6011 -12.2387 -12.2387 -12.2085 -12.2085 0.7065 0.7065 1.8348 1.8348 1.9306 1.9306 1.9423 1.9423 1.9753 1.9753 1.9827 1.9827 2.0172 2.0172 2.0699 2.0699 2.1299 2.1299 2.1679 2.1679 2.2842 2.2842 2.4018 2.4018 2.4412 2.4412 2.5581 2.5581 2.6432 2.6432 2.6879 2.6879 2.7245 2.7245 2.7392 2.7392 2.7666 2.7666 2.8135 2.8135 2.8429 2.8429 2.8656 2.8656 2.9266 2.9266 2.9604 2.9604 3.0440 3.0440 3.1912 3.1912 4.3575 4.3575 6.3557 6.3557 8.9259 8.9259 9.1141 9.1141 9.3370 9.3370 10.6699 10.6699 11.3825 11.3825 12.1186 12.1186 12.9339 12.9339 13.3910 13.3910 13.4792 13.4792 14.0263 14.0263 k = 0.1624 0.2813-0.0000 ( 3805 PWs) bands (ev): -31.3193 -31.3193 -12.6010 -12.6010 -12.2385 -12.2385 -12.2084 -12.2084 0.6663 0.6663 1.8238 1.8238 1.9324 1.9324 1.9404 1.9404 1.9804 1.9804 1.9843 1.9843 2.0160 2.0160 2.0704 2.0704 2.1311 2.1311 2.1687 2.1687 2.2844 2.2844 2.3942 2.3942 2.4304 2.4304 2.5550 2.5550 2.6409 2.6409 2.6871 2.6871 2.7213 2.7213 2.7392 2.7392 2.7630 2.7630 2.8151 2.8151 2.8445 2.8445 2.8666 2.8666 2.9349 2.9349 2.9685 2.9685 3.0584 3.0584 3.1922 3.1922 4.4516 4.4516 6.4468 6.4468 8.8632 8.8632 9.0668 9.0668 9.2973 9.2973 10.6106 10.6106 11.2204 11.2204 12.2301 12.2301 12.9943 12.9943 13.3684 13.3684 13.5143 13.5143 14.0222 14.0222 k = 0.1538 0.2665-0.0000 ( 3807 PWs) bands (ev): -31.3193 -31.3193 -12.6009 -12.6009 -12.2383 -12.2383 -12.2084 -12.2084 0.6272 0.6272 1.8126 1.8126 1.9320 1.9320 1.9389 1.9389 1.9800 1.9800 1.9882 1.9882 2.0177 2.0177 2.0707 2.0707 2.1325 2.1325 2.1695 2.1695 2.2850 2.2850 2.3855 2.3855 2.4230 2.4230 2.5521 2.5521 2.6386 2.6386 2.6860 2.6860 2.7182 2.7182 2.7388 2.7388 2.7596 2.7596 2.8169 2.8169 2.8464 2.8464 2.8677 2.8677 2.9415 2.9415 2.9779 2.9779 3.0726 3.0726 3.1934 3.1934 4.5492 4.5492 6.5375 6.5375 8.8004 8.8004 9.0214 9.0214 9.2616 9.2616 10.5530 10.5530 11.0572 11.0572 12.3408 12.3408 13.0442 13.0442 13.3487 13.3487 13.5532 13.5532 14.0220 14.0220 k = 0.1453 0.2517-0.0000 ( 3799 PWs) bands (ev): -31.3193 -31.3193 -12.6007 -12.6007 -12.2380 -12.2380 -12.2083 -12.2083 0.5894 0.5894 1.8014 1.8014 1.9308 1.9308 1.9377 1.9377 1.9791 1.9791 1.9889 1.9889 2.0225 2.0225 2.0709 2.0709 2.1337 2.1337 2.1705 2.1705 2.2854 2.2854 2.3764 2.3764 2.4186 2.4186 2.5495 2.5495 2.6364 2.6364 2.6845 2.6845 2.7154 2.7154 2.7380 2.7380 2.7564 2.7564 2.8189 2.8189 2.8484 2.8484 2.8689 2.8689 2.9468 2.9468 2.9881 2.9881 3.0866 3.0866 3.1947 3.1947 4.6501 4.6501 6.6273 6.6273 8.7372 8.7372 8.9779 8.9779 9.2300 9.2300 10.4969 10.4969 10.8946 10.8946 12.4498 12.4498 13.0823 13.0823 13.3319 13.3319 13.5951 13.5951 14.0267 14.0267 k = 0.1368 0.2369-0.0000 ( 3799 PWs) bands (ev): -31.3193 -31.3193 -12.6006 -12.6006 -12.2378 -12.2378 -12.2083 -12.2083 0.5530 0.5530 1.7903 1.7903 1.9289 1.9289 1.9364 1.9364 1.9780 1.9780 1.9872 1.9872 2.0284 2.0284 2.0713 2.0713 2.1348 2.1348 2.1721 2.1721 2.2853 2.2853 2.3677 2.3677 2.4165 2.4165 2.5472 2.5472 2.6343 2.6343 2.6826 2.6826 2.7129 2.7129 2.7370 2.7370 2.7533 2.7533 2.8208 2.8208 2.8504 2.8504 2.8701 2.8701 2.9512 2.9512 2.9988 2.9988 3.1002 3.1002 3.1960 3.1960 4.7540 4.7540 6.7158 6.7158 8.6731 8.6731 8.9364 8.9364 9.2029 9.2029 10.4425 10.4425 10.7342 10.7342 12.5562 12.5562 13.1077 13.1077 13.3176 13.3176 13.6394 13.6394 14.0372 14.0372 k = 0.1282 0.2221-0.0000 ( 3797 PWs) bands (ev): -31.3193 -31.3193 -12.6005 -12.6005 -12.2376 -12.2376 -12.2082 -12.2082 0.5182 0.5182 1.7794 1.7794 1.9270 1.9270 1.9350 1.9350 1.9769 1.9769 1.9845 1.9845 2.0336 2.0336 2.0721 2.0721 2.1356 2.1356 2.1745 2.1745 2.2843 2.2843 2.3598 2.3598 2.4161 2.4161 2.5451 2.5451 2.6323 2.6323 2.6803 2.6803 2.7107 2.7107 2.7357 2.7357 2.7504 2.7504 2.8228 2.8228 2.8525 2.8525 2.8714 2.8714 2.9550 2.9550 3.0093 3.0093 3.1132 3.1132 3.1975 3.1975 4.8608 4.8608 6.8022 6.8022 8.6076 8.6076 8.8969 8.8969 9.1805 9.1805 10.3896 10.3896 10.5774 10.5774 12.6586 12.6586 13.1200 13.1200 13.3057 13.3057 13.6855 13.6855 14.0547 14.0547 k = 0.1197 0.2073-0.0000 ( 3799 PWs) bands (ev): -31.3193 -31.3193 -12.6003 -12.6003 -12.2374 -12.2374 -12.2082 -12.2082 0.4850 0.4850 1.7688 1.7688 1.9251 1.9251 1.9336 1.9336 1.9757 1.9757 1.9816 1.9816 2.0372 2.0372 2.0738 2.0738 2.1362 2.1362 2.1777 2.1777 2.2824 2.2824 2.3528 2.3528 2.4172 2.4172 2.5433 2.5433 2.6304 2.6304 2.6776 2.6776 2.7088 2.7088 2.7342 2.7342 2.7476 2.7476 2.8247 2.8247 2.8545 2.8545 2.8727 2.8727 2.9583 2.9583 3.0196 3.0196 3.1258 3.1258 3.1990 3.1990 4.9703 4.9703 6.8861 6.8861 8.5404 8.5404 8.8596 8.8596 9.1630 9.1630 10.3380 10.3380 10.4257 10.4257 12.7557 12.7557 13.1192 13.1192 13.2962 13.2962 13.7330 13.7330 14.0806 14.0806 k = 0.1111 0.1925-0.0000 ( 3797 PWs) bands (ev): -31.3193 -31.3193 -12.6002 -12.6002 -12.2372 -12.2372 -12.2081 -12.2081 0.4537 0.4537 1.7586 1.7586 1.9232 1.9232 1.9320 1.9320 1.9744 1.9744 1.9787 1.9787 2.0388 2.0388 2.0763 2.0763 2.1365 2.1365 2.1818 2.1818 2.2797 2.2797 2.3466 2.3466 2.4195 2.4195 2.5418 2.5418 2.6286 2.6286 2.6747 2.6747 2.7071 2.7071 2.7326 2.7326 2.7449 2.7449 2.8265 2.8265 2.8565 2.8565 2.8741 2.8741 2.9614 2.9614 3.0295 3.0295 3.1377 3.1377 3.2006 3.2006 5.0821 5.0821 6.9669 6.9669 8.4708 8.4708 8.8244 8.8244 9.1507 9.1507 10.2752 10.2752 10.2930 10.2930 12.8460 12.8460 13.1061 13.1061 13.2886 13.2886 13.7817 13.7817 14.1162 14.1162 k = 0.1026 0.1776-0.0000 ( 3791 PWs) bands (ev): -31.3193 -31.3193 -12.6001 -12.6001 -12.2370 -12.2370 -12.2081 -12.2081 0.4243 0.4243 1.7488 1.7488 1.9214 1.9214 1.9303 1.9303 1.9730 1.9730 1.9760 1.9760 2.0388 2.0388 2.0795 2.0795 2.1368 2.1368 2.1866 2.1866 2.2764 2.2764 2.3411 2.3411 2.4229 2.4229 2.5406 2.5406 2.6271 2.6271 2.6716 2.6716 2.7057 2.7057 2.7310 2.7310 2.7424 2.7424 2.8283 2.8283 2.8584 2.8584 2.8755 2.8755 2.9641 2.9641 3.0388 3.0388 3.1489 3.1489 3.2024 3.2024 5.1959 5.1959 7.0438 7.0438 8.3983 8.3983 8.7916 8.7916 9.1438 9.1438 10.1405 10.1405 10.2409 10.2409 12.9281 12.9281 13.0818 13.0818 13.2830 13.2830 13.8310 13.8310 14.1630 14.1630 k = 0.0940 0.1628-0.0000 ( 3787 PWs) bands (ev): -31.3193 -31.3193 -12.5999 -12.5999 -12.2368 -12.2368 -12.2080 -12.2080 0.3968 0.3968 1.7396 1.7396 1.9197 1.9197 1.9285 1.9285 1.9715 1.9715 1.9738 1.9738 2.0377 2.0377 2.0828 2.0828 2.1370 2.1370 2.1920 2.1920 2.2728 2.2728 2.3358 2.3358 2.4270 2.4270 2.5397 2.5397 2.6256 2.6256 2.6685 2.6685 2.7044 2.7044 2.7293 2.7293 2.7401 2.7401 2.8299 2.8299 2.8601 2.8601 2.8769 2.8769 2.9666 2.9666 3.0474 3.0474 3.1594 3.1594 3.2042 3.2042 5.3114 5.3114 7.1162 7.1162 8.3224 8.3224 8.7610 8.7610 9.1424 9.1424 10.0112 10.0112 10.1933 10.1933 13.0007 13.0007 13.0481 13.0481 13.2790 13.2790 13.8808 13.8808 14.2221 14.2221 k = 0.0855 0.1480-0.0000 ( 3783 PWs) bands (ev): -31.3193 -31.3193 -12.5998 -12.5998 -12.2366 -12.2366 -12.2080 -12.2080 0.3715 0.3715 1.7310 1.7310 1.9181 1.9181 1.9267 1.9267 1.9699 1.9699 1.9720 1.9720 2.0359 2.0359 2.0860 2.0860 2.1372 2.1372 2.1978 2.1978 2.2691 2.2691 2.3305 2.3305 2.4316 2.4316 2.5390 2.5390 2.6243 2.6243 2.6653 2.6653 2.7032 2.7032 2.7277 2.7277 2.7380 2.7380 2.8313 2.8313 2.8617 2.8617 2.8783 2.8783 2.9689 2.9689 3.0552 3.0552 3.1690 3.1690 3.2062 3.2062 5.4280 5.4280 7.1836 7.1836 8.2427 8.2427 8.7329 8.7329 9.1466 9.1466 9.8916 9.8916 10.1471 10.1471 13.0062 13.0062 13.0639 13.0639 13.2764 13.2764 13.9306 13.9306 14.2938 14.2938 k = 0.0769 0.1332-0.0000 ( 3783 PWs) bands (ev): -31.3193 -31.3193 -12.5997 -12.5997 -12.2365 -12.2365 -12.2079 -12.2079 0.3484 0.3484 1.7230 1.7230 1.9166 1.9166 1.9249 1.9249 1.9682 1.9682 1.9705 1.9705 2.0336 2.0336 2.0889 2.0889 2.1375 2.1375 2.2040 2.2040 2.2656 2.2656 2.3252 2.3252 2.4365 2.4365 2.5387 2.5387 2.6232 2.6232 2.6622 2.6622 2.7020 2.7020 2.7261 2.7261 2.7361 2.7361 2.8327 2.8327 2.8630 2.8630 2.8797 2.8797 2.9710 2.9710 3.0623 3.0623 3.1776 3.1776 3.2083 3.2083 5.5452 5.5452 7.2453 7.2453 8.1591 8.1591 8.7072 8.7072 9.1561 9.1561 9.7827 9.7827 10.1021 10.1021 12.9599 12.9599 13.1163 13.1163 13.2751 13.2751 13.9798 13.9798 14.3391 14.3391 k = 0.0684 0.1184-0.0000 ( 3777 PWs) bands (ev): -31.3193 -31.3193 -12.5996 -12.5996 -12.2363 -12.2363 -12.2079 -12.2079 0.3275 0.3275 1.7158 1.7158 1.9152 1.9152 1.9232 1.9232 1.9666 1.9666 1.9692 1.9692 2.0313 2.0313 2.0913 2.0913 2.1379 2.1379 2.2105 2.2105 2.2623 2.2623 2.3199 2.3199 2.4415 2.4415 2.5385 2.5385 2.6221 2.6221 2.6593 2.6593 2.7010 2.7010 2.7246 2.7246 2.7344 2.7344 2.8339 2.8339 2.8642 2.8642 2.8811 2.8811 2.9728 2.9728 3.0687 3.0687 3.1853 3.1853 3.2106 3.2106 5.6620 5.6620 7.3011 7.3011 8.0718 8.0718 8.6841 8.6841 9.1708 9.1708 9.6854 9.6854 10.0582 10.0582 12.9106 12.9106 13.1592 13.1592 13.2747 13.2747 14.0281 14.0281 14.3255 14.3255 k = 0.0598 0.1036-0.0000 ( 3777 PWs) bands (ev): -31.3194 -31.3194 -12.5995 -12.5995 -12.2362 -12.2362 -12.2078 -12.2078 0.3089 0.3089 1.7093 1.7093 1.9139 1.9139 1.9216 1.9216 1.9653 1.9653 1.9680 1.9680 2.0290 2.0290 2.0934 2.0934 2.1382 2.1382 2.2171 2.2171 2.2593 2.2593 2.3143 2.3143 2.4463 2.4463 2.5385 2.5385 2.6212 2.6212 2.6566 2.6566 2.6999 2.6999 2.7232 2.7232 2.7329 2.7329 2.8349 2.8349 2.8653 2.8653 2.8824 2.8824 2.9745 2.9745 3.0743 3.0743 3.1918 3.1918 3.2131 3.2131 5.7776 5.7776 7.3503 7.3503 7.9816 7.9816 8.6636 8.6636 9.1899 9.1899 9.6000 9.6000 10.0155 10.0155 12.8609 12.8609 13.1935 13.1935 13.2751 13.2751 14.0747 14.0747 14.3123 14.3123 k = 0.0513 0.0888-0.0000 ( 3769 PWs) bands (ev): -31.3193 -31.3193 -12.5994 -12.5994 -12.2360 -12.2360 -12.2078 -12.2078 0.2927 0.2927 1.7036 1.7036 1.9126 1.9126 1.9202 1.9202 1.9641 1.9641 1.9670 1.9670 2.0269 2.0269 2.0952 2.0952 2.1387 2.1387 2.2239 2.2239 2.2567 2.2567 2.3086 2.3086 2.4508 2.4508 2.5387 2.5387 2.6204 2.6204 2.6542 2.6542 2.6988 2.6988 2.7220 2.7220 2.7315 2.7315 2.8358 2.8358 2.8662 2.8662 2.8836 2.8836 2.9759 2.9759 3.0791 3.0791 3.1971 3.1971 3.2158 3.2158 5.8903 5.8903 7.3929 7.3929 7.8899 7.8899 8.6456 8.6456 9.2127 9.2127 9.5268 9.5268 9.9744 9.9744 12.8129 12.8129 13.2204 13.2204 13.2760 13.2760 14.1188 14.1188 14.3004 14.3004 k = 0.0427 0.0740-0.0000 ( 3757 PWs) bands (ev): -31.3193 -31.3193 -12.5994 -12.5994 -12.2359 -12.2359 -12.2077 -12.2077 0.2790 0.2790 1.6988 1.6988 1.9115 1.9115 1.9190 1.9190 1.9633 1.9633 1.9661 1.9661 2.0250 2.0250 2.0966 2.0966 2.1391 2.1391 2.2306 2.2306 2.2546 2.2546 2.3029 2.3029 2.4548 2.4548 2.5389 2.5389 2.6198 2.6198 2.6521 2.6521 2.6979 2.6979 2.7210 2.7210 2.7305 2.7305 2.8366 2.8366 2.8669 2.8669 2.8846 2.8846 2.9772 2.9772 3.0831 3.0831 3.2013 3.2013 3.2185 3.2185 5.9981 5.9981 7.4287 7.4287 7.7991 7.7991 8.6304 8.6304 9.2379 9.2379 9.4658 9.4658 9.9355 9.9355 12.7687 12.7687 13.2410 13.2410 13.2772 13.2772 14.1594 14.1594 14.2903 14.2903 k = 0.0342 0.0592-0.0000 ( 3755 PWs) bands (ev): -31.3193 -31.3193 -12.5993 -12.5993 -12.2358 -12.2358 -12.2077 -12.2077 0.2676 0.2676 1.6947 1.6947 1.9106 1.9106 1.9181 1.9181 1.9626 1.9626 1.9652 1.9652 2.0234 2.0234 2.0977 2.0977 2.1395 2.1395 2.2372 2.2372 2.2528 2.2528 2.2971 2.2971 2.4583 2.4583 2.5392 2.5392 2.6192 2.6192 2.6502 2.6502 2.6970 2.6970 2.7201 2.7201 2.7296 2.7296 2.8372 2.8372 2.8675 2.8675 2.8855 2.8855 2.9782 2.9782 3.0863 3.0863 3.2044 3.2044 3.2211 3.2211 6.0982 6.0982 7.4576 7.4576 7.7124 7.7124 8.6179 8.6179 9.2636 9.2636 9.4169 9.4169 9.8996 9.8996 12.7300 12.7300 13.2563 13.2563 13.2785 13.2785 14.1952 14.1952 14.2821 14.2821 k = 0.0256 0.0444-0.0000 ( 3767 PWs) bands (ev): -31.3194 -31.3194 -12.5993 -12.5993 -12.2358 -12.2358 -12.2077 -12.2077 0.2588 0.2588 1.6916 1.6916 1.9098 1.9098 1.9172 1.9172 1.9620 1.9620 1.9645 1.9645 2.0220 2.0220 2.0985 2.0985 2.1397 2.1397 2.2435 2.2435 2.2514 2.2514 2.2914 2.2914 2.4610 2.4610 2.5394 2.5394 2.6188 2.6188 2.6488 2.6488 2.6962 2.6962 2.7194 2.7194 2.7289 2.7289 2.8377 2.8377 2.8679 2.8679 2.8862 2.8862 2.9789 2.9789 3.0888 3.0888 3.2066 3.2066 3.2234 3.2234 6.1863 6.1863 7.4792 7.4792 7.6347 7.6347 8.6081 8.6081 9.2874 9.2874 9.3800 9.3800 9.8681 9.8681 12.6983 12.6983 13.2672 13.2672 13.2799 13.2799 14.2249 14.2249 14.2758 14.2758 k = 0.0171 0.0296-0.0000 ( 3767 PWs) bands (ev): -31.3194 -31.3194 -12.5993 -12.5993 -12.2357 -12.2357 -12.2077 -12.2077 0.2524 0.2524 1.6893 1.6893 1.9092 1.9092 1.9167 1.9167 1.9617 1.9617 1.9641 1.9641 2.0211 2.0211 2.0991 2.0991 2.1399 2.1399 2.2489 2.2489 2.2509 2.2509 2.2861 2.2861 2.4630 2.4630 2.5397 2.5397 2.6184 2.6184 2.6478 2.6478 2.6957 2.6957 2.7188 2.7188 2.7284 2.7284 2.8380 2.8380 2.8682 2.8682 2.8868 2.8868 2.9794 2.9794 3.0906 3.0906 3.2080 3.2080 3.2253 3.2253 6.2569 6.2569 7.4927 7.4927 7.5731 7.5731 8.6011 8.6011 9.3059 9.3059 9.3557 9.3557 9.8430 9.8430 12.6748 12.6748 13.2741 13.2741 13.2814 13.2814 14.2470 14.2470 14.2718 14.2718 k = 0.0085 0.0148-0.0000 ( 3761 PWs) bands (ev): -31.3194 -31.3194 -12.5992 -12.5992 -12.2357 -12.2357 -12.2077 -12.2077 0.2486 0.2486 1.6880 1.6880 1.9088 1.9088 1.9164 1.9164 1.9614 1.9614 1.9638 1.9638 2.0206 2.0206 2.0994 2.0994 2.1401 2.1401 2.2496 2.2496 2.2541 2.2541 2.2818 2.2818 2.4642 2.4642 2.5398 2.5398 2.6183 2.6183 2.6472 2.6472 2.6953 2.6953 2.7185 2.7185 2.7281 2.7281 2.8382 2.8382 2.8685 2.8685 2.8871 2.8871 2.9798 2.9798 3.0917 3.0917 3.2089 3.2089 3.2264 3.2264 6.3033 6.3033 7.4946 7.4946 7.5379 7.5379 8.5969 8.5969 9.3142 9.3142 9.3455 9.3455 9.8266 9.8266 12.6604 12.6604 13.2774 13.2774 13.2830 13.2830 14.2592 14.2592 14.2710 14.2710 k = 0.0000 0.0000 0.0000 ( 3761 PWs) bands (ev): -31.3194 -31.3194 -12.5992 -12.5992 -12.2356 -12.2356 -12.2077 -12.2077 0.2474 0.2474 1.6875 1.6875 1.9087 1.9087 1.9163 1.9163 1.9614 1.9614 1.9637 1.9637 2.0204 2.0204 2.0995 2.0995 2.1401 2.1401 2.2494 2.2494 2.2560 2.2560 2.2800 2.2800 2.4646 2.4646 2.5399 2.5399 2.6182 2.6182 2.6470 2.6470 2.6952 2.6952 2.7184 2.7184 2.7280 2.7280 2.8383 2.8383 2.8685 2.8685 2.8872 2.8872 2.9799 2.9799 3.0920 3.0920 3.2091 3.2091 3.2268 3.2268 6.3197 6.3197 7.4906 7.4906 7.5301 7.5301 8.5955 8.5955 9.3149 9.3149 9.3445 9.3445 9.8209 9.8209 12.6555 12.6555 13.2783 13.2783 13.2838 13.2838 14.2619 14.2619 14.2723 14.2723 k = 0.0000 0.0000 0.0000 ( 3761 PWs) bands (ev): -31.3194 -31.3194 -12.5992 -12.5992 -12.2356 -12.2356 -12.2077 -12.2077 0.2474 0.2474 1.6875 1.6875 1.9087 1.9087 1.9163 1.9163 1.9614 1.9614 1.9637 1.9637 2.0204 2.0204 2.0995 2.0995 2.1401 2.1401 2.2494 2.2494 2.2560 2.2560 2.2800 2.2800 2.4646 2.4646 2.5399 2.5399 2.6182 2.6182 2.6470 2.6470 2.6952 2.6952 2.7184 2.7184 2.7280 2.7280 2.8383 2.8383 2.8685 2.8685 2.8872 2.8872 2.9799 2.9799 3.0920 3.0920 3.2091 3.2091 3.2268 3.2268 6.3197 6.3197 7.4906 7.4906 7.5301 7.5301 8.5955 8.5955 9.3149 9.3149 9.3445 9.3445 9.8209 9.8209 12.6555 12.6555 13.2783 13.2783 13.2838 13.2838 14.2619 14.2619 14.2723 14.2723 k = 0.0000 0.0000 0.0172 ( 3761 PWs) bands (ev): -31.3193 -31.3193 -12.5992 -12.5992 -12.2356 -12.2356 -12.2078 -12.2078 0.2489 0.2489 1.6880 1.6880 1.9090 1.9090 1.9166 1.9166 1.9592 1.9592 1.9639 1.9639 2.0204 2.0204 2.0985 2.0985 2.1383 2.1383 2.2494 2.2494 2.2561 2.2561 2.2829 2.2829 2.4661 2.4661 2.5398 2.5398 2.6153 2.6153 2.6493 2.6493 2.6955 2.6955 2.7185 2.7185 2.7284 2.7284 2.8387 2.8387 2.8685 2.8685 2.8875 2.8875 2.9800 2.9800 3.0917 3.0917 3.2086 3.2086 3.2265 3.2265 6.3209 6.3209 7.4917 7.4917 7.5312 7.5312 8.5647 8.5647 9.3155 9.3155 9.3451 9.3451 9.8494 9.8494 12.6620 12.6620 13.2777 13.2777 13.2832 13.2832 14.2515 14.2515 14.2615 14.2615 k = 0.0000 0.0000 0.0343 ( 3737 PWs) bands (ev): -31.3193 -31.3193 -12.5992 -12.5992 -12.2356 -12.2356 -12.2078 -12.2078 0.2533 0.2533 1.6895 1.6895 1.9102 1.9102 1.9178 1.9178 1.9528 1.9528 1.9646 1.9646 2.0204 2.0204 2.0957 2.0957 2.1333 2.1333 2.2495 2.2495 2.2565 2.2565 2.2912 2.2912 2.4705 2.4705 2.5396 2.5396 2.6085 2.6085 2.6544 2.6544 2.6966 2.6966 2.7189 2.7189 2.7295 2.7295 2.8401 2.8401 2.8686 2.8686 2.8882 2.8882 2.9805 2.9805 3.0908 3.0908 3.2070 3.2070 3.2256 3.2256 6.3245 6.3245 7.4950 7.4950 7.5346 7.5346 8.4800 8.4800 9.3172 9.3172 9.3469 9.3469 9.9275 9.9275 12.6818 12.6818 13.2760 13.2760 13.2817 13.2817 14.2207 14.2207 14.2293 14.2293 k = 0.0000 0.0000 0.0515 ( 3737 PWs) bands (ev): -31.3193 -31.3193 -12.5993 -12.5993 -12.2356 -12.2356 -12.2080 -12.2080 0.2608 0.2608 1.6920 1.6920 1.9118 1.9118 1.9197 1.9197 1.9426 1.9426 1.9656 1.9656 2.0205 2.0205 2.0912 2.0912 2.1256 2.1256 2.2495 2.2495 2.2569 2.2569 2.3036 2.3036 2.4773 2.4773 2.5390 2.5390 2.5999 2.5999 2.6599 2.6599 2.6982 2.6982 2.7194 2.7194 2.7315 2.7315 2.8421 2.8421 2.8687 2.8687 2.8895 2.8895 2.9811 2.9811 3.0892 3.0892 3.2041 3.2041 3.2240 3.2240 6.3306 6.3306 7.5006 7.5006 7.5402 7.5402 8.3571 8.3571 9.3201 9.3201 9.3498 9.3498 10.0390 10.0390 12.7149 12.7149 13.2730 13.2730 13.2791 13.2791 14.1702 14.1702 14.1768 14.1768 k = 0.0000 0.0000 0.0686 ( 3749 PWs) bands (ev): -31.3193 -31.3193 -12.5994 -12.5994 -12.2356 -12.2356 -12.2084 -12.2084 0.2711 0.2711 1.6954 1.6954 1.9141 1.9141 1.9222 1.9222 1.9292 1.9292 1.9670 1.9670 2.0203 2.0203 2.0850 2.0850 2.1163 2.1163 2.2495 2.2495 2.2573 2.2573 2.3190 2.3190 2.4865 2.4865 2.5382 2.5382 2.5907 2.5907 2.6644 2.6644 2.7005 2.7005 2.7200 2.7200 2.7347 2.7347 2.8448 2.8448 2.8688 2.8688 2.8914 2.8914 2.9819 2.9819 3.0869 3.0869 3.2002 3.2002 3.2219 3.2219 6.3392 6.3392 7.5084 7.5084 7.5480 7.5480 8.2098 8.2098 9.3241 9.3241 9.3538 9.3538 10.1699 10.1699 12.7614 12.7614 13.2689 13.2689 13.2755 13.2755 14.1014 14.1014 14.1054 14.1054 k = 0.0000 0.0000 0.0858 ( 3749 PWs) bands (ev): -31.3193 -31.3193 -12.5995 -12.5995 -12.2355 -12.2355 -12.2087 -12.2087 0.2844 0.2844 1.6999 1.6999 1.9135 1.9135 1.9171 1.9171 1.9255 1.9255 1.9689 1.9689 2.0198 2.0198 2.0775 2.0775 2.1063 2.1063 2.2495 2.2495 2.2577 2.2577 2.3364 2.3364 2.4978 2.4978 2.5372 2.5372 2.5811 2.5811 2.6676 2.6676 2.7032 2.7032 2.7208 2.7208 2.7393 2.7393 2.8480 2.8480 2.8690 2.8690 2.8941 2.8941 2.9830 2.9830 3.0839 3.0839 3.1952 3.1952 3.2193 3.2193 6.3502 6.3502 7.5185 7.5185 7.5581 7.5581 8.0476 8.0476 9.3291 9.3291 9.3589 9.3589 10.3104 10.3104 12.8218 12.8218 13.2638 13.2638 13.2710 13.2710 14.0161 14.0161 14.0171 14.0171 k = 0.0000 0.0000 0.1029 ( 3749 PWs) bands (ev): -31.3192 -31.3192 -12.5997 -12.5997 -12.2354 -12.2354 -12.2092 -12.2092 0.3007 0.3007 1.7054 1.7054 1.8959 1.8959 1.9208 1.9208 1.9296 1.9296 1.9710 1.9710 2.0187 2.0187 2.0690 2.0690 2.0962 2.0962 2.2495 2.2495 2.2578 2.2578 2.3549 2.3549 2.5109 2.5109 2.5360 2.5360 2.5715 2.5715 2.6691 2.6691 2.7065 2.7065 2.7218 2.7218 2.7452 2.7452 2.8514 2.8514 2.8692 2.8692 2.8978 2.8978 2.9845 2.9845 3.0800 3.0800 3.1891 3.1891 3.2163 3.2163 6.3636 6.3636 7.5308 7.5308 7.5705 7.5705 7.8762 7.8762 9.3353 9.3353 9.3651 9.3651 10.4543 10.4543 12.8960 12.8960 13.2577 13.2577 13.2657 13.2657 13.9143 13.9143 13.9163 13.9163 k = 0.0000 0.0000 0.1201 ( 3749 PWs) bands (ev): -31.3192 -31.3192 -12.5998 -12.5998 -12.2354 -12.2354 -12.2098 -12.2098 0.3197 0.3197 1.7119 1.7119 1.8770 1.8770 1.9250 1.9250 1.9344 1.9344 1.9735 1.9735 2.0166 2.0166 2.0598 2.0598 2.0867 2.0867 2.2494 2.2494 2.2576 2.2576 2.3739 2.3739 2.5255 2.5255 2.5346 2.5346 2.5620 2.5620 2.6689 2.6689 2.7102 2.7102 2.7230 2.7230 2.7523 2.7523 2.8547 2.8547 2.8694 2.8694 2.9025 2.9025 2.9863 2.9863 3.0754 3.0754 3.1821 3.1821 3.2131 3.2131 6.3794 6.3794 7.5454 7.5454 7.5851 7.5851 7.6992 7.6992 9.3424 9.3424 9.3722 9.3722 10.5979 10.5979 12.9841 12.9841 13.2508 13.2508 13.2596 13.2596 13.7992 13.7992 13.8042 13.8042 k = 0.0000 0.0000 0.1372 ( 3737 PWs) bands (ev): -31.3192 -31.3192 -12.6000 -12.6000 -12.2352 -12.2352 -12.2104 -12.2104 0.3417 0.3417 1.7195 1.7195 1.8572 1.8572 1.9299 1.9299 1.9398 1.9398 1.9761 1.9761 2.0128 2.0128 2.0501 2.0501 2.0788 2.0788 2.2494 2.2494 2.2571 2.2571 2.3929 2.3929 2.5330 2.5330 2.5415 2.5415 2.5526 2.5526 2.6674 2.6674 2.7143 2.7143 2.7244 2.7244 2.7603 2.7603 2.8579 2.8579 2.8697 2.8697 2.9086 2.9086 2.9884 2.9884 3.0698 3.0698 3.1742 3.1742 3.2096 3.2096 6.3978 6.3978 7.5189 7.5189 7.5622 7.5622 7.6020 7.6020 9.3504 9.3504 9.3804 9.3804 10.7386 10.7386 13.0860 13.0860 13.2431 13.2431 13.2529 13.2529 13.6740 13.6740 13.6821 13.6821 k = 0.0000 0.0000 0.1544 ( 3737 PWs) bands (ev): -31.3191 -31.3191 -12.6002 -12.6002 -12.2351 -12.2351 -12.2110 -12.2110 0.3664 0.3664 1.7281 1.7281 1.8370 1.8370 1.9353 1.9353 1.9460 1.9460 1.9786 1.9786 2.0068 2.0068 2.0403 2.0403 2.0729 2.0729 2.2492 2.2492 2.2561 2.2561 2.4116 2.4116 2.5311 2.5311 2.5434 2.5434 2.5585 2.5585 2.6647 2.6647 2.7186 2.7186 2.7260 2.7260 2.7690 2.7690 2.8607 2.8607 2.8700 2.8700 2.9158 2.9158 2.9910 2.9910 3.0632 3.0632 3.1654 3.1654 3.2060 3.2060 6.4185 6.4185 7.3367 7.3367 7.5812 7.5812 7.6212 7.6212 9.3593 9.3593 9.3894 9.3894 10.8750 10.8750 13.2012 13.2012 13.2349 13.2349 13.2457 13.2457 13.5194 13.5194 13.5428 13.5428 k = 0.0000 0.0000 0.1716 ( 3755 PWs) bands (ev): -31.3191 -31.3191 -12.6005 -12.6005 -12.2351 -12.2351 -12.2119 -12.2119 0.3938 0.3938 1.7377 1.7377 1.8163 1.8163 1.9411 1.9411 1.9528 1.9528 1.9806 1.9806 1.9985 1.9985 2.0310 2.0310 2.0693 2.0693 2.2489 2.2489 2.2547 2.2547 2.4294 2.4294 2.5289 2.5289 2.5344 2.5344 2.5765 2.5765 2.6610 2.6610 2.7230 2.7230 2.7276 2.7276 2.7780 2.7780 2.8630 2.8630 2.8704 2.8704 2.9243 2.9243 2.9940 2.9940 3.0555 3.0555 3.1558 3.1558 3.2024 3.2024 6.4417 6.4417 7.1537 7.1537 7.6025 7.6025 7.6426 7.6426 9.3691 9.3691 9.3992 9.3992 11.0064 11.0064 13.2260 13.2260 13.2381 13.2381 13.3229 13.3229 13.3286 13.3286 13.4034 13.4034 k = 0.0000 0.0000 0.1887 ( 3761 PWs) bands (ev): -31.3190 -31.3190 -12.6008 -12.6008 -12.2349 -12.2349 -12.2127 -12.2127 0.4238 0.4238 1.7484 1.7484 1.7957 1.7957 1.9475 1.9475 1.9603 1.9603 1.9813 1.9813 1.9882 1.9882 2.0234 2.0234 2.0678 2.0678 2.2486 2.2486 2.2530 2.2530 2.4464 2.4464 2.5256 2.5256 2.5265 2.5265 2.5952 2.5952 2.6566 2.6566 2.7275 2.7275 2.7294 2.7294 2.7873 2.7873 2.8648 2.8648 2.8708 2.8708 2.9338 2.9338 2.9975 2.9975 3.0468 3.0468 3.1456 3.1456 3.1988 3.1988 6.4674 6.4674 6.9707 6.9707 7.6261 7.6261 7.6662 7.6662 9.3795 9.3795 9.4098 9.4098 11.1326 11.1326 13.1291 13.1291 13.2168 13.2168 13.2301 13.2301 13.2604 13.2604 13.2749 13.2749 k = 0.0000 0.0000 0.2059 ( 3761 PWs) bands (ev): -31.3190 -31.3190 -12.6010 -12.6010 -12.2348 -12.2348 -12.2135 -12.2135 0.4564 0.4564 1.7603 1.7603 1.7752 1.7752 1.9540 1.9540 1.9684 1.9684 1.9767 1.9767 1.9794 1.9794 2.0188 2.0188 2.0680 2.0680 2.2482 2.2482 2.2509 2.2509 2.4622 2.4622 2.5172 2.5172 2.5239 2.5239 2.6145 2.6145 2.6515 2.6515 2.7314 2.7314 2.7321 2.7321 2.7967 2.7967 2.8663 2.8663 2.8714 2.8714 2.9441 2.9441 3.0015 3.0015 3.0370 3.0370 3.1349 3.1349 3.1955 3.1955 6.4954 6.4954 6.7883 6.7883 7.6519 7.6519 7.6921 7.6921 9.3906 9.3906 9.4211 9.4211 11.2537 11.2537 12.9385 12.9385 13.1143 13.1143 13.1306 13.1306 13.2074 13.2074 13.2223 13.2223 k = 0.0000 0.0000 0.2230 ( 3767 PWs) bands (ev): -31.3189 -31.3189 -12.6013 -12.6013 -12.2347 -12.2347 -12.2145 -12.2145 0.4915 0.4915 1.7550 1.7550 1.7733 1.7733 1.9597 1.9597 1.9643 1.9643 1.9753 1.9753 1.9772 1.9772 2.0179 2.0179 2.0694 2.0694 2.2477 2.2477 2.2486 2.2486 2.4768 2.4768 2.5092 2.5092 2.5210 2.5210 2.6341 2.6341 2.6459 2.6459 2.7335 2.7335 2.7366 2.7366 2.8060 2.8060 2.8672 2.8672 2.8720 2.8720 2.9549 2.9549 3.0061 3.0061 3.0261 3.0261 3.1239 3.1239 3.1923 3.1923 6.5259 6.5259 6.6069 6.6069 7.6799 7.6799 7.7203 7.7203 9.4023 9.4023 9.4329 9.4329 11.3702 11.3702 12.7513 12.7513 12.9664 12.9664 12.9844 12.9844 13.1979 13.1979 13.2142 13.2142 k = 0.0000 0.0000 0.2402 ( 3779 PWs) bands (ev): -31.3189 -31.3189 -12.6017 -12.6017 -12.2346 -12.2346 -12.2154 -12.2154 0.5289 0.5289 1.7351 1.7351 1.7876 1.7876 1.9515 1.9515 1.9593 1.9593 1.9750 1.9750 1.9866 1.9866 2.0202 2.0202 2.0716 2.0716 2.2460 2.2460 2.2471 2.2471 2.4900 2.4900 2.5015 2.5015 2.5179 2.5179 2.6398 2.6398 2.6539 2.6539 2.7356 2.7356 2.7409 2.7409 2.8152 2.8152 2.8677 2.8677 2.8728 2.8728 2.9661 2.9661 3.0112 3.0112 3.0142 3.0142 3.1129 3.1129 3.1893 3.1893 6.4267 6.4267 6.5587 6.5587 7.7102 7.7102 7.7507 7.7507 9.4145 9.4145 9.4452 9.4452 11.4827 11.4827 12.5676 12.5676 12.8174 12.8174 12.8369 12.8369 13.1885 13.1885 13.2063 13.2063 k = 0.0000 0.0000 0.2573 ( 3767 PWs) bands (ev): -31.3188 -31.3188 -12.6020 -12.6020 -12.2345 -12.2345 -12.2163 -12.2163 0.5686 0.5686 1.7157 1.7157 1.8032 1.8032 1.9385 1.9385 1.9514 1.9514 1.9812 1.9812 1.9966 1.9966 2.0244 2.0244 2.0744 2.0744 2.2434 2.2434 2.2466 2.2466 2.4942 2.4942 2.5020 2.5020 2.5147 2.5147 2.6335 2.6335 2.6737 2.6737 2.7379 2.7379 2.7453 2.7453 2.8242 2.8242 2.8678 2.8678 2.8738 2.8738 2.9772 2.9772 3.0014 3.0014 3.0169 3.0169 3.1021 3.1021 3.1866 3.1866 6.2483 6.2483 6.5938 6.5938 7.7426 7.7426 7.7833 7.7833 9.4270 9.4270 9.4579 9.4579 11.5921 11.5921 12.3875 12.3875 12.6683 12.6683 12.6891 12.6891 13.1792 13.1792 13.1987 13.1987 k = 0.0000 0.0000 0.2745 ( 3767 PWs) bands (ev): -31.3187 -31.3187 -12.6023 -12.6023 -12.2343 -12.2343 -12.2173 -12.2173 0.6103 0.6103 1.6969 1.6969 1.8200 1.8200 1.9257 1.9257 1.9414 1.9414 1.9892 1.9892 2.0072 2.0072 2.0297 2.0297 2.0776 2.0776 2.2407 2.2407 2.2458 2.2458 2.4873 2.4873 2.5114 2.5114 2.5127 2.5127 2.6270 2.6270 2.6930 2.6930 2.7402 2.7402 2.7493 2.7493 2.8327 2.8327 2.8672 2.8672 2.8751 2.8751 2.9877 2.9877 2.9878 2.9878 3.0231 3.0231 3.0922 3.0922 3.1842 3.1842 6.0716 6.0716 6.6312 6.6312 7.7773 7.7773 7.8182 7.8182 9.4398 9.4398 9.4709 9.4709 11.6989 11.6989 12.2112 12.2112 12.5196 12.5196 12.5415 12.5415 13.1703 13.1703 13.1914 13.1914 k = 0.0000 0.0000 0.2916 ( 3773 PWs) bands (ev): -31.3187 -31.3187 -12.6026 -12.6026 -12.2342 -12.2342 -12.2183 -12.2183 0.6538 0.6538 1.6786 1.6786 1.8384 1.8384 1.9130 1.9130 1.9307 1.9307 1.9978 1.9978 2.0182 2.0182 2.0358 2.0358 2.0812 2.0812 2.2380 2.2380 2.2448 2.2448 2.4809 2.4809 2.5079 2.5079 2.5221 2.5221 2.6204 2.6204 2.7116 2.7116 2.7425 2.7425 2.7530 2.7530 2.8407 2.8407 2.8659 2.8659 2.8767 2.8767 2.9735 2.9735 2.9969 2.9969 3.0299 3.0299 3.0840 3.0840 3.1819 3.1819 5.8970 5.8970 6.6708 6.6708 7.8140 7.8140 7.8551 7.8551 9.4528 9.4528 9.4840 9.4840 11.8041 11.8041 12.0386 12.0386 12.3720 12.3720 12.3948 12.3948 13.1616 13.1616 13.1845 13.1845 k = 0.0000 0.0000 0.3088 ( 3773 PWs) bands (ev): -31.3186 -31.3186 -12.6030 -12.6030 -12.2341 -12.2341 -12.2193 -12.2193 0.6990 0.6990 1.6610 1.6610 1.8582 1.8582 1.9006 1.9006 1.9200 1.9200 2.0067 2.0067 2.0299 2.0299 2.0424 2.0424 2.0850 2.0850 2.2355 2.2355 2.2437 2.2437 2.4748 2.4748 2.5043 2.5043 2.5304 2.5304 2.6138 2.6138 2.7287 2.7287 2.7456 2.7456 2.7564 2.7564 2.8478 2.8478 2.8638 2.8638 2.8788 2.8788 2.9590 2.9590 3.0037 3.0037 3.0371 3.0371 3.0786 3.0786 3.1800 3.1800 5.7247 5.7247 6.7126 6.7126 7.8529 7.8529 7.8942 7.8942 9.4659 9.4659 9.4973 9.4973 11.8701 11.8701 11.9082 11.9082 12.2258 12.2258 12.2495 12.2495 13.1536 13.1536 13.1782 13.1782 k = 0.0000 0.0000 0.3260 ( 3773 PWs) bands (ev): -31.3186 -31.3186 -12.6033 -12.6033 -12.2339 -12.2339 -12.2204 -12.2204 0.7456 0.7456 1.6442 1.6442 1.8796 1.8796 1.8885 1.8885 1.9095 1.9095 2.0157 2.0157 2.0420 2.0420 2.0494 2.0494 2.0890 2.0890 2.2330 2.2330 2.2425 2.2425 2.4692 2.4692 2.5008 2.5008 2.5375 2.5375 2.6073 2.6073 2.7407 2.7407 2.7524 2.7524 2.7593 2.7593 2.8537 2.8537 2.8607 2.8607 2.8816 2.8816 2.9447 2.9447 3.0069 3.0069 3.0447 3.0447 3.0774 3.0774 3.1782 3.1782 5.5547 5.5547 6.7564 6.7564 7.8937 7.8937 7.9352 7.9352 9.4790 9.4790 9.5106 9.5106 11.7058 11.7058 12.0118 12.0118 12.0817 12.0817 12.1061 12.1061 13.1461 13.1461 13.1726 13.1726 k = 0.0000 0.0000 0.3431 ( 3767 PWs) bands (ev): -31.3185 -31.3185 -12.6037 -12.6037 -12.2338 -12.2338 -12.2213 -12.2213 0.7932 0.7932 1.6281 1.6281 1.8769 1.8769 1.8991 1.8991 1.9027 1.9027 2.0248 2.0248 2.0548 2.0548 2.0566 2.0566 2.0931 2.0931 2.2309 2.2309 2.2412 2.2412 2.4640 2.4640 2.4974 2.4974 2.5438 2.5438 2.6012 2.6012 2.7451 2.7451 2.7617 2.7617 2.7655 2.7655 2.8565 2.8565 2.8574 2.8574 2.8851 2.8851 2.9316 2.9316 3.0064 3.0064 3.0526 3.0526 3.0807 3.0807 3.1767 3.1767 5.3873 5.3873 6.8020 6.8020 7.9365 7.9365 7.9783 7.9783 9.4920 9.4920 9.5238 9.5238 11.5457 11.5457 11.9398 11.9398 11.9649 11.9649 12.1153 12.1153 13.1393 13.1393 13.1676 13.1676 k = 0.0000 0.0000 0.3603 ( 3749 PWs) bands (ev): -31.3184 -31.3184 -12.6040 -12.6040 -12.2336 -12.2336 -12.2223 -12.2223 0.8417 0.8417 1.6128 1.6128 1.8659 1.8659 1.8892 1.8892 1.9274 1.9274 2.0340 2.0340 2.0641 2.0641 2.0684 2.0684 2.0973 2.0973 2.2291 2.2291 2.2397 2.2397 2.4593 2.4593 2.4941 2.4941 2.5492 2.5492 2.5954 2.5954 2.7474 2.7474 2.7635 2.7635 2.7790 2.7790 2.8513 2.8513 2.8573 2.8573 2.8897 2.8897 2.9212 2.9212 3.0033 3.0033 3.0608 3.0608 3.0875 3.0875 3.1753 3.1753 5.2225 5.2225 6.8494 6.8494 7.9811 7.9811 8.0231 8.0231 9.5048 9.5048 9.5368 9.5368 11.3903 11.3903 11.8008 11.8008 11.8263 11.8263 12.2193 12.2193 13.1332 13.1332 13.1633 13.1633 k = 0.0000 0.0000 0.3774 ( 3749 PWs) bands (ev): -31.3183 -31.3183 -12.6043 -12.6043 -12.2334 -12.2334 -12.2232 -12.2232 0.8904 0.8904 1.5982 1.5982 1.8553 1.8553 1.8796 1.8796 1.9539 1.9539 2.0428 2.0428 2.0715 2.0715 2.0825 2.0825 2.1015 2.1015 2.2277 2.2277 2.2381 2.2381 2.4550 2.4550 2.4911 2.4911 2.5537 2.5537 2.5903 2.5903 2.7489 2.7489 2.7642 2.7642 2.7910 2.7910 2.8450 2.8450 2.8516 2.8516 2.8953 2.8953 2.9155 2.9155 2.9991 2.9991 3.0691 3.0691 3.0963 3.0963 3.1741 3.1741 5.0605 5.0605 6.8983 6.8983 8.0274 8.0274 8.0697 8.0697 9.5173 9.5173 9.5495 9.5495 11.2396 11.2396 11.6648 11.6648 11.6908 11.6908 12.3239 12.3239 13.1278 13.1278 13.1597 13.1597 k = 0.0000 0.0000 0.3946 ( 3767 PWs) bands (ev): -31.3183 -31.3183 -12.6047 -12.6047 -12.2333 -12.2333 -12.2242 -12.2242 0.9391 0.9391 1.5843 1.5843 1.8451 1.8451 1.8704 1.8704 1.9819 1.9819 2.0514 2.0514 2.0789 2.0789 2.0976 2.0976 2.1056 2.1056 2.2266 2.2266 2.2363 2.2363 2.4511 2.4511 2.4884 2.4884 2.5575 2.5575 2.5859 2.5859 2.7501 2.7501 2.7636 2.7636 2.8011 2.8011 2.8380 2.8380 2.8403 2.8403 2.9020 2.9020 2.9146 2.9146 2.9949 2.9949 3.0775 3.0775 3.1060 3.1060 3.1730 3.1730 4.9013 4.9013 6.9484 6.9484 8.0752 8.0752 8.1178 8.1178 9.5294 9.5294 9.5618 9.5618 11.0940 11.0940 11.5324 11.5324 11.5587 11.5587 12.4295 12.4295 13.1231 13.1231 13.1569 13.1569 k = 0.0000 0.0000 0.4117 ( 3755 PWs) bands (ev): -31.3182 -31.3182 -12.6050 -12.6050 -12.2332 -12.2332 -12.2251 -12.2251 0.9873 0.9873 1.5716 1.5716 1.8357 1.8357 1.8618 1.8618 2.0109 2.0109 2.0597 2.0597 2.0863 2.0863 2.1098 2.1098 2.1144 2.1144 2.2261 2.2261 2.2345 2.2345 2.4478 2.4478 2.4863 2.4863 2.5606 2.5606 2.5827 2.5827 2.7511 2.7511 2.7613 2.7613 2.8094 2.8094 2.8253 2.8253 2.8309 2.8309 2.9098 2.9098 2.9167 2.9167 2.9913 2.9913 3.0858 3.0858 3.1161 3.1161 3.1720 3.1720 4.7452 4.7452 6.9996 6.9996 8.1242 8.1242 8.1672 8.1672 9.5410 9.5410 9.5736 9.5736 10.9538 10.9538 11.4039 11.4039 11.4305 11.4305 12.5363 12.5363 13.1193 13.1193 13.1548 13.1548 k = 0.0000 0.0000 0.4289 ( 3767 PWs) bands (ev): -31.3182 -31.3182 -12.6053 -12.6053 -12.2331 -12.2331 -12.2260 -12.2260 1.0343 1.0343 1.5595 1.5595 1.8269 1.8269 1.8536 1.8536 2.0399 2.0399 2.0674 2.0674 2.0934 2.0934 2.1138 2.1138 2.1340 2.1340 2.2261 2.2261 2.2326 2.2326 2.4449 2.4449 2.4848 2.4848 2.5632 2.5632 2.5808 2.5808 2.7518 2.7518 2.7566 2.7566 2.8080 2.8080 2.8159 2.8159 2.8243 2.8243 2.9184 2.9184 2.9204 2.9204 2.9884 2.9884 3.0939 3.0939 3.1261 3.1261 3.1712 3.1712 4.5923 4.5923 7.0514 7.0514 8.1743 8.1743 8.2176 8.2176 9.5522 9.5522 9.5849 9.5849 10.8194 10.8194 11.2797 11.2797 11.3064 11.3064 12.6443 12.6443 13.1161 13.1161 13.1534 13.1534 k = 0.0000 0.0000 0.4460 ( 3768 PWs) bands (ev): -31.3181 -31.3181 -12.6056 -12.6056 -12.2329 -12.2329 -12.2268 -12.2268 1.0798 1.0798 1.5485 1.5485 1.8186 1.8186 1.8461 1.8461 2.0669 2.0669 2.0746 2.0746 2.1003 2.1003 2.1176 2.1176 2.1581 2.1581 2.2265 2.2265 2.2307 2.2307 2.4425 2.4425 2.4841 2.4841 2.5654 2.5654 2.5807 2.5807 2.7492 2.7492 2.7524 2.7524 2.7895 2.7895 2.8191 2.8191 2.8209 2.8209 2.9245 2.9245 2.9275 2.9275 2.9861 2.9861 3.1017 3.1017 3.1358 3.1358 3.1704 3.1704 4.4425 4.4425 7.1034 7.1034 8.2250 8.2250 8.2687 8.2687 9.5627 9.5627 9.5956 9.5956 10.6913 10.6913 11.1603 11.1603 11.1872 11.1872 12.7534 12.7534 13.1138 13.1138 13.1526 13.1526 k = 0.0000 0.0000 0.4632 ( 3768 PWs) bands (ev): -31.3181 -31.3181 -12.6059 -12.6059 -12.2328 -12.2328 -12.2276 -12.2276 1.1231 1.1231 1.5384 1.5384 1.8111 1.8111 1.8391 1.8391 2.0811 2.0811 2.0904 2.0904 2.1071 2.1071 2.1213 2.1213 2.1883 2.1883 2.2273 2.2273 2.2287 2.2287 2.4408 2.4408 2.4843 2.4843 2.5672 2.5672 2.5828 2.5828 2.7391 2.7391 2.7528 2.7528 2.7706 2.7706 2.8154 2.8154 2.8248 2.8248 2.9289 2.9289 2.9366 2.9366 2.9846 2.9846 3.1092 3.1092 3.1450 3.1450 3.1697 3.1697 4.2962 4.2962 7.1552 7.1552 8.2760 8.2760 8.3201 8.3201 9.5725 9.5725 9.6056 9.6056 10.5700 10.5700 11.0464 11.0464 11.0732 11.0732 12.8637 12.8637 13.1123 13.1123 13.1524 13.1524 k = 0.0000 0.0000 0.4804 ( 3762 PWs) bands (ev): -31.3180 -31.3180 -12.6062 -12.6062 -12.2327 -12.2327 -12.2283 -12.2283 1.1638 1.1638 1.5292 1.5292 1.8042 1.8042 1.8328 1.8328 2.0868 2.0868 2.1095 2.1095 2.1137 2.1137 2.1248 2.1248 2.2213 2.2213 2.2283 2.2283 2.2303 2.2303 2.4400 2.4400 2.4857 2.4857 2.5686 2.5686 2.5878 2.5878 2.7266 2.7266 2.7513 2.7513 2.7530 2.7530 2.8130 2.8130 2.8278 2.8278 2.9331 2.9331 2.9456 2.9456 2.9837 2.9837 3.1163 3.1163 3.1536 3.1536 3.1691 3.1691 4.1534 4.1534 7.2060 7.2060 8.3267 8.3267 8.3712 8.3712 9.5816 9.5816 9.6148 9.6148 10.4561 10.4561 10.9384 10.9384 10.9651 10.9651 12.9745 12.9745 13.1120 13.1120 13.1527 13.1527 k = 0.0000 0.0000 0.4975 ( 3768 PWs) bands (ev): -31.3180 -31.3180 -12.6064 -12.6064 -12.2326 -12.2326 -12.2290 -12.2290 1.2012 1.2012 1.5209 1.5209 1.7981 1.7981 1.8271 1.8271 2.0916 2.0916 2.1202 2.1202 2.1249 2.1249 2.1280 2.1280 2.2232 2.2232 2.2294 2.2294 2.2670 2.2670 2.4404 2.4404 2.4882 2.4882 2.5697 2.5697 2.5967 2.5967 2.7125 2.7125 2.7323 2.7323 2.7532 2.7532 2.8116 2.8116 2.8300 2.8300 2.9371 2.9371 2.9540 2.9540 2.9832 2.9832 3.1228 3.1228 3.1614 3.1614 3.1686 3.1686 4.0142 4.0142 7.2553 7.2553 8.3765 8.3765 8.4214 8.4214 9.5899 9.5899 9.6232 9.6232 10.3504 10.3504 10.8371 10.8371 10.8637 10.8637 13.0789 13.0789 13.1198 13.1198 13.1533 13.1533 k = 0.0000 0.0000 0.5147 ( 3774 PWs) bands (ev): -31.3180 -31.3180 -12.6067 -12.6067 -12.2325 -12.2325 -12.2296 -12.2296 1.2350 1.2350 1.5136 1.5136 1.7926 1.7926 1.8220 1.8220 2.0954 2.0954 2.1264 2.1264 2.1309 2.1309 2.1377 2.1377 2.2210 2.2210 2.2305 2.2305 2.3089 2.3089 2.4429 2.4429 2.4920 2.4920 2.5705 2.5705 2.6106 2.6106 2.6973 2.6973 2.7139 2.7139 2.7533 2.7533 2.8109 2.8109 2.8317 2.8317 2.9409 2.9409 2.9618 2.9618 2.9830 2.9830 3.1287 3.1287 3.1680 3.1680 3.1685 3.1685 3.8789 3.8789 7.3023 7.3023 8.4245 8.4245 8.4699 8.4699 9.5973 9.5973 9.6308 9.6308 10.2535 10.2535 10.7434 10.7434 10.7698 10.7698 13.1049 13.1049 13.1542 13.1542 13.2070 13.2070 k = 0.0000 0.0000 0.5318 ( 3786 PWs) bands (ev): -31.3179 -31.3179 -12.6069 -12.6069 -12.2324 -12.2324 -12.2301 -12.2301 1.2649 1.2649 1.5072 1.5072 1.7878 1.7878 1.8175 1.8175 2.0984 2.0984 2.1323 2.1323 2.1334 2.1334 2.1484 2.1484 2.2185 2.2185 2.2313 2.2313 2.3473 2.3473 2.4491 2.4491 2.4971 2.4971 2.5711 2.5711 2.6302 2.6302 2.6815 2.6815 2.6983 2.6983 2.7532 2.7532 2.8105 2.8105 2.8330 2.8330 2.9443 2.9443 2.9688 2.9688 2.9829 2.9829 3.1339 3.1339 3.1675 3.1675 3.1747 3.1747 3.7478 3.7478 7.3460 7.3460 8.4699 8.4699 8.5158 8.5158 9.6039 9.6039 9.6374 9.6374 10.1665 10.1665 10.6583 10.6583 10.6844 10.6844 13.1065 13.1065 13.1553 13.1553 13.3194 13.3194 k = 0.0000 0.0000 0.5490 ( 3774 PWs) bands (ev): -31.3179 -31.3179 -12.6071 -12.6071 -12.2323 -12.2323 -12.2305 -12.2305 1.2905 1.2905 1.5019 1.5019 1.7838 1.7838 1.8138 1.8138 2.1008 2.1008 2.1357 2.1357 2.1379 2.1379 2.1575 2.1575 2.2160 2.2160 2.2320 2.2320 2.3762 2.3762 2.4617 2.4617 2.5035 2.5035 2.5716 2.5716 2.6477 2.6477 2.6658 2.6658 2.6962 2.6962 2.7532 2.7532 2.8104 2.8104 2.8341 2.8341 2.9475 2.9475 2.9749 2.9749 2.9831 2.9831 3.1385 3.1385 3.1670 3.1670 3.1801 3.1801 3.6211 3.6211 7.3856 7.3856 8.5116 8.5116 8.5579 8.5579 9.6095 9.6095 9.6431 9.6431 10.0904 10.0904 10.5830 10.5830 10.6088 10.6088 13.1070 13.1070 13.1565 13.1565 13.4328 13.4328 k = 0.0000 0.0000 0.5661 ( 3774 PWs) bands (ev): -31.3179 -31.3179 -12.6072 -12.6072 -12.2323 -12.2323 -12.2309 -12.2309 1.3117 1.3117 1.4975 1.4975 1.7805 1.7805 1.8107 1.8107 2.1025 2.1025 2.1376 2.1376 2.1428 2.1428 2.1652 2.1652 2.2135 2.2135 2.2323 2.2323 2.3930 2.3930 2.4803 2.4803 2.5108 2.5108 2.5719 2.5719 2.6432 2.6432 2.6505 2.6505 2.7298 2.7298 2.7532 2.7532 2.8105 2.8105 2.8348 2.8348 2.9507 2.9507 2.9800 2.9800 2.9832 2.9832 3.1423 3.1423 3.1662 3.1662 3.1845 3.1845 3.4992 3.4992 7.4198 7.4198 8.5483 8.5483 8.5951 8.5951 9.6141 9.6141 9.6478 9.6478 10.0261 10.0261 10.5187 10.5187 10.5441 10.5441 13.1075 13.1075 13.1576 13.1576 13.5452 13.5452 k = 0.0000 0.0000 0.5833 ( 3774 PWs) bands (ev): -31.3178 -31.3178 -12.6073 -12.6073 -12.2322 -12.2322 -12.2312 -12.2312 1.3282 1.3282 1.4940 1.4940 1.7779 1.7779 1.8083 1.8083 2.1037 2.1037 2.1391 2.1391 2.1470 2.1470 2.1716 2.1716 2.2109 2.2109 2.2324 2.2324 2.4011 2.4011 2.5008 2.5008 2.5187 2.5187 2.5722 2.5722 2.6288 2.6288 2.6362 2.6362 2.7532 2.7532 2.7865 2.7865 2.8105 2.8105 2.8354 2.8354 2.9545 2.9545 2.9834 2.9834 2.9840 2.9840 3.1453 3.1453 3.1649 3.1649 3.1880 3.1880 3.3832 3.3832 7.4478 7.4478 8.5787 8.5787 8.6259 8.6259 9.6178 9.6178 9.6515 9.6515 9.9748 9.9748 10.4668 10.4668 10.4919 10.4919 13.1078 13.1078 13.1586 13.1586 13.6546 13.6546 k = 0.0000 0.0000 0.6005 ( 3780 PWs) bands (ev): -31.3178 -31.3178 -12.6074 -12.6074 -12.2322 -12.2322 -12.2314 -12.2314 1.3402 1.3402 1.4915 1.4915 1.7760 1.7760 1.8065 1.8065 2.1045 2.1045 2.1401 2.1401 2.1501 2.1501 2.1766 2.1766 2.2086 2.2086 2.2323 2.2323 2.4050 2.4050 2.5191 2.5191 2.5263 2.5263 2.5723 2.5723 2.6137 2.6137 2.6239 2.6239 2.7531 2.7531 2.8106 2.8106 2.8358 2.8358 2.8529 2.8529 2.9617 2.9617 2.9836 2.9836 2.9869 2.9869 3.1475 3.1475 3.1608 3.1608 3.1905 3.1905 3.2758 3.2758 7.4686 7.4686 8.6016 8.6016 8.6491 8.6491 9.6204 9.6204 9.6541 9.6541 9.9373 9.9373 10.4285 10.4285 10.4533 10.4533 13.1081 13.1081 13.1593 13.1593 13.7568 13.7568 k = 0.0000 0.0000 0.6176 ( 3774 PWs) bands (ev): -31.3178 -31.3178 -12.6074 -12.6074 -12.2322 -12.2322 -12.2315 -12.2315 1.3473 1.3473 1.4900 1.4900 1.7750 1.7750 1.8055 1.8055 2.1050 2.1050 2.1408 2.1408 2.1520 2.1520 2.1799 2.1799 2.2068 2.2068 2.2322 2.2322 2.4068 2.4068 2.5323 2.5323 2.5333 2.5333 2.5724 2.5724 2.6011 2.6011 2.6152 2.6152 2.7531 2.7531 2.8107 2.8107 2.8360 2.8360 2.9086 2.9086 2.9838 2.9838 2.9885 2.9885 2.9886 2.9886 3.1349 3.1349 3.1488 3.1488 3.1920 3.1920 3.1978 3.1978 7.4815 7.4815 8.6159 8.6159 8.6636 8.6636 9.6220 9.6220 9.6557 9.6557 9.9145 9.9145 10.4050 10.4050 10.4297 10.4297 13.1083 13.1083 13.1598 13.1598 13.8408 13.8408 k = 0.0000 0.0000 0.6348 ( 3774 PWs) bands (ev): -31.3178 -31.3178 -12.6074 -12.6074 -12.2322 -12.2322 -12.2316 -12.2316 1.3497 1.3497 1.4895 1.4895 1.7746 1.7746 1.8052 1.8052 2.1051 2.1051 2.1410 2.1410 2.1527 2.1527 2.1811 2.1811 2.2061 2.2061 2.2322 2.2322 2.4073 2.4073 2.5346 2.5346 2.5392 2.5392 2.5724 2.5724 2.5956 2.5956 2.6119 2.6119 2.7531 2.7531 2.8107 2.8107 2.8361 2.8361 2.9244 2.9244 2.9838 2.9838 2.9892 2.9892 3.0533 3.0533 3.0620 3.0620 3.1492 3.1492 3.1830 3.1830 3.1925 3.1925 7.4858 7.4858 8.6207 8.6207 8.6685 8.6685 9.6225 9.6225 9.6562 9.6562 9.9068 9.9068 10.3971 10.3971 10.4217 10.4217 13.1083 13.1083 13.1599 13.1599 13.8776 13.8776 k = 0.0000 0.0000 0.6348 ( 3774 PWs) bands (ev): -31.3178 -31.3178 -12.6074 -12.6074 -12.2322 -12.2322 -12.2316 -12.2316 1.3497 1.3497 1.4895 1.4895 1.7746 1.7746 1.8052 1.8052 2.1051 2.1051 2.1410 2.1410 2.1527 2.1527 2.1811 2.1811 2.2061 2.2061 2.2322 2.2322 2.4073 2.4073 2.5346 2.5346 2.5392 2.5392 2.5724 2.5724 2.5956 2.5956 2.6119 2.6119 2.7531 2.7531 2.8107 2.8107 2.8361 2.8361 2.9244 2.9244 2.9838 2.9838 2.9892 2.9892 3.0533 3.0533 3.0620 3.0620 3.1492 3.1492 3.1830 3.1830 3.1925 3.1925 7.4858 7.4858 8.6207 8.6207 8.6685 8.6685 9.6225 9.6225 9.6562 9.6562 9.9068 9.9068 10.3971 10.3971 10.4217 10.4217 13.1083 13.1083 13.1599 13.1599 13.8776 13.8776 k = 0.0147 0.0085 0.6348 ( 3782 PWs) bands (ev): -31.3178 -31.3178 -12.6075 -12.6075 -12.2322 -12.2322 -12.2316 -12.2316 1.3505 1.3505 1.4898 1.4898 1.7747 1.7747 1.8054 1.8054 2.1051 2.1051 2.1410 2.1410 2.1526 2.1526 2.1810 2.1810 2.2062 2.2062 2.2322 2.2322 2.4075 2.4075 2.5346 2.5346 2.5389 2.5389 2.5725 2.5725 2.5953 2.5953 2.6119 2.6119 2.7530 2.7530 2.8102 2.8102 2.8358 2.8358 2.9232 2.9232 2.9796 2.9796 2.9890 2.9890 3.0498 3.0498 3.0739 3.0739 3.1489 3.1489 3.1828 3.1828 3.1923 3.1923 7.4789 7.4789 8.6125 8.6125 8.6622 8.6622 9.6120 9.6120 9.6456 9.6456 9.9232 9.9232 10.4128 10.4128 10.4389 10.4389 13.1026 13.1026 13.1545 13.1545 13.8766 13.8766 k = 0.0294 0.0170 0.6348 ( 3782 PWs) bands (ev): -31.3178 -31.3178 -12.6075 -12.6075 -12.2322 -12.2322 -12.2316 -12.2316 1.3529 1.3529 1.4906 1.4906 1.7753 1.7753 1.8059 1.8059 2.1050 2.1050 2.1411 2.1411 2.1523 2.1523 2.1806 2.1806 2.2064 2.2064 2.2322 2.2322 2.4081 2.4081 2.5344 2.5344 2.5380 2.5380 2.5727 2.5727 2.5943 2.5943 2.6118 2.6118 2.7527 2.7527 2.8086 2.8086 2.8352 2.8352 2.9192 2.9192 2.9708 2.9708 2.9885 2.9885 3.0492 3.0492 3.0960 3.0960 3.1483 3.1483 3.1821 3.1821 3.1917 3.1917 7.4584 7.4584 8.5796 8.5796 8.6539 8.6539 9.5826 9.5826 9.6167 9.6167 9.9702 9.9702 10.4523 10.4523 10.4929 10.4929 13.0829 13.0829 13.1411 13.1411 13.8740 13.8740 k = 0.0441 0.0255 0.6348 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6075 -12.6075 -12.2323 -12.2323 -12.2316 -12.2316 1.3570 1.3570 1.4919 1.4919 1.7761 1.7761 1.8069 1.8069 2.1049 2.1049 2.1413 2.1413 2.1517 2.1517 2.1799 2.1799 2.2067 2.2067 2.2322 2.2322 2.4091 2.4091 2.5340 2.5340 2.5365 2.5365 2.5730 2.5730 2.5930 2.5930 2.6115 2.6115 2.7523 2.7523 2.8060 2.8060 2.8340 2.8340 2.9121 2.9121 2.9627 2.9627 2.9876 2.9876 3.0516 3.0516 3.1230 3.1230 3.1471 3.1471 3.1811 3.1811 3.1911 3.1911 7.4248 7.4248 8.5193 8.5193 8.6512 8.6512 9.5404 9.5404 9.5753 9.5753 10.0427 10.0427 10.5081 10.5081 10.5788 10.5788 13.0457 13.0457 13.1254 13.1254 13.8696 13.8696 k = 0.0588 0.0340 0.6348 ( 3798 PWs) bands (ev): -31.3178 -31.3178 -12.6076 -12.6076 -12.2324 -12.2324 -12.2316 -12.2316 1.3626 1.3626 1.4938 1.4938 1.7773 1.7773 1.8082 1.8082 2.1047 2.1047 2.1415 2.1415 2.1511 2.1511 2.1791 2.1791 2.2070 2.2070 2.2323 2.2323 2.4105 2.4105 2.5325 2.5325 2.5353 2.5353 2.5735 2.5735 2.5917 2.5917 2.6109 2.6109 2.7516 2.7516 2.8023 2.8023 2.8324 2.8324 2.9023 2.9023 2.9575 2.9575 2.9864 2.9864 3.0561 3.0561 3.1454 3.1454 3.1519 3.1519 3.1805 3.1805 3.1912 3.1912 7.3787 7.3787 8.4402 8.4402 8.6517 8.6517 9.4918 9.4918 9.5265 9.5265 10.1344 10.1344 10.5776 10.5776 10.6871 10.6871 12.9921 12.9921 13.1089 13.1089 13.8636 13.8636 k = 0.0735 0.0425 0.6348 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6076 -12.6076 -12.2324 -12.2324 -12.2316 -12.2316 1.3698 1.3698 1.4962 1.4962 1.7788 1.7788 1.8099 1.8099 2.1045 2.1045 2.1417 2.1417 2.1503 2.1503 2.1782 2.1782 2.2071 2.2071 2.2324 2.2324 2.4122 2.4122 2.5292 2.5292 2.5350 2.5350 2.5742 2.5742 2.5908 2.5908 2.6098 2.6098 2.7508 2.7508 2.7978 2.7978 2.8304 2.8304 2.8914 2.8914 2.9545 2.9545 2.9850 2.9850 3.0620 3.0620 3.1432 3.1432 3.1709 3.1709 3.1837 3.1837 3.2000 3.2000 7.3210 7.3210 8.3487 8.3487 8.6536 8.6536 9.4415 9.4415 9.4738 9.4738 10.2403 10.2403 10.6578 10.6578 10.8115 10.8115 12.9263 12.9263 13.0905 13.0905 13.8564 13.8564 k = 0.0882 0.0509 0.6348 ( 3810 PWs) bands (ev): -31.3178 -31.3178 -12.6077 -12.6077 -12.2326 -12.2326 -12.2316 -12.2316 1.3785 1.3785 1.4991 1.4991 1.7806 1.7806 1.8120 1.8120 2.1041 2.1041 2.1417 2.1417 2.1495 2.1495 2.1773 2.1773 2.2069 2.2069 2.2326 2.2326 2.4140 2.4140 2.5247 2.5247 2.5350 2.5350 2.5749 2.5749 2.5903 2.5903 2.6083 2.6083 2.7496 2.7496 2.7924 2.7924 2.8278 2.8278 2.8809 2.8809 2.9526 2.9526 2.9831 2.9831 3.0687 3.0687 3.1404 3.1404 3.1716 3.1716 3.1859 3.1859 3.2305 3.2305 7.2529 7.2529 8.2491 8.2491 8.6565 8.6565 9.3911 9.3911 9.4208 9.4208 10.3560 10.3560 10.7465 10.7465 10.9477 10.9477 12.8519 12.8519 13.0699 13.0699 13.8479 13.8479 k = 0.1029 0.0594 0.6348 ( 3810 PWs) bands (ev): -31.3178 -31.3178 -12.6077 -12.6077 -12.2327 -12.2327 -12.2316 -12.2316 1.3888 1.3888 1.5026 1.5026 1.7828 1.7828 1.8144 1.8144 2.1036 2.1036 2.1414 2.1414 2.1488 2.1488 2.1764 2.1764 2.2064 2.2064 2.2328 2.2328 2.4161 2.4161 2.5194 2.5194 2.5354 2.5354 2.5759 2.5759 2.5904 2.5904 2.6064 2.6064 2.7482 2.7482 2.7865 2.7865 2.8247 2.8247 2.8714 2.8714 2.9514 2.9514 2.9810 2.9810 3.0755 3.0755 3.1374 3.1374 3.1693 3.1693 3.1871 3.1871 3.2679 3.2679 7.1756 7.1756 8.1443 8.1443 8.6601 8.6601 9.3395 9.3395 9.3717 9.3717 10.4784 10.4784 10.8420 10.8420 11.0930 11.0930 12.7726 12.7726 13.0469 13.0469 13.8386 13.8386 k = 0.1176 0.0679 0.6348 ( 3804 PWs) bands (ev): -31.3178 -31.3178 -12.6077 -12.6077 -12.2328 -12.2328 -12.2316 -12.2316 1.4004 1.4004 1.5066 1.5066 1.7852 1.7852 1.8173 1.8173 2.1030 2.1030 2.1407 2.1407 2.1486 2.1486 2.1755 2.1755 2.2055 2.2055 2.2332 2.2332 2.4180 2.4180 2.5137 2.5137 2.5359 2.5359 2.5770 2.5770 2.5910 2.5910 2.6044 2.6044 2.7463 2.7463 2.7806 2.7806 2.8208 2.8208 2.8632 2.8632 2.9503 2.9503 2.9786 2.9786 3.0813 3.0813 3.1342 3.1342 3.1668 3.1668 3.1896 3.1896 3.3081 3.3081 7.0904 7.0904 8.0360 8.0360 8.6644 8.6644 9.2854 9.2854 9.3294 9.3294 10.6046 10.6046 10.9433 10.9433 11.2456 11.2456 12.6913 12.6913 13.0216 13.0216 13.8287 13.8287 k = 0.1324 0.0764 0.6348 ( 3804 PWs) bands (ev): -31.3178 -31.3178 -12.6078 -12.6078 -12.2329 -12.2329 -12.2316 -12.2316 1.4134 1.4134 1.5111 1.5111 1.7880 1.7880 1.8205 1.8205 2.1022 2.1022 2.1394 2.1394 2.1486 2.1486 2.1748 2.1748 2.2039 2.2039 2.2335 2.2335 2.4197 2.4197 2.5080 2.5080 2.5367 2.5367 2.5781 2.5781 2.5921 2.5921 2.6022 2.6022 2.7438 2.7438 2.7750 2.7750 2.8161 2.8161 2.8563 2.8563 2.9491 2.9491 2.9759 2.9759 3.0845 3.0845 3.1311 3.1311 3.1645 3.1645 3.1944 3.1944 3.3506 3.3506 6.9987 6.9987 7.9257 7.9257 8.6692 8.6692 9.2301 9.2301 9.2933 9.2933 10.7322 10.7322 11.0493 11.0493 11.4041 11.4041 12.6114 12.6114 12.9944 12.9944 13.8184 13.8184 k = 0.1471 0.0849 0.6348 ( 3802 PWs) bands (ev): -31.3178 -31.3178 -12.6078 -12.6078 -12.2330 -12.2330 -12.2316 -12.2316 1.4277 1.4277 1.5161 1.5161 1.7910 1.7910 1.8241 1.8241 2.1012 2.1012 2.1375 2.1375 2.1491 2.1491 2.1743 2.1743 2.2017 2.2017 2.2338 2.2338 2.4207 2.4207 2.5029 2.5029 2.5378 2.5378 2.5794 2.5794 2.5932 2.5932 2.6004 2.6004 2.7406 2.7406 2.7701 2.7701 2.8105 2.8105 2.8507 2.8507 2.9478 2.9478 2.9730 2.9730 3.0841 3.0841 3.1279 3.1279 3.1628 3.1628 3.2026 3.2026 3.3951 3.3951 6.9015 6.9015 7.8142 7.8142 8.6745 8.6745 9.1751 9.1751 9.2624 9.2624 10.8583 10.8583 11.1596 11.1596 11.5671 11.5671 12.5363 12.5363 12.9654 12.9654 13.8083 13.8083 k = 0.1618 0.0934 0.6348 ( 3806 PWs) bands (ev): -31.3178 -31.3178 -12.6079 -12.6079 -12.2332 -12.2332 -12.2316 -12.2316 1.4431 1.4431 1.5216 1.5216 1.7944 1.7944 1.8280 1.8280 2.1000 2.1000 2.1351 2.1351 2.1497 2.1497 2.1741 2.1741 2.1988 2.1988 2.2338 2.2338 2.4209 2.4209 2.4989 2.4989 2.5390 2.5390 2.5806 2.5806 2.5937 2.5937 2.5997 2.5997 2.7367 2.7367 2.7661 2.7661 2.8041 2.8041 2.8461 2.8461 2.9462 2.9462 2.9699 2.9699 3.0800 3.0800 3.1239 3.1239 3.1618 3.1618 3.2148 3.2148 3.4415 3.4415 6.8001 6.8001 7.7020 7.7020 8.6803 8.6803 9.1213 9.1213 9.2356 9.2356 10.9794 10.9794 11.2737 11.2737 11.7339 11.7339 12.4699 12.4699 12.9350 12.9350 13.7986 13.7986 k = 0.1765 0.1019 0.6348 ( 3812 PWs) bands (ev): -31.3178 -31.3178 -12.6080 -12.6080 -12.2333 -12.2333 -12.2316 -12.2316 1.4595 1.4595 1.5276 1.5276 1.7981 1.7981 1.8322 1.8322 2.0985 2.0985 2.1324 2.1324 2.1503 2.1503 2.1741 2.1741 2.1952 2.1952 2.2337 2.2337 2.4199 2.4199 2.4966 2.4966 2.5405 2.5405 2.5817 2.5817 2.5930 2.5930 2.6008 2.6008 2.7320 2.7320 2.7630 2.7630 2.7969 2.7969 2.8423 2.8423 2.9444 2.9444 2.9665 2.9665 3.0730 3.0730 3.1189 3.1189 3.1612 3.1612 3.2310 3.2310 3.4899 3.4899 6.6955 6.6955 7.5896 7.5896 8.6865 8.6865 9.0690 9.0690 9.2124 9.2124 11.0908 11.0908 11.3913 11.3913 11.9034 11.9034 12.4177 12.4177 12.9035 12.9035 13.7898 13.7898 k = 0.1912 0.1104 0.6348 ( 3816 PWs) bands (ev): -31.3178 -31.3178 -12.6081 -12.6081 -12.2335 -12.2335 -12.2315 -12.2315 1.4769 1.4769 1.5341 1.5341 1.8020 1.8020 1.8367 1.8367 2.0967 2.0967 2.1294 2.1294 2.1511 2.1511 2.1744 2.1744 2.1909 2.1909 2.2334 2.2334 2.4180 2.4180 2.4962 2.4962 2.5423 2.5423 2.5826 2.5826 2.5920 2.5920 2.6032 2.6032 2.7268 2.7268 2.7607 2.7607 2.7891 2.7891 2.8391 2.8391 2.9422 2.9422 2.9631 2.9631 3.0640 3.0640 3.1127 3.1127 3.1609 3.1609 3.2506 3.2506 3.5402 3.5402 6.5886 6.5886 7.4774 7.4774 8.6930 8.6930 9.0187 9.0187 9.1922 9.1922 11.1863 11.1863 11.5119 11.5119 12.0748 12.0748 12.3861 12.3861 12.8712 12.8712 13.7825 13.7825 k = 0.2059 0.1189 0.6348 ( 3820 PWs) bands (ev): -31.3178 -31.3178 -12.6081 -12.6081 -12.2337 -12.2337 -12.2315 -12.2315 1.4951 1.4951 1.5411 1.5411 1.8063 1.8063 1.8415 1.8415 2.0946 2.0946 2.1260 2.1260 2.1518 2.1518 2.1749 2.1749 2.1859 2.1859 2.2328 2.2328 2.4153 2.4153 2.4975 2.4975 2.5442 2.5442 2.5829 2.5829 2.5915 2.5915 2.6061 2.6061 2.7212 2.7212 2.7590 2.7590 2.7809 2.7809 2.8363 2.8363 2.9398 2.9398 2.9596 2.9596 3.0534 3.0534 3.1055 3.1055 3.1605 3.1605 3.2731 3.2731 3.5924 3.5924 6.4802 6.4802 7.3656 7.3656 8.6999 8.6999 8.9705 8.9705 9.1747 9.1747 11.2589 11.2589 11.6355 11.6355 12.2468 12.2468 12.3826 12.3826 12.8384 12.8384 13.7775 13.7775 k = 0.2206 0.1274 0.6348 ( 3812 PWs) bands (ev): -31.3178 -31.3178 -12.6082 -12.6082 -12.2338 -12.2338 -12.2315 -12.2315 1.5138 1.5138 1.5486 1.5486 1.8109 1.8109 1.8466 1.8466 2.0922 2.0922 2.1224 2.1224 2.1525 2.1525 2.1747 2.1747 2.1810 2.1810 2.2320 2.2320 2.4125 2.4125 2.5003 2.5003 2.5462 2.5462 2.5826 2.5826 2.5921 2.5921 2.6092 2.6092 2.7153 2.7153 2.7577 2.7577 2.7728 2.7728 2.8339 2.8339 2.9369 2.9369 2.9560 2.9560 3.0418 3.0418 3.0977 3.0977 3.1602 3.1602 3.2981 3.2981 3.6464 3.6464 6.3712 6.3712 7.2543 7.2543 8.7070 8.7070 8.9244 8.9244 9.1594 9.1594 11.3032 11.3032 11.7616 11.7616 12.4114 12.4114 12.4197 12.4197 12.8054 12.8054 13.7758 13.7758 k = 0.2353 0.1358 0.6348 ( 3804 PWs) bands (ev): -31.3178 -31.3178 -12.6082 -12.6082 -12.2340 -12.2340 -12.2315 -12.2315 1.5327 1.5327 1.5569 1.5569 1.8159 1.8159 1.8519 1.8519 2.0895 2.0895 2.1186 2.1186 2.1532 2.1532 2.1704 2.1704 2.1798 2.1798 2.2310 2.2310 2.4098 2.4098 2.5041 2.5041 2.5483 2.5483 2.5821 2.5821 2.5932 2.5932 2.6126 2.6126 2.7091 2.7091 2.7562 2.7562 2.7654 2.7654 2.8317 2.8317 2.9335 2.9335 2.9525 2.9525 3.0293 3.0293 3.0892 3.0892 3.1598 3.1598 3.3251 3.3251 3.7023 3.7023 6.2620 6.2620 7.1438 7.1438 8.7143 8.7143 8.8807 8.8807 9.1460 9.1460 11.3181 11.3181 11.8903 11.8903 12.4778 12.4778 12.5876 12.5876 12.7725 12.7725 13.7790 13.7790 k = 0.2500 0.1443 0.6348 ( 3806 PWs) bands (ev): -31.3178 -31.3178 -12.6083 -12.6083 -12.2342 -12.2342 -12.2315 -12.2315 1.5510 1.5510 1.5664 1.5664 1.8213 1.8213 1.8575 1.8575 2.0864 2.0864 2.1146 2.1146 2.1538 2.1538 2.1629 2.1629 2.1811 2.1811 2.2298 2.2298 2.4078 2.4078 2.5084 2.5084 2.5504 2.5504 2.5817 2.5817 2.5946 2.5946 2.6159 2.6159 2.7025 2.7025 2.7522 2.7522 2.7612 2.7612 2.8297 2.8297 2.9296 2.9296 2.9489 2.9489 3.0161 3.0161 3.0803 3.0803 3.1595 3.1595 3.3540 3.3540 3.7600 3.7600 6.1532 6.1532 7.0341 7.0341 8.7218 8.7218 8.8393 8.8393 9.1343 9.1343 11.3078 11.3078 12.0211 12.0211 12.5737 12.5737 12.7368 12.7368 12.7548 12.7548 13.7896 13.7896 k = 0.2647 0.1528 0.6348 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6084 -12.6084 -12.2343 -12.2343 -12.2314 -12.2314 1.5664 1.5664 1.5793 1.5793 1.8270 1.8270 1.8635 1.8635 2.0830 2.0830 2.1105 2.1105 2.1529 2.1529 2.1558 2.1558 2.1832 2.1832 2.2286 2.2286 2.4066 2.4066 2.5129 2.5129 2.5524 2.5524 2.5818 2.5818 2.5961 2.5961 2.6193 2.6193 2.6957 2.6957 2.7455 2.7455 2.7606 2.7606 2.8279 2.8279 2.9252 2.9252 2.9454 2.9454 3.0025 3.0025 3.0710 3.0710 3.1591 3.1591 3.3846 3.3846 3.8194 3.8194 6.0455 6.0455 6.9253 6.9253 8.7292 8.7292 8.8004 8.8004 9.1240 9.1240 11.2793 11.2793 12.1538 12.1538 12.6918 12.6918 12.7091 12.7091 12.9075 12.9075 13.8113 13.8113 k = 0.2794 0.1613 0.6348 ( 3790 PWs) bands (ev): -31.3178 -31.3178 -12.6084 -12.6084 -12.2345 -12.2345 -12.2314 -12.2314 1.5777 1.5777 1.5963 1.5963 1.8329 1.8329 1.8697 1.8697 2.0792 2.0792 2.1063 2.1063 2.1441 2.1441 2.1556 2.1556 2.1856 2.1856 2.2274 2.2274 2.4064 2.4064 2.5172 2.5172 2.5542 2.5542 2.5823 2.5823 2.5976 2.5976 2.6226 2.6226 2.6886 2.6886 2.7387 2.7387 2.7614 2.7614 2.8262 2.8262 2.9202 2.9202 2.9419 2.9419 2.9886 2.9886 3.0616 3.0616 3.1587 3.1587 3.4168 3.4168 3.8806 3.8806 5.9392 5.9392 6.8177 6.8177 8.7362 8.7362 8.7643 8.7643 9.1150 9.1150 11.2390 11.2390 12.2883 12.2883 12.6753 12.6753 12.8313 12.8313 13.0480 13.0480 13.8496 13.8496 k = 0.2941 0.1698 0.6348 ( 3798 PWs) bands (ev): -31.3178 -31.3178 -12.6085 -12.6085 -12.2347 -12.2347 -12.2314 -12.2314 1.5875 1.5875 1.6146 1.6146 1.8391 1.8391 1.8764 1.8764 2.0748 2.0748 2.1020 2.1020 2.1340 2.1340 2.1562 2.1562 2.1880 2.1880 2.2264 2.2264 2.4071 2.4071 2.5211 2.5211 2.5557 2.5557 2.5833 2.5833 2.5987 2.5987 2.6257 2.6257 2.6815 2.6815 2.7325 2.7325 2.7630 2.7630 2.8245 2.8245 2.9145 2.9145 2.9382 2.9382 2.9745 2.9745 3.0520 3.0520 3.1583 3.1583 3.4504 3.4504 3.9433 3.9433 5.8348 5.8348 6.7113 6.7113 8.7275 8.7275 8.7463 8.7463 9.1070 9.1070 11.1922 11.1922 12.4240 12.4240 12.6449 12.6449 12.9804 12.9804 13.1669 13.1669 13.9116 13.9116 k = 0.3088 0.1783 0.6348 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6086 -12.6086 -12.2348 -12.2348 -12.2314 -12.2314 1.5970 1.5970 1.6328 1.6328 1.8453 1.8453 1.8836 1.8836 2.0699 2.0699 2.0979 2.0979 2.1238 2.1238 2.1569 2.1569 2.1907 2.1907 2.2255 2.2255 2.4089 2.4089 2.5243 2.5243 2.5569 2.5569 2.5844 2.5844 2.5996 2.5996 2.6287 2.6287 2.6750 2.6750 2.7274 2.7274 2.7653 2.7653 2.8230 2.8230 2.9081 2.9081 2.9343 2.9343 2.9606 2.9606 3.0425 3.0425 3.1579 3.1579 3.4852 3.4852 4.0075 4.0075 5.7327 5.7327 6.6063 6.6063 8.6967 8.6967 8.7527 8.7527 9.1001 9.1001 11.1424 11.1424 12.5608 12.5608 12.6156 12.6156 13.1377 13.1377 13.2585 13.2585 14.0027 14.0027 k = 0.3235 0.1868 0.6348 ( 3790 PWs) bands (ev): -31.3177 -31.3177 -12.6086 -12.6086 -12.2350 -12.2350 -12.2313 -12.2313 1.6065 1.6065 1.6503 1.6503 1.8515 1.8515 1.8915 1.8915 2.0642 2.0642 2.0939 2.0939 2.1140 2.1140 2.1575 2.1575 2.1934 2.1934 2.2249 2.2249 2.4114 2.4114 2.5268 2.5268 2.5577 2.5577 2.5846 2.5846 2.6006 2.6006 2.6314 2.6314 2.6696 2.6696 2.7235 2.7235 2.7682 2.7682 2.8217 2.8217 2.9010 2.9010 2.9299 2.9299 2.9471 2.9471 3.0333 3.0333 3.1575 3.1575 3.5212 3.5212 4.0731 4.0731 5.6333 5.6333 6.5029 6.5029 8.6675 8.6675 8.7597 8.7597 9.0939 9.0939 11.0920 11.0920 12.5876 12.5876 12.6982 12.6982 13.2999 13.2999 13.3228 13.3228 14.1230 14.1230 k = 0.3382 0.1953 0.6348 ( 3794 PWs) bands (ev): -31.3177 -31.3177 -12.6087 -12.6087 -12.2351 -12.2351 -12.2313 -12.2313 1.6159 1.6159 1.6667 1.6667 1.8574 1.8574 1.9001 1.9001 2.0575 2.0575 2.0900 2.0900 2.1049 2.1049 2.1581 2.1581 2.1958 2.1958 2.2246 2.2246 2.4147 2.4147 2.5286 2.5286 2.5580 2.5580 2.5825 2.5825 2.6022 2.6022 2.6338 2.6338 2.6662 2.6662 2.7208 2.7208 2.7717 2.7717 2.8203 2.8203 2.8929 2.8929 2.9248 2.9248 2.9344 2.9344 3.0245 3.0245 3.1572 3.1572 3.5582 3.5582 4.1397 4.1397 5.5371 5.5371 6.4013 6.4013 8.6405 8.6405 8.7667 8.7667 9.0885 9.0885 11.0426 11.0426 12.5611 12.5611 12.8355 12.8355 13.3635 13.3635 13.4661 13.4661 14.2666 14.2666 k = 0.3529 0.2038 0.6348 ( 3794 PWs) bands (ev): -31.3177 -31.3177 -12.6088 -12.6088 -12.2352 -12.2352 -12.2313 -12.2313 1.6252 1.6252 1.6818 1.6818 1.8629 1.8629 1.9094 1.9094 2.0500 2.0500 2.0863 2.0863 2.0971 2.0971 2.1587 2.1587 2.1981 2.1981 2.2246 2.2246 2.4187 2.4187 2.5298 2.5298 2.5578 2.5578 2.5776 2.5776 2.6048 2.6048 2.6353 2.6353 2.6656 2.6656 2.7195 2.7195 2.7757 2.7757 2.8191 2.8191 2.8839 2.8839 2.9178 2.9178 2.9239 2.9239 3.0163 3.0163 3.1569 3.1569 3.5958 3.5958 4.2072 4.2072 5.4445 5.4445 6.3018 6.3018 8.6159 8.6159 8.7733 8.7733 9.0838 9.0838 10.9955 10.9955 12.5363 12.5363 12.9723 12.9723 13.3894 13.3894 13.6325 13.6325 14.2926 14.2926 k = 0.3676 0.2123 0.6348 ( 3792 PWs) bands (ev): -31.3177 -31.3177 -12.6088 -12.6088 -12.2354 -12.2354 -12.2313 -12.2313 1.6344 1.6344 1.6956 1.6956 1.8679 1.8679 1.9190 1.9190 2.0417 2.0417 2.0826 2.0826 2.0911 2.0911 2.1591 2.1591 2.2001 2.2001 2.2251 2.2251 2.4233 2.4233 2.5304 2.5304 2.5569 2.5569 2.5702 2.5702 2.6078 2.6078 2.6358 2.6358 2.6679 2.6679 2.7196 2.7196 2.7802 2.7802 2.8179 2.8179 2.8739 2.8739 2.9080 2.9080 2.9164 2.9164 3.0088 3.0088 3.1566 3.1566 3.6339 3.6339 4.2752 4.2752 5.3561 5.3561 6.2048 6.2048 8.5936 8.5936 8.7795 8.7795 9.0797 9.0797 10.9513 10.9513 12.5134 12.5134 13.1077 13.1077 13.4052 13.4052 13.7978 13.7978 14.2961 14.2961 k = 0.3824 0.2208 0.6348 ( 3786 PWs) bands (ev): -31.3177 -31.3177 -12.6088 -12.6088 -12.2355 -12.2355 -12.2313 -12.2313 1.6433 1.6433 1.7079 1.7079 1.8724 1.8724 1.9288 1.9288 2.0331 2.0331 2.0787 2.0787 2.0871 2.0871 2.1596 2.1596 2.2018 2.2018 2.2259 2.2259 2.4284 2.4284 2.5306 2.5306 2.5548 2.5548 2.5621 2.5621 2.6111 2.6111 2.6355 2.6355 2.6727 2.6727 2.7211 2.7211 2.7851 2.7851 2.8168 2.8168 2.8632 2.8632 2.8978 2.8978 2.9096 2.9096 3.0023 3.0023 3.1563 3.1563 3.6720 3.6720 4.3432 4.3432 5.2724 5.2724 6.1108 6.1108 8.5737 8.5737 8.7854 8.7854 9.0762 9.0762 10.9109 10.9109 12.4924 12.4924 13.2406 13.2406 13.4148 13.4148 13.9600 13.9600 14.2993 14.2993 k = 0.3971 0.2292 0.6348 ( 3778 PWs) bands (ev): -31.3177 -31.3177 -12.6089 -12.6089 -12.2356 -12.2356 -12.2313 -12.2313 1.6519 1.6519 1.7187 1.7187 1.8763 1.8763 1.9379 1.9379 2.0246 2.0246 2.0749 2.0749 2.0848 2.0848 2.1600 2.1600 2.2031 2.2031 2.2269 2.2269 2.4338 2.4338 2.5303 2.5303 2.5485 2.5485 2.5569 2.5569 2.6141 2.6141 2.6346 2.6346 2.6789 2.6789 2.7241 2.7241 2.7900 2.7900 2.8157 2.8157 2.8523 2.8523 2.8878 2.8878 2.9026 2.9026 2.9966 2.9966 3.1561 3.1561 3.7096 3.7096 4.4104 4.4104 5.1942 5.1942 6.0206 6.0206 8.5562 8.5562 8.7906 8.7906 9.0731 9.0731 10.8744 10.8744 12.4737 12.4737 13.3692 13.3692 13.4211 13.4211 14.1163 14.1163 14.3022 14.3022 k = 0.4118 0.2377 0.6348 ( 3786 PWs) bands (ev): -31.3177 -31.3177 -12.6089 -12.6089 -12.2357 -12.2357 -12.2313 -12.2313 1.6598 1.6598 1.7280 1.7280 1.8796 1.8796 1.9455 1.9455 2.0170 2.0170 2.0715 2.0715 2.0838 2.0838 2.1602 2.1602 2.2041 2.2041 2.2281 2.2281 2.4395 2.4395 2.5286 2.5286 2.5398 2.5398 2.5543 2.5543 2.6169 2.6169 2.6336 2.6336 2.6859 2.6859 2.7284 2.7284 2.7945 2.7945 2.8146 2.8146 2.8420 2.8420 2.8781 2.8781 2.8953 2.8953 2.9919 2.9919 3.1559 3.1559 3.7459 3.7459 4.4761 4.4761 5.1223 5.1223 5.9350 5.9350 8.5411 8.5411 8.7954 8.7954 9.0706 9.0706 10.8423 10.8423 12.4571 12.4571 13.4222 13.4222 13.4951 13.4951 14.2633 14.2633 14.3056 14.3056 k = 0.4265 0.2462 0.6348 ( 3790 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2358 -12.2358 -12.2313 -12.2313 1.6670 1.6670 1.7359 1.7359 1.8823 1.8823 1.9511 1.9511 2.0111 2.0111 2.0688 2.0688 2.0838 2.0838 2.1603 2.1603 2.2049 2.2049 2.2293 2.2293 2.4453 2.4453 2.5229 2.5229 2.5346 2.5346 2.5520 2.5520 2.6193 2.6193 2.6325 2.6325 2.6932 2.6932 2.7339 2.7339 2.7978 2.7978 2.8134 2.8134 2.8336 2.8336 2.8687 2.8687 2.8878 2.8878 2.9881 2.9881 3.1557 3.1557 3.7801 3.7801 4.5387 4.5387 5.0578 5.0578 5.8554 5.8554 8.5283 8.5283 8.7994 8.7994 9.0684 9.0684 10.8149 10.8149 12.4429 12.4429 13.4242 13.4242 13.6108 13.6108 14.3063 14.3063 14.4004 14.4004 k = 0.4412 0.2547 0.6348 ( 3786 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2358 -12.2358 -12.2313 -12.2313 1.6732 1.6732 1.7425 1.7425 1.8846 1.8846 1.9540 1.9540 2.0073 2.0073 2.0667 2.0667 2.0846 2.0846 2.1604 2.1604 2.2056 2.2056 2.2304 2.2304 2.4513 2.4513 2.5138 2.5138 2.5331 2.5331 2.5498 2.5498 2.6215 2.6215 2.6314 2.6314 2.7005 2.7005 2.7403 2.7403 2.7984 2.7984 2.8120 2.8120 2.8290 2.8290 2.8597 2.8597 2.8804 2.8804 2.9852 2.9852 3.1556 3.1556 3.8110 3.8110 4.5966 4.5966 5.0019 5.0019 5.7836 5.7836 8.5178 8.5178 8.8029 8.8029 9.0667 9.0667 10.7922 10.7922 12.4312 12.4312 13.4249 13.4249 13.7161 13.7161 14.3083 14.3083 14.5196 14.5196 k = 0.4559 0.2632 0.6348 ( 3786 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2359 -12.2359 -12.2313 -12.2313 1.6784 1.6784 1.7476 1.7476 1.8863 1.8863 1.9546 1.9546 2.0055 2.0055 2.0651 2.0651 2.0860 2.0860 2.1603 2.1603 2.2060 2.2060 2.2314 2.2314 2.4572 2.4572 2.5045 2.5045 2.5326 2.5326 2.5477 2.5477 2.6233 2.6233 2.6304 2.6304 2.7073 2.7073 2.7468 2.7468 2.7956 2.7956 2.8100 2.8100 2.8295 2.8295 2.8515 2.8515 2.8731 2.8731 2.9830 2.9830 3.1554 3.1554 3.8374 3.8374 4.6471 4.6471 4.9561 4.9561 5.7222 5.7222 8.5097 8.5097 8.8056 8.8056 9.0654 9.0654 10.7744 10.7744 12.4220 12.4220 13.4251 13.4251 13.8066 13.8066 14.3098 14.3098 14.6185 14.6185 k = 0.4706 0.2717 0.6348 ( 3786 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2359 -12.2359 -12.2312 -12.2312 1.6821 1.6821 1.7513 1.7513 1.8876 1.8876 1.9539 1.9539 2.0049 2.0049 2.0640 2.0640 2.0875 2.0875 2.1603 2.1603 2.2064 2.2064 2.2320 2.2320 2.4631 2.4631 2.4960 2.4960 2.5323 2.5323 2.5459 2.5459 2.6247 2.6247 2.6294 2.6294 2.7132 2.7132 2.7523 2.7523 2.7922 2.7922 2.8073 2.8073 2.8329 2.8329 2.8448 2.8448 2.8663 2.8663 2.9815 2.9815 3.1554 3.1554 3.8576 3.8576 4.6872 4.6872 4.9220 4.9220 5.6743 5.6743 8.5039 8.5039 8.8075 8.8075 9.0645 9.0645 10.7617 10.7617 12.4154 12.4154 13.4251 13.4251 13.8774 13.8774 14.3109 14.3109 14.6926 14.6926 k = 0.4853 0.2802 0.6348 ( 3786 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2360 -12.2360 -12.2312 -12.2312 1.6845 1.6845 1.7536 1.7536 1.8883 1.8883 1.9530 1.9530 2.0049 2.0049 2.0634 2.0634 2.0886 2.0886 2.1602 2.1602 2.2067 2.2067 2.2324 2.2324 2.4684 2.4684 2.4890 2.4890 2.5322 2.5322 2.5448 2.5448 2.6259 2.6259 2.6286 2.6286 2.7175 2.7175 2.7556 2.7556 2.7906 2.7906 2.8044 2.8044 2.8370 2.8370 2.8405 2.8405 2.8608 2.8608 2.9806 2.9806 3.1553 3.1553 3.8705 3.8705 4.7132 4.7132 4.9008 4.9008 5.6435 5.6435 8.5004 8.5004 8.8087 8.8087 9.0639 9.0639 10.7540 10.7540 12.4114 12.4114 13.4250 13.4250 13.9229 13.9229 14.3116 14.3116 14.7386 14.7386 k = 0.5000 0.2887 0.6348 ( 3784 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2360 -12.2360 -12.2312 -12.2312 1.6853 1.6853 1.7543 1.7543 1.8886 1.8886 1.9526 1.9526 2.0050 2.0050 2.0632 2.0632 2.0891 2.0891 2.1602 2.1602 2.2067 2.2067 2.2326 2.2326 2.4712 2.4712 2.4856 2.4856 2.5322 2.5322 2.5444 2.5444 2.6265 2.6265 2.6281 2.6281 2.7191 2.7191 2.7566 2.7566 2.7906 2.7906 2.8029 2.8029 2.8388 2.8388 2.8393 2.8393 2.8583 2.8583 2.9803 2.9803 3.1553 3.1553 3.8749 3.8749 4.7223 4.7223 4.8937 4.8937 5.6329 5.6329 8.4993 8.4993 8.8091 8.8091 9.0638 9.0638 10.7514 10.7514 12.4101 12.4101 13.4250 13.4250 13.9387 13.9387 14.3118 14.3118 14.7541 14.7541 k = 0.5000 0.2887 0.6348 ( 3784 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2360 -12.2360 -12.2312 -12.2312 1.6853 1.6853 1.7543 1.7543 1.8886 1.8886 1.9526 1.9526 2.0050 2.0050 2.0632 2.0632 2.0891 2.0891 2.1602 2.1602 2.2067 2.2067 2.2326 2.2326 2.4712 2.4712 2.4856 2.4856 2.5322 2.5322 2.5444 2.5444 2.6265 2.6265 2.6281 2.6281 2.7191 2.7191 2.7566 2.7566 2.7906 2.7906 2.8029 2.8029 2.8388 2.8388 2.8393 2.8393 2.8583 2.8583 2.9803 2.9803 3.1553 3.1553 3.8749 3.8749 4.7223 4.7223 4.8937 4.8937 5.6329 5.6329 8.4993 8.4993 8.8091 8.8091 9.0638 9.0638 10.7514 10.7514 12.4101 12.4101 13.4250 13.4250 13.9387 13.9387 14.3118 14.3118 14.7541 14.7541 k = 0.4917 0.3031 0.6348 ( 3792 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2360 -12.2360 -12.2312 -12.2312 1.6856 1.6856 1.7550 1.7550 1.8887 1.8887 1.9523 1.9523 2.0049 2.0049 2.0632 2.0632 2.0891 2.0891 2.1599 2.1599 2.2056 2.2056 2.2335 2.2335 2.4655 2.4655 2.4901 2.4901 2.5315 2.5315 2.5451 2.5451 2.6255 2.6255 2.6299 2.6299 2.7187 2.7187 2.7567 2.7567 2.7886 2.7886 2.8052 2.8052 2.8387 2.8387 2.8395 2.8395 2.8583 2.8583 2.9800 2.9800 3.1548 3.1548 3.8761 3.8761 4.7239 4.7239 4.8926 4.8926 5.6329 5.6329 8.4729 8.4729 8.7999 8.7999 9.0943 9.0943 10.7625 10.7625 12.4090 12.4090 13.4166 13.4166 13.9382 13.9382 14.3118 14.3118 14.7553 14.7553 k = 0.4833 0.3175 0.6348 ( 3798 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2360 -12.2360 -12.2313 -12.2313 1.6867 1.6867 1.7571 1.7571 1.8889 1.8889 1.9512 1.9512 2.0043 2.0043 2.0632 2.0632 2.0894 2.0894 2.1591 2.1591 2.2029 2.2029 2.2360 2.2360 2.4552 2.4552 2.4968 2.4968 2.5301 2.5301 2.5469 2.5469 2.6246 2.6246 2.6330 2.6330 2.7177 2.7177 2.7570 2.7570 2.7848 2.7848 2.8101 2.8101 2.8389 2.8389 2.8401 2.8401 2.8585 2.8585 2.9792 2.9792 3.1532 3.1532 3.8799 3.8799 4.7285 4.7285 4.8893 4.8893 5.6328 5.6328 8.4066 8.4066 8.7731 8.7731 9.1732 9.1732 10.7952 10.7952 12.4057 12.4057 13.3919 13.3919 13.9370 13.9370 14.3118 14.3118 14.7587 14.7587 k = 0.4750 0.3320 0.6348 ( 3778 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2360 -12.2360 -12.2312 -12.2312 1.6886 1.6886 1.7608 1.7608 1.8894 1.8894 1.9494 1.9494 2.0036 2.0036 2.0634 2.0634 2.0898 2.0898 2.1578 2.1578 2.1994 2.1994 2.2395 2.2395 2.4436 2.4436 2.5016 2.5016 2.5293 2.5293 2.5496 2.5496 2.6244 2.6244 2.6369 2.6369 2.7163 2.7163 2.7570 2.7570 2.7813 2.7813 2.8159 2.8159 2.8393 2.8393 2.8410 2.8410 2.8589 2.8589 2.9780 2.9780 3.1506 3.1506 3.8863 3.8863 4.7362 4.7362 4.8838 4.8838 5.6327 5.6327 8.3204 8.3204 8.7307 8.7307 9.2804 9.2804 10.8473 10.8473 12.4004 12.4004 13.3518 13.3518 13.9350 13.9350 14.3119 14.3119 14.7647 14.7647 k = 0.4667 0.3464 0.6348 ( 3778 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2360 -12.2360 -12.2313 -12.2313 1.6912 1.6912 1.7657 1.7657 1.8901 1.8901 1.9469 1.9469 2.0026 2.0026 2.0634 2.0634 2.0903 2.0903 2.1557 2.1557 2.1956 2.1956 2.2432 2.2432 2.4313 2.4313 2.5030 2.5030 2.5298 2.5298 2.5531 2.5531 2.6248 2.6248 2.6413 2.6413 2.7146 2.7146 2.7561 2.7561 2.7787 2.7787 2.8219 2.8219 2.8397 2.8397 2.8421 2.8421 2.8597 2.8597 2.9762 2.9762 3.1471 3.1471 3.8951 3.8951 4.7469 4.7469 4.8760 4.8760 5.6322 5.6322 8.2270 8.2270 8.6755 8.6755 9.4033 9.4033 10.9158 10.9158 12.3929 12.3929 13.2976 13.2976 13.9323 13.9323 14.3119 14.3119 14.7730 14.7730 k = 0.4583 0.3608 0.6348 ( 3782 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2360 -12.2360 -12.2313 -12.2313 1.6944 1.6944 1.7720 1.7720 1.8909 1.8909 1.9437 1.9437 2.0014 2.0014 2.0635 2.0635 2.0910 2.0910 2.1528 2.1528 2.1920 2.1920 2.2469 2.2469 2.4184 2.4184 2.5015 2.5015 2.5314 2.5314 2.5575 2.5575 2.6257 2.6257 2.6461 2.6461 2.7127 2.7127 2.7540 2.7540 2.7774 2.7774 2.8280 2.8280 2.8402 2.8402 2.8435 2.8435 2.8609 2.8609 2.9740 2.9740 3.1425 3.1425 3.9065 3.9065 4.7606 4.7606 4.8659 4.8659 5.6314 5.6314 8.1324 8.1324 8.6106 8.6106 9.5358 9.5358 10.9975 10.9975 12.3837 12.3837 13.2312 13.2312 13.9289 13.9289 14.3119 14.3119 14.7841 14.7841 k = 0.4500 0.3753 0.6348 ( 3794 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2360 -12.2360 -12.2314 -12.2314 1.6983 1.6983 1.7796 1.7796 1.8919 1.8919 1.9398 1.9398 2.0000 2.0000 2.0635 2.0635 2.0918 2.0918 2.1491 2.1491 2.1888 2.1888 2.2505 2.2505 2.4051 2.4051 2.4982 2.4982 2.5329 2.5329 2.5628 2.5628 2.6270 2.6270 2.6510 2.6510 2.7109 2.7109 2.7507 2.7507 2.7771 2.7771 2.8333 2.8333 2.8412 2.8412 2.8452 2.8452 2.8627 2.8627 2.9714 2.9714 3.1368 3.1368 3.9204 3.9204 4.7772 4.7772 4.8534 4.8534 5.6297 5.6297 8.0398 8.0398 8.5391 8.5391 9.6747 9.6747 11.0893 11.0893 12.3727 12.3727 13.1543 13.1543 13.9250 13.9250 14.3118 14.3118 14.7979 14.7979 k = 0.4417 0.3897 0.6348 ( 3794 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2360 -12.2360 -12.2314 -12.2314 1.7029 1.7029 1.7885 1.7885 1.8931 1.8931 1.9353 1.9353 1.9984 1.9984 2.0634 2.0634 2.0927 2.0927 2.1447 2.1447 2.1863 2.1863 2.2539 2.2539 2.3915 2.3915 2.4943 2.4943 2.5338 2.5338 2.5687 2.5687 2.6288 2.6288 2.6561 2.6561 2.7092 2.7092 2.7467 2.7467 2.7775 2.7775 2.8358 2.8358 2.8445 2.8445 2.8473 2.8473 2.8654 2.8654 2.9687 2.9687 3.1303 3.1303 3.9368 3.9368 4.7962 4.7962 4.8387 4.8387 5.6270 5.6270 7.9510 7.9510 8.4636 8.4636 9.8179 9.8179 11.1881 11.1881 12.3602 12.3602 13.0686 13.0686 13.9208 13.9208 14.3117 14.3117 14.8150 14.8150 k = 0.4333 0.4041 0.6348 ( 3786 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2360 -12.2360 -12.2314 -12.2314 1.7081 1.7081 1.7985 1.7985 1.8945 1.8945 1.9301 1.9301 1.9967 1.9967 2.0632 2.0632 2.0935 2.0935 2.1398 2.1398 2.1843 2.1843 2.2571 2.2571 2.3775 2.3775 2.4902 2.4902 2.5342 2.5342 2.5748 2.5748 2.6310 2.6310 2.6611 2.6611 2.7078 2.7078 2.7424 2.7424 2.7782 2.7782 2.8354 2.8354 2.8480 2.8480 2.8521 2.8521 2.8687 2.8687 2.9659 2.9659 3.1228 3.1228 3.9557 3.9557 4.8115 4.8115 4.8280 4.8280 5.6229 5.6229 7.8672 7.8672 8.3866 8.3866 9.9644 9.9644 11.2914 11.2914 12.3465 12.3465 12.9757 12.9757 13.9163 13.9163 14.3116 14.3116 14.8356 14.8356 k = 0.4250 0.4186 0.6348 ( 3786 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2359 -12.2359 -12.2314 -12.2314 1.7139 1.7139 1.8095 1.8095 1.8959 1.8959 1.9244 1.9244 1.9949 1.9949 2.0630 2.0630 2.0939 2.0939 2.1348 2.1348 2.1828 2.1828 2.2600 2.2600 2.3634 2.3634 2.4862 2.4862 2.5342 2.5342 2.5807 2.5807 2.6334 2.6334 2.6659 2.6659 2.7066 2.7066 2.7380 2.7380 2.7789 2.7789 2.8338 2.8338 2.8501 2.8501 2.8590 2.8590 2.8727 2.8727 2.9632 2.9632 3.1143 3.1143 3.9771 3.9771 4.7965 4.7965 4.8475 4.8475 5.6169 5.6169 7.7891 7.7891 8.3099 8.3099 10.1132 10.1132 11.3966 11.3966 12.3317 12.3317 12.8771 12.8771 13.9117 13.9117 14.3113 14.3113 14.8600 14.8600 k = 0.4167 0.4330 0.6348 ( 3782 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2359 -12.2359 -12.2315 -12.2315 1.7204 1.7204 1.8213 1.8213 1.8975 1.8975 1.9182 1.9182 1.9930 1.9930 2.0626 2.0626 2.0938 2.0938 2.1303 2.1303 2.1818 2.1818 2.2625 2.2625 2.3492 2.3492 2.4824 2.4824 2.5338 2.5338 2.5863 2.5863 2.6361 2.6361 2.6705 2.6705 2.7057 2.7057 2.7336 2.7336 2.7796 2.7796 2.8317 2.8317 2.8521 2.8521 2.8662 2.8662 2.8773 2.8773 2.9607 2.9607 3.1050 3.1050 4.0011 4.0011 4.7732 4.7732 4.8752 4.8752 5.6085 5.6085 7.7172 7.7172 8.2353 8.2353 10.2634 10.2634 11.5016 11.5016 12.3161 12.3161 12.7739 12.7739 13.9072 13.9072 14.3111 14.3111 14.8888 14.8888 k = 0.4083 0.4474 0.6348 ( 3784 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2359 -12.2359 -12.2315 -12.2315 1.7274 1.7274 1.8335 1.8335 1.8992 1.8992 1.9119 1.9119 1.9910 1.9910 2.0622 2.0622 2.0923 2.0923 2.1271 2.1271 2.1810 2.1810 2.2644 2.2644 2.3352 2.3352 2.4790 2.4790 2.5331 2.5331 2.5913 2.5913 2.6390 2.6390 2.6747 2.6747 2.7050 2.7050 2.7295 2.7295 2.7803 2.7803 2.8290 2.8290 2.8540 2.8540 2.8727 2.8727 2.8828 2.8828 2.9586 2.9586 3.0948 3.0948 4.0275 4.0275 4.7464 4.7464 4.9061 4.9061 5.5972 5.5972 7.6520 7.6520 8.1643 8.1643 10.4142 10.4142 11.6044 11.6044 12.3000 12.3000 12.6672 12.6672 13.9030 13.9030 14.3106 14.3106 14.9224 14.9224 k = 0.4000 0.4619 0.6348 ( 3792 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2360 -12.2360 -12.2315 -12.2315 1.7349 1.7349 1.8455 1.8455 1.9009 1.9009 1.9060 1.9060 1.9889 1.9889 2.0616 2.0616 2.0890 2.0890 2.1258 2.1258 2.1804 2.1804 2.2655 2.2655 2.3216 2.3216 2.4760 2.4760 2.5323 2.5323 2.5958 2.5958 2.6419 2.6419 2.6785 2.6785 2.7046 2.7046 2.7256 2.7256 2.7809 2.7809 2.8261 2.8261 2.8559 2.8559 2.8778 2.8778 2.8897 2.8897 2.9572 2.9572 3.0838 3.0838 4.0565 4.0565 4.7164 4.7164 4.9398 4.9398 5.5826 5.5826 7.5936 7.5936 8.0982 8.0982 10.5650 10.5650 11.7030 11.7030 12.2834 12.2834 12.5580 12.5580 13.8992 13.8992 14.3101 14.3101 14.9613 14.9613 k = 0.3917 0.4763 0.6348 ( 3796 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2360 -12.2360 -12.2316 -12.2316 1.7430 1.7430 1.8556 1.8556 1.9010 1.9010 1.9034 1.9034 1.9867 1.9867 2.0610 2.0610 2.0842 2.0842 2.1264 2.1264 2.1801 2.1801 2.2654 2.2654 2.3090 2.3090 2.4736 2.4736 2.5314 2.5314 2.5997 2.5997 2.6448 2.6448 2.6818 2.6818 2.7042 2.7042 2.7224 2.7224 2.7815 2.7815 2.8230 2.8230 2.8578 2.8578 2.8814 2.8814 2.8978 2.8978 2.9566 2.9566 3.0720 3.0720 4.0879 4.0879 4.6833 4.6833 4.9761 4.9761 5.5641 5.5641 7.5424 7.5424 8.0380 8.0380 10.7148 10.7148 11.7955 11.7955 12.2668 12.2668 12.4468 12.4468 13.8959 13.8959 14.3096 14.3096 15.0059 15.0059 k = 0.3833 0.4907 0.6348 ( 3796 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2360 -12.2360 -12.2316 -12.2316 1.7516 1.7516 1.8608 1.8608 1.9011 1.9011 1.9054 1.9054 1.9845 1.9845 2.0605 2.0605 2.0782 2.0782 2.1286 2.1286 2.1799 2.1799 2.2632 2.2632 2.2986 2.2986 2.4716 2.4716 2.5304 2.5304 2.6031 2.6031 2.6475 2.6475 2.6845 2.6845 2.7037 2.7037 2.7200 2.7200 2.7820 2.7820 2.8199 2.8199 2.8597 2.8597 2.8836 2.8836 2.9066 2.9066 2.9571 2.9571 3.0595 3.0595 4.1219 4.1219 4.6473 4.6473 5.0151 5.0151 5.5413 5.5413 7.4984 7.4984 7.9847 7.9847 10.8630 10.8630 11.8802 11.8802 12.2502 12.2502 12.3345 12.3345 13.8934 13.8934 14.3091 14.3091 15.0560 15.0560 k = 0.3750 0.5052 0.6348 ( 3800 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2360 -12.2360 -12.2317 -12.2317 1.7607 1.7607 1.8591 1.8591 1.9048 1.9048 1.9098 1.9098 1.9822 1.9822 2.0599 2.0599 2.0719 2.0719 2.1321 2.1321 2.1797 2.1797 2.2575 2.2575 2.2917 2.2917 2.4701 2.4701 2.5294 2.5294 2.6059 2.6059 2.6500 2.6500 2.6868 2.6868 2.7028 2.7028 2.7186 2.7186 2.7825 2.7825 2.8170 2.8170 2.8616 2.8616 2.8847 2.8847 2.9158 2.9158 2.9586 2.9586 3.0463 3.0463 4.1584 4.1584 4.6083 4.6083 5.0567 5.0567 5.5138 5.5138 7.4615 7.4615 7.9389 7.9389 11.0084 11.0084 11.9555 11.9555 12.2203 12.2203 12.2353 12.2353 13.8916 13.8916 14.3085 14.3085 15.1109 15.1109 k = 0.3667 0.5196 0.6348 ( 3802 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.7704 1.7704 1.8528 1.8528 1.9073 1.9073 1.9189 1.9189 1.9801 1.9801 2.0593 2.0593 2.0655 2.0655 2.1363 2.1363 2.1797 2.1797 2.2487 2.2487 2.2882 2.2882 2.4690 2.4690 2.5285 2.5285 2.6083 2.6083 2.6522 2.6522 2.6885 2.6885 2.7015 2.7015 2.7181 2.7181 2.7828 2.7828 2.8144 2.8144 2.8635 2.8635 2.8850 2.8850 2.9252 2.9252 2.9611 2.9611 3.0327 3.0327 4.1973 4.1973 4.5667 4.5667 5.1007 5.1007 5.4813 5.4813 7.4318 7.4318 7.9012 7.9012 11.1502 11.1502 12.0200 12.0200 12.1080 12.1080 12.2188 12.2188 13.8907 13.8907 14.3080 14.3080 15.1682 15.1682 k = 0.3583 0.5340 0.6348 ( 3818 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.7804 1.7804 1.8441 1.8441 1.9088 1.9088 1.9289 1.9289 1.9782 1.9782 2.0584 2.0584 2.0602 2.0602 2.1411 2.1411 2.1796 2.1796 2.2387 2.2387 2.2868 2.2868 2.4682 2.4682 2.5277 2.5277 2.6100 2.6100 2.6540 2.6540 2.6898 2.6898 2.6999 2.6999 2.7181 2.7181 2.7829 2.7829 2.8125 2.8125 2.8651 2.8651 2.8845 2.8845 2.9347 2.9347 2.9642 2.9642 3.0188 3.0188 4.2388 4.2388 4.5227 4.5227 5.1472 5.1472 5.4437 5.4437 7.4091 7.4091 7.8720 7.8720 11.2871 11.2871 11.9943 11.9943 12.0736 12.0736 12.2040 12.2040 13.8905 13.8905 14.3075 14.3075 15.2215 15.2215 k = 0.3500 0.5485 0.6348 ( 3814 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.7909 1.7909 1.8343 1.8343 1.9101 1.9101 1.9374 1.9374 1.9769 1.9769 2.0547 2.0547 2.0588 2.0588 2.1459 2.1459 2.1797 2.1797 2.2294 2.2294 2.2864 2.2864 2.4677 2.4677 2.5271 2.5271 2.6114 2.6114 2.6553 2.6553 2.6907 2.6907 2.6987 2.6987 2.7184 2.7184 2.7829 2.7829 2.8112 2.8112 2.8666 2.8666 2.8837 2.8837 2.9443 2.9443 2.9674 2.9674 3.0052 3.0052 4.2829 4.2829 4.4764 4.4764 5.1960 5.1960 5.4009 5.4009 7.3931 7.3931 7.8513 7.8513 11.4179 11.4179 11.8819 11.8819 12.1140 12.1140 12.1905 12.1905 13.8908 13.8908 14.3072 14.3072 15.2549 15.2549 k = 0.3417 0.5629 0.6348 ( 3810 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.8017 1.8017 1.8238 1.8238 1.9109 1.9109 1.9428 1.9428 1.9763 1.9763 2.0517 2.0517 2.0585 2.0585 2.1497 2.1497 2.1798 2.1798 2.2224 2.2224 2.2863 2.2863 2.4675 2.4675 2.5267 2.5267 2.6122 2.6122 2.6562 2.6562 2.6913 2.6913 2.6978 2.6978 2.7186 2.7186 2.7827 2.7827 2.8106 2.8106 2.8677 2.8677 2.8830 2.8830 2.9538 2.9538 2.9689 2.9689 2.9938 2.9938 4.3294 4.3294 4.4283 4.4283 5.2472 5.2472 5.3532 5.3532 7.3838 7.3838 7.8391 7.8391 11.5409 11.5409 11.7705 11.7705 12.1408 12.1408 12.1794 12.1794 13.8914 13.8914 14.3071 14.3071 15.2593 15.2593 k = 0.3333 0.5774 0.6348 ( 3810 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.8125 1.8125 1.8131 1.8131 1.9112 1.9112 1.9446 1.9446 1.9763 1.9763 2.0507 2.0507 2.0585 2.0585 2.1512 2.1512 2.1799 2.1799 2.2197 2.2197 2.2862 2.2862 2.4675 2.4675 2.5266 2.5266 2.6124 2.6124 2.6564 2.6564 2.6915 2.6915 2.6976 2.6976 2.7186 2.7186 2.7826 2.7826 2.8105 2.8105 2.8680 2.8680 2.8827 2.8827 2.9621 2.9621 2.9648 2.9648 2.9893 2.9893 4.3784 4.3784 4.3787 4.3787 5.2993 5.2993 5.3023 5.3023 7.3807 7.3807 7.8351 7.8351 11.6393 11.6393 11.6762 11.6762 12.1505 12.1505 12.1749 12.1749 13.8917 13.8917 14.3070 14.3070 15.2579 15.2579 k = 0.3333 0.5774 0.6348 ( 3810 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.8125 1.8125 1.8131 1.8131 1.9112 1.9112 1.9446 1.9446 1.9763 1.9763 2.0507 2.0507 2.0585 2.0585 2.1512 2.1512 2.1799 2.1799 2.2197 2.2197 2.2862 2.2862 2.4675 2.4675 2.5266 2.5266 2.6124 2.6124 2.6564 2.6564 2.6915 2.6915 2.6976 2.6976 2.7186 2.7186 2.7826 2.7826 2.8105 2.8105 2.8680 2.8680 2.8827 2.8827 2.9621 2.9621 2.9648 2.9648 2.9893 2.9893 4.3784 4.3784 4.3787 4.3787 5.2993 5.2993 5.3023 5.3023 7.3807 7.3807 7.8351 7.8351 11.6393 11.6393 11.6762 11.6762 12.1505 12.1505 12.1749 12.1749 13.8917 13.8917 14.3070 14.3070 15.2579 15.2579 k = 0.3248 0.5625 0.6348 ( 3806 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.8012 1.8012 1.8243 1.8243 1.9109 1.9109 1.9431 1.9431 1.9760 1.9760 2.0517 2.0517 2.0586 2.0586 2.1495 2.1495 2.1798 2.1798 2.2227 2.2227 2.2863 2.2863 2.4675 2.4675 2.5267 2.5267 2.6122 2.6122 2.6562 2.6562 2.6913 2.6913 2.6978 2.6978 2.7187 2.7187 2.7827 2.7827 2.8106 2.8106 2.8676 2.8676 2.8830 2.8830 2.9513 2.9513 2.9732 2.9732 2.9920 2.9920 4.3263 4.3263 4.4316 4.4316 5.2425 5.2425 5.3580 5.3580 7.3838 7.3838 7.8391 7.8391 11.5433 11.5433 11.7675 11.7675 12.1450 12.1450 12.1754 12.1754 13.8912 13.8912 14.3071 14.3071 15.2601 15.2601 k = 0.3162 0.5477 0.6348 ( 3822 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2361 -12.2361 -12.2318 -12.2318 1.7892 1.7892 1.8358 1.8358 1.9096 1.9096 1.9392 1.9392 1.9748 1.9748 2.0543 2.0543 2.0588 2.0588 2.1452 2.1452 2.1795 2.1795 2.2309 2.2309 2.2863 2.2863 2.4676 2.4676 2.5272 2.5272 2.6113 2.6113 2.6552 2.6552 2.6909 2.6909 2.6981 2.6981 2.7191 2.7191 2.7833 2.7833 2.8104 2.8104 2.8664 2.8664 2.8838 2.8838 2.9377 2.9377 2.9828 2.9828 2.9971 2.9971 4.2730 4.2730 4.4874 4.4874 5.1801 5.1801 5.4176 5.4176 7.3929 7.3929 7.8508 7.8508 11.4326 11.4326 11.8637 11.8637 12.1358 12.1358 12.1704 12.1704 13.8891 13.8891 14.3071 14.3071 15.2636 15.2636 k = 0.3077 0.5329 0.6348 ( 3810 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.7772 1.7772 1.8469 1.8469 1.9074 1.9074 1.9341 1.9341 1.9731 1.9731 2.0576 2.0576 2.0597 2.0597 2.1398 2.1398 2.1793 2.1793 2.2426 2.2426 2.2868 2.2868 2.4677 2.4677 2.5281 2.5281 2.6100 2.6100 2.6538 2.6538 2.6902 2.6902 2.6982 2.6982 2.7205 2.7205 2.7842 2.7842 2.8098 2.8098 2.8645 2.8645 2.8847 2.8847 2.9249 2.9249 2.9922 2.9922 3.0031 3.0031 4.2191 4.2191 4.5459 4.5459 5.1143 5.1143 5.4796 5.4796 7.4077 7.4077 7.8696 7.8696 11.3230 11.3230 11.9480 11.9480 12.1263 12.1263 12.1582 12.1582 13.8850 13.8850 14.3072 14.3072 15.2637 15.2637 k = 0.2991 0.5181 0.6348 ( 3808 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.7649 1.7649 1.8568 1.8568 1.9043 1.9043 1.9282 1.9282 1.9710 1.9710 2.0596 2.0596 2.0622 2.0622 2.1346 2.1346 2.1790 2.1790 2.2552 2.2552 2.2885 2.2885 2.4679 2.4679 2.5292 2.5292 2.6082 2.6082 2.6518 2.6518 2.6893 2.6893 2.6977 2.6977 2.7234 2.7234 2.7854 2.7854 2.8085 2.8085 2.8612 2.8612 2.8852 2.8852 2.9148 2.9148 3.0015 3.0015 3.0094 3.0094 4.1649 4.1649 4.6071 4.6071 5.0455 5.0455 5.5438 5.5438 7.4278 7.4278 7.8946 7.8946 11.2150 11.2150 12.0196 12.0196 12.1157 12.1157 12.1410 12.1410 13.8784 13.8784 14.3072 14.3072 15.2598 15.2598 k = 0.2906 0.5033 0.6348 ( 3804 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2359 -12.2359 -12.2317 -12.2317 1.7526 1.7526 1.8637 1.8637 1.9014 1.9014 1.9222 1.9222 1.9693 1.9693 2.0608 2.0608 2.0654 2.0654 2.1302 2.1302 2.1787 2.1787 2.2654 2.2654 2.2939 2.2939 2.4682 2.4682 2.5307 2.5307 2.6062 2.6062 2.6493 2.6493 2.6881 2.6881 2.6967 2.6967 2.7278 2.7278 2.7867 2.7867 2.8063 2.8063 2.8558 2.8558 2.8848 2.8848 2.9091 2.9091 3.0106 3.0106 3.0159 3.0159 4.1107 4.1107 4.6711 4.6711 4.9743 4.9743 5.6103 5.6103 7.4530 7.4530 7.9252 7.9252 11.1088 11.1088 12.0768 12.0768 12.1005 12.1005 12.1252 12.1252 13.8693 13.8693 14.3070 14.3070 15.1865 15.1865 k = 0.2821 0.4885 0.6348 ( 3804 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2359 -12.2359 -12.2317 -12.2317 1.7403 1.7403 1.8646 1.8646 1.9008 1.9008 1.9168 1.9168 1.9685 1.9685 2.0621 2.0621 2.0684 2.0684 2.1272 2.1272 2.1784 2.1784 2.2700 2.2700 2.3054 2.3054 2.4687 2.4687 2.5325 2.5325 2.6039 2.6039 2.6463 2.6463 2.6867 2.6867 2.6951 2.6951 2.7336 2.7336 2.7879 2.7879 2.8028 2.8028 2.8482 2.8482 2.8846 2.8846 2.9077 2.9077 3.0194 3.0194 3.0227 3.0227 4.0568 4.0568 4.7379 4.7379 4.9012 4.9012 5.6790 5.6790 7.4829 7.4829 7.9607 7.9607 11.0047 11.0047 12.0718 12.0718 12.1156 12.1156 12.1252 12.1252 13.8580 13.8580 14.3066 14.3066 15.0447 15.0447 k = 0.2735 0.4737 0.6348 ( 3796 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2358 -12.2358 -12.2316 -12.2316 1.7280 1.7280 1.8581 1.8581 1.9022 1.9022 1.9130 1.9130 1.9693 1.9693 2.0637 2.0637 2.0711 2.0711 2.1255 2.1255 2.1781 2.1781 2.2706 2.2706 2.3206 2.3206 2.4696 2.4696 2.5346 2.5346 2.6016 2.6016 2.6429 2.6429 2.6851 2.6851 2.6932 2.6932 2.7405 2.7405 2.7888 2.7888 2.7979 2.7979 2.8400 2.8400 2.8854 2.8854 2.9090 2.9090 3.0275 3.0275 3.0300 3.0300 4.0035 4.0035 4.8071 4.8071 4.8272 4.8272 5.7499 5.7499 7.5172 7.5172 8.0001 8.0001 10.9028 10.9028 12.0408 12.0408 12.1102 12.1102 12.1575 12.1575 13.8449 13.8449 14.3059 14.3059 14.8980 14.8980 k = 0.2650 0.4589 0.6348 ( 3792 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2358 -12.2358 -12.2316 -12.2316 1.7157 1.7157 1.8465 1.8465 1.9003 1.9003 1.9131 1.9131 1.9726 1.9726 2.0657 2.0657 2.0735 2.0735 2.1249 2.1249 2.1778 2.1778 2.2695 2.2695 2.3366 2.3366 2.4710 2.4710 2.5369 2.5369 2.5993 2.5993 2.6391 2.6391 2.6832 2.6832 2.6908 2.6908 2.7482 2.7482 2.7889 2.7889 2.7914 2.7914 2.8334 2.8334 2.8873 2.8873 2.9115 2.9115 3.0346 3.0346 3.0380 3.0380 3.9509 3.9509 4.7514 4.7514 4.8800 4.8800 5.8230 5.8230 7.5557 7.5557 8.0428 8.0428 10.8031 10.8031 12.0075 12.0075 12.1065 12.1065 12.1781 12.1781 13.8305 13.8305 14.3050 14.3050 14.7482 14.7482 k = 0.2564 0.4441 0.6348 ( 3794 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2357 -12.2357 -12.2316 -12.2316 1.7034 1.7034 1.8319 1.8319 1.8954 1.8954 1.9144 1.9144 1.9787 1.9787 2.0680 2.0680 2.0758 2.0758 2.1253 2.1253 2.1774 2.1774 2.2674 2.2674 2.3519 2.3519 2.4732 2.4732 2.5395 2.5395 2.5972 2.5972 2.6351 2.6351 2.6811 2.6811 2.6879 2.6879 2.7563 2.7563 2.7827 2.7827 2.7889 2.7889 2.8296 2.8296 2.8898 2.8898 2.9149 2.9149 3.0412 3.0412 3.0463 3.0463 3.8992 3.8992 4.6757 4.6757 4.9551 4.9551 5.8983 5.8983 7.5981 7.5981 8.0880 8.0880 10.7058 10.7058 11.9740 11.9740 12.1037 12.1037 12.1874 12.1874 13.8157 13.8157 14.3037 14.3037 14.5964 14.5964 k = 0.2479 0.4293 0.6348 ( 3792 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2357 -12.2357 -12.2316 -12.2316 1.6913 1.6913 1.8153 1.8153 1.8896 1.8896 1.9143 1.9143 1.9876 1.9876 2.0707 2.0707 2.0784 2.0784 2.1264 2.1264 2.1770 2.1770 2.2649 2.2649 2.3654 2.3654 2.4764 2.4764 2.5423 2.5423 2.5954 2.5954 2.6310 2.6310 2.6787 2.6787 2.6845 2.6845 2.7632 2.7632 2.7748 2.7748 2.7879 2.7879 2.8290 2.8290 2.8929 2.8929 2.9188 2.9188 3.0476 3.0476 3.0544 3.0544 3.8487 3.8487 4.5998 4.5998 5.0330 5.0330 5.9757 5.9757 7.6443 7.6443 8.1349 8.1349 10.6111 10.6111 11.9417 11.9417 12.1016 12.1016 12.1862 12.1862 13.8010 13.8010 14.3021 14.3021 14.4435 14.4435 k = 0.2393 0.4145 0.6348 ( 3790 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2356 -12.2356 -12.2316 -12.2316 1.6793 1.6793 1.7972 1.7972 1.8834 1.8834 1.9126 1.9126 1.9983 1.9983 2.0739 2.0739 2.0811 2.0811 2.1280 2.1280 2.1766 2.1766 2.2620 2.2620 2.3766 2.3766 2.4808 2.4808 2.5453 2.5453 2.5941 2.5941 2.6268 2.6268 2.6754 2.6754 2.6809 2.6809 2.7617 2.7617 2.7737 2.7737 2.7881 2.7881 2.8311 2.8311 2.8964 2.8964 2.9231 2.9231 3.0539 3.0539 3.0624 3.0624 3.7994 3.7994 4.5242 4.5242 5.1137 5.1137 6.0553 6.0553 7.6938 7.6938 8.1828 8.1828 10.5189 10.5189 11.9118 11.9118 12.0996 12.0996 12.1753 12.1753 13.7869 13.7869 14.2904 14.2904 14.3003 14.3003 k = 0.2308 0.3997 0.6348 ( 3798 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2355 -12.2355 -12.2316 -12.2316 1.6674 1.6674 1.7780 1.7780 1.8771 1.8771 1.9096 1.9096 2.0101 2.0101 2.0777 2.0777 2.0841 2.0841 2.1298 2.1298 2.1762 2.1762 2.2588 2.2588 2.3850 2.3850 2.4862 2.4862 2.5485 2.5485 2.5933 2.5933 2.6226 2.6226 2.6706 2.6706 2.6776 2.6776 2.7548 2.7548 2.7751 2.7751 2.7915 2.7915 2.8355 2.8355 2.9000 2.9000 2.9278 2.9278 3.0600 3.0600 3.0702 3.0702 3.7515 3.7515 4.4491 4.4491 5.1971 5.1971 6.1370 6.1370 7.7467 7.7467 8.2310 8.2310 10.4295 10.4295 11.8855 11.8855 12.0971 12.0971 12.1555 12.1555 13.7740 13.7740 14.1383 14.1383 14.2980 14.2980 k = 0.2222 0.3849 0.6348 ( 3798 PWs) bands (ev): -31.3177 -31.3177 -12.6089 -12.6089 -12.2354 -12.2354 -12.2315 -12.2315 1.6558 1.6558 1.7578 1.7578 1.8708 1.8708 1.9058 1.9058 2.0221 2.0221 2.0823 2.0823 2.0873 2.0873 2.1319 2.1319 2.1757 2.1757 2.2556 2.2556 2.3909 2.3909 2.4922 2.4922 2.5520 2.5520 2.5929 2.5929 2.6186 2.6186 2.6644 2.6644 2.6751 2.6751 2.7488 2.7488 2.7738 2.7738 2.7973 2.7973 2.8422 2.8422 2.9038 2.9038 2.9329 2.9329 3.0660 3.0660 3.0778 3.0778 3.7050 3.7050 4.3748 4.3748 5.2831 5.2831 6.2207 6.2207 7.8027 7.8027 8.2788 8.2788 10.3430 10.3430 11.8637 11.8637 12.0934 12.0934 12.1277 12.1277 13.7625 13.7625 13.9881 13.9881 14.2955 14.2955 k = 0.2137 0.3701 0.6348 ( 3798 PWs) bands (ev): -31.3177 -31.3177 -12.6089 -12.6089 -12.2353 -12.2353 -12.2315 -12.2315 1.6445 1.6445 1.7369 1.7369 1.8645 1.8645 1.9014 1.9014 2.0338 2.0338 2.0877 2.0877 2.0908 2.0908 2.1341 2.1341 2.1753 2.1753 2.2523 2.2523 2.3946 2.3946 2.4981 2.4981 2.5555 2.5555 2.5927 2.5927 2.6149 2.6149 2.6575 2.6575 2.6730 2.6730 2.7444 2.7444 2.7715 2.7715 2.8031 2.8031 2.8510 2.8510 2.9076 2.9076 2.9385 2.9385 3.0718 3.0718 3.0851 3.0851 3.6600 3.6600 4.3015 4.3015 5.3718 5.3718 6.3066 6.3066 7.8615 7.8615 8.3255 8.3255 10.2594 10.2594 11.8474 11.8474 12.0874 12.0874 12.0929 12.0929 13.7528 13.7528 13.8411 13.8411 14.2927 14.2927 k = 0.2051 0.3553 0.6348 ( 3806 PWs) bands (ev): -31.3177 -31.3177 -12.6088 -12.6088 -12.2352 -12.2352 -12.2315 -12.2315 1.6333 1.6333 1.7155 1.7155 1.8583 1.8583 1.8965 1.8965 2.0445 2.0445 2.0940 2.0940 2.0947 2.0947 2.1364 2.1364 2.1749 2.1749 2.2490 2.2490 2.3968 2.3968 2.5033 2.5033 2.5587 2.5587 2.5921 2.5921 2.6116 2.6116 2.6508 2.6508 2.6715 2.6715 2.7415 2.7415 2.7691 2.7691 2.8081 2.8081 2.8612 2.8612 2.9115 2.9115 2.9446 2.9446 3.0774 3.0774 3.0923 3.0923 3.6165 3.6165 4.2294 4.2294 5.4631 5.4631 6.3945 6.3945 7.9231 7.9231 8.3705 8.3705 10.1790 10.1790 11.8373 11.8373 12.0508 12.0508 12.0786 12.0786 13.6986 13.6986 13.7452 13.7452 14.2895 14.2895 k = 0.1966 0.3405 0.6348 ( 3802 PWs) bands (ev): -31.3177 -31.3177 -12.6087 -12.6087 -12.2350 -12.2350 -12.2315 -12.2315 1.6224 1.6224 1.6936 1.6936 1.8522 1.8522 1.8914 1.8914 2.0539 2.0539 2.0982 2.0982 2.1022 2.1022 2.1387 2.1387 2.1746 2.1746 2.2459 2.2459 2.3979 2.3979 2.5075 2.5075 2.5615 2.5615 2.5902 2.5902 2.6089 2.6089 2.6452 2.6452 2.6711 2.6711 2.7401 2.7401 2.7669 2.7669 2.8124 2.8124 2.8724 2.8724 2.9153 2.9153 2.9513 2.9513 3.0829 3.0829 3.0992 3.0992 3.5747 3.5747 4.1586 4.1586 5.5568 5.5568 6.4844 6.4844 7.9874 7.9874 8.4132 8.4132 10.1017 10.1017 11.8342 11.8342 12.0033 12.0033 12.0644 12.0644 13.5631 13.5631 13.7393 13.7393 14.2529 14.2529 k = 0.1880 0.3257 0.6348 ( 3802 PWs) bands (ev): -31.3178 -31.3178 -12.6087 -12.6087 -12.2349 -12.2349 -12.2315 -12.2315 1.6118 1.6118 1.6714 1.6714 1.8462 1.8462 1.8860 1.8860 2.0620 2.0620 2.1020 2.1020 2.1111 2.1111 2.1410 2.1410 2.1743 2.1743 2.2431 2.2431 2.3985 2.3985 2.5104 2.5104 2.5636 2.5636 2.5870 2.5870 2.6063 2.6063 2.6407 2.6407 2.6723 2.6723 2.7400 2.7400 2.7650 2.7650 2.8162 2.8162 2.8839 2.8839 2.9192 2.9192 2.9589 2.9589 3.0882 3.0882 3.1058 3.1058 3.5345 3.5345 4.0893 4.0893 5.6529 5.6529 6.5763 6.5763 8.0540 8.0540 8.4531 8.4531 10.0278 10.0278 11.8384 11.8384 11.9504 11.9504 12.0431 12.0431 13.4363 13.4363 13.7354 13.7354 14.0587 14.0587 k = 0.1795 0.3109 0.6348 ( 3806 PWs) bands (ev): -31.3178 -31.3178 -12.6086 -12.6086 -12.2348 -12.2348 -12.2315 -12.2315 1.6015 1.6015 1.6491 1.6491 1.8404 1.8404 1.8805 1.8805 2.0685 2.0685 2.1058 2.1058 2.1208 2.1208 2.1434 2.1434 2.1740 2.1740 2.2405 2.2405 2.3988 2.3988 2.5120 2.5120 2.5648 2.5648 2.5829 2.5829 2.6036 2.6036 2.6371 2.6371 2.6756 2.6756 2.7412 2.7412 2.7634 2.7634 2.8194 2.8194 2.8950 2.8950 2.9231 2.9231 2.9673 2.9673 3.0932 3.0932 3.1122 3.1122 3.4959 3.4959 4.0216 4.0216 5.7512 5.7512 6.6703 6.6703 8.1230 8.1230 8.4897 8.4897 9.9574 9.9574 11.8504 11.8504 11.8929 11.8929 12.0126 12.0126 13.3210 13.3210 13.7334 13.7334 13.8573 13.8573 k = 0.1709 0.2961 0.6348 ( 3806 PWs) bands (ev): -31.3178 -31.3178 -12.6085 -12.6085 -12.2346 -12.2346 -12.2315 -12.2315 1.5914 1.5914 1.6269 1.6269 1.8348 1.8348 1.8749 1.8749 2.0740 2.0740 2.1095 2.1095 2.1303 2.1303 2.1461 2.1461 2.1738 2.1738 2.2383 2.2383 2.3994 2.3994 2.5124 2.5124 2.5645 2.5645 2.5793 2.5793 2.6007 2.6007 2.6335 2.6335 2.6807 2.6807 2.7436 2.7436 2.7621 2.7621 2.8224 2.8224 2.9053 2.9053 2.9272 2.9272 2.9768 2.9768 3.0980 3.0980 3.1184 3.1184 3.4590 3.4590 3.9556 3.9556 5.8516 5.8516 6.7661 6.7661 8.1942 8.1942 8.5228 8.5228 9.8907 9.8907 11.8301 11.8301 11.8713 11.8713 11.9704 11.9704 13.2197 13.2197 13.6518 13.6518 13.7334 13.7334 k = 0.1624 0.2813 0.6348 ( 3802 PWs) bands (ev): -31.3178 -31.3178 -12.6085 -12.6085 -12.2344 -12.2344 -12.2315 -12.2315 1.5815 1.5815 1.6051 1.6051 1.8294 1.8294 1.8693 1.8693 2.0787 2.0787 2.1132 2.1132 2.1384 2.1384 2.1500 2.1500 2.1738 2.1738 2.2366 2.2366 2.4004 2.4004 2.5117 2.5117 2.5621 2.5621 2.5777 2.5777 2.5980 2.5980 2.6296 2.6296 2.6871 2.6871 2.7471 2.7471 2.7612 2.7612 2.8252 2.8252 2.9142 2.9142 2.9314 2.9314 2.9874 2.9874 3.1026 3.1026 3.1243 3.1243 3.4238 3.4238 3.8914 3.8914 5.9538 5.9538 6.8639 6.8639 8.2674 8.2674 8.5521 8.5521 9.8278 9.8278 11.7645 11.7645 11.8935 11.8935 11.9202 11.9202 13.1348 13.1348 13.4441 13.4441 13.7351 13.7351 k = 0.1538 0.2665 0.6348 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6084 -12.6084 -12.2343 -12.2343 -12.2315 -12.2315 1.5711 1.5711 1.5844 1.5844 1.8243 1.8243 1.8636 1.8636 2.0828 2.0828 2.1167 2.1167 2.1433 2.1433 2.1560 2.1560 2.1740 2.1740 2.2354 2.2354 2.4020 2.4020 2.5098 2.5098 2.5584 2.5584 2.5778 2.5778 2.5955 2.5955 2.6256 2.6256 2.6940 2.6940 2.7519 2.7519 2.7606 2.7606 2.8279 2.8279 2.9216 2.9216 2.9361 2.9361 2.9990 2.9990 3.1069 3.1069 3.1300 3.1300 3.3903 3.3903 3.8289 3.8289 6.0577 6.0577 6.9635 6.9635 8.3425 8.3425 8.5775 8.5775 9.7689 9.7689 11.6952 11.6952 11.8383 11.8383 11.9409 11.9409 13.0676 13.0676 13.2358 13.2358 13.7385 13.7385 k = 0.1453 0.2517 0.6348 ( 3786 PWs) bands (ev): -31.3178 -31.3178 -12.6083 -12.6083 -12.2341 -12.2341 -12.2315 -12.2315 1.5568 1.5568 1.5684 1.5684 1.8193 1.8193 1.8581 1.8581 2.0863 2.0863 2.1201 2.1201 2.1458 2.1458 2.1628 2.1628 2.1749 2.1749 2.2346 2.2346 2.4042 2.4042 2.5071 2.5071 2.5546 2.5546 2.5787 2.5787 2.5933 2.5933 2.6213 2.6213 2.7009 2.7009 2.7577 2.7577 2.7604 2.7604 2.8304 2.8304 2.9274 2.9274 2.9412 2.9412 3.0113 3.0113 3.1110 3.1110 3.1354 3.1354 3.3586 3.3586 3.7684 3.7684 6.1628 6.1628 7.0649 7.0649 8.4194 8.4194 8.5991 8.5991 9.7142 9.7142 11.6228 11.6228 11.7517 11.7517 11.9860 11.9860 13.0177 13.0177 13.0283 13.0283 13.7434 13.7434 k = 0.1368 0.2369 0.6348 ( 3782 PWs) bands (ev): -31.3178 -31.3178 -12.6082 -12.6082 -12.2339 -12.2339 -12.2315 -12.2315 1.5376 1.5376 1.5581 1.5581 1.8146 1.8146 1.8526 1.8526 2.0895 2.0895 2.1233 2.1233 2.1473 2.1473 2.1678 2.1678 2.1775 2.1775 2.2341 2.2341 2.4070 2.4070 2.5039 2.5039 2.5510 2.5510 2.5801 2.5801 2.5915 2.5915 2.6171 2.6171 2.7076 2.7076 2.7605 2.7605 2.7644 2.7644 2.8329 2.8329 2.9319 2.9319 2.9463 2.9463 3.0239 3.0239 3.1147 3.1147 3.1406 3.1406 3.3288 3.3288 3.7097 3.7097 6.2690 6.2690 7.1680 7.1680 8.4978 8.4978 8.6169 8.6169 9.6641 9.6641 11.5476 11.5476 11.6507 11.6507 12.0397 12.0397 12.8212 12.8212 12.9848 12.9848 13.7497 13.7497 k = 0.1282 0.2221 0.6348 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6081 -12.6081 -12.2338 -12.2338 -12.2315 -12.2315 1.5176 1.5176 1.5497 1.5497 1.8101 1.8101 1.8473 1.8473 2.0922 2.0922 2.1263 2.1263 2.1481 2.1481 2.1700 2.1700 2.1822 2.1822 2.2339 2.2339 2.4103 2.4103 2.5007 2.5007 2.5479 2.5479 2.5813 2.5813 2.5903 2.5903 2.6129 2.6129 2.7139 2.7139 2.7609 2.7609 2.7718 2.7718 2.8354 2.8354 2.9355 2.9355 2.9514 2.9514 3.0365 3.0365 3.1179 3.1179 3.1453 3.1453 3.3009 3.3009 3.6529 3.6529 6.3758 6.3758 7.2728 7.2728 8.5774 8.5774 8.6315 8.6315 9.6187 9.6187 11.4699 11.4699 11.5382 11.5382 12.1011 12.1011 12.6167 12.6167 12.9654 12.9654 13.7571 13.7571 k = 0.1197 0.2073 0.6348 ( 3790 PWs) bands (ev): -31.3178 -31.3178 -12.6081 -12.6081 -12.2336 -12.2336 -12.2315 -12.2315 1.4981 1.4981 1.5419 1.5419 1.8058 1.8058 1.8422 1.8422 2.0946 2.0946 2.1291 2.1291 2.1485 2.1485 2.1709 2.1709 2.1874 2.1874 2.2340 2.2340 2.4137 2.4137 2.4981 2.4981 2.5452 2.5452 2.5820 2.5820 2.5900 2.5900 2.6090 2.6090 2.7200 2.7200 2.7617 2.7617 2.7795 2.7795 2.8379 2.8379 2.9386 2.9386 2.9562 2.9562 3.0487 3.0487 3.1209 3.1209 3.1499 3.1499 3.2753 3.2753 3.5981 3.5981 6.4827 6.4827 7.3790 7.3790 8.6395 8.6395 8.6616 8.6616 9.5785 9.5785 11.3895 11.3895 11.4174 11.4174 12.1695 12.1695 12.4149 12.4149 12.9574 12.9574 13.7656 13.7656 k = 0.1111 0.1925 0.6348 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6080 -12.6080 -12.2335 -12.2335 -12.2315 -12.2315 1.4793 1.4793 1.5348 1.5348 1.8017 1.8017 1.8373 1.8373 2.0967 2.0967 2.1318 2.1318 2.1487 2.1487 2.1715 2.1715 2.1921 2.1921 2.2340 2.2340 2.4169 2.4169 2.4967 2.4967 2.5429 2.5429 2.5819 2.5819 2.5908 2.5908 2.6054 2.6054 2.7256 2.7256 2.7629 2.7629 2.7874 2.7874 2.8407 2.8407 2.9412 2.9412 2.9608 2.9608 3.0602 3.0602 3.1233 3.1233 3.1541 3.1541 3.2520 3.2520 3.5452 3.5452 6.5891 6.5891 7.4865 7.4865 8.6490 8.6490 8.7424 8.7424 9.5436 9.5436 11.2864 11.2864 11.3111 11.3111 12.2161 12.2161 12.2443 12.2443 12.9583 12.9583 13.7749 13.7749 k = 0.1026 0.1776 0.6348 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6079 -12.6079 -12.2333 -12.2333 -12.2315 -12.2315 1.4614 1.4614 1.5282 1.5282 1.7979 1.7979 1.8327 1.8327 2.0985 2.0985 2.1342 2.1342 2.1487 2.1487 2.1721 2.1721 2.1961 2.1961 2.2341 2.2341 2.4192 2.4192 2.4969 2.4969 2.5410 2.5410 2.5812 2.5812 2.5923 2.5923 2.6024 2.6024 2.7309 2.7309 2.7648 2.7648 2.7951 2.7951 2.8437 2.8437 2.9435 2.9435 2.9650 2.9650 3.0703 3.0703 3.1251 3.1251 3.1580 3.1580 3.2317 3.2317 3.4943 3.4943 6.6945 6.6945 7.5952 7.5952 8.6545 8.6545 8.8256 8.8256 9.5146 9.5146 11.1551 11.1551 11.2273 11.2273 12.0215 12.0215 12.3241 12.3241 12.9661 12.9661 13.7850 13.7850 k = 0.0940 0.1628 0.6348 ( 3798 PWs) bands (ev): -31.3178 -31.3178 -12.6079 -12.6079 -12.2332 -12.2332 -12.2315 -12.2315 1.4446 1.4446 1.5221 1.5221 1.7944 1.7944 1.8284 1.8284 2.1000 2.1000 2.1364 2.1364 2.1485 2.1485 2.1727 2.1727 2.1994 2.1994 2.2340 2.2340 2.4205 2.4205 2.4990 2.4990 2.5393 2.5393 2.5802 2.5802 2.5936 2.5936 2.6004 2.6004 2.7357 2.7357 2.7674 2.7674 2.8024 2.8024 2.8473 2.8473 2.9455 2.9455 2.9688 2.9688 3.0784 3.0784 3.1265 3.1265 3.1614 3.1614 3.2147 3.2147 3.4453 3.4453 6.7979 6.7979 7.7047 7.7047 8.6577 8.6577 8.9096 8.9096 9.4920 9.4920 11.0204 11.0204 11.1432 11.1432 11.8312 11.8312 12.4083 12.4083 12.9788 12.9788 13.7955 13.7955 k = 0.0855 0.1480 0.6348 ( 3806 PWs) bands (ev): -31.3178 -31.3178 -12.6078 -12.6078 -12.2330 -12.2330 -12.2316 -12.2316 1.4288 1.4288 1.5165 1.5165 1.7910 1.7910 1.8244 1.8244 2.1012 2.1012 2.1383 2.1383 2.1482 2.1482 2.1735 2.1735 2.2020 2.2020 2.2337 2.2337 2.4205 2.4205 2.5027 2.5027 2.5379 2.5379 2.5790 2.5790 2.5936 2.5936 2.6003 2.6003 2.7399 2.7399 2.7709 2.7709 2.8091 2.8091 2.8515 2.8515 2.9472 2.9472 2.9723 2.9723 3.0836 3.0836 3.1279 3.1279 3.1645 3.1645 3.2017 3.2017 3.3983 3.3983 6.8985 6.8985 7.8147 7.8147 8.6591 8.6591 8.9939 8.9939 9.4761 9.4761 10.8848 10.8848 11.0585 11.0585 11.6459 11.6459 12.4956 12.4956 12.9951 12.9951 13.8063 13.8063 k = 0.0769 0.1332 0.6348 ( 3806 PWs) bands (ev): -31.3178 -31.3178 -12.6078 -12.6078 -12.2329 -12.2329 -12.2316 -12.2316 1.4143 1.4143 1.5114 1.5114 1.7880 1.7880 1.8207 1.8207 2.1022 2.1022 2.1399 2.1399 2.1481 2.1481 2.1743 2.1743 2.2041 2.2041 2.2335 2.2335 2.4196 2.4196 2.5077 2.5077 2.5368 2.5368 2.5779 2.5779 2.5924 2.5924 2.6020 2.6020 2.7433 2.7433 2.7755 2.7755 2.8151 2.8151 2.8568 2.8568 2.9487 2.9487 2.9754 2.9754 3.0847 3.0847 3.1299 3.1299 3.1672 3.1672 3.1929 3.1929 3.3533 3.3533 6.9953 6.9953 7.9247 7.9247 8.6591 8.6591 9.0783 9.0783 9.4675 9.4675 10.7497 10.7497 10.9736 10.9736 11.4664 11.4664 12.5846 12.5846 13.0137 13.0137 13.8171 13.8171 k = 0.0684 0.1184 0.6348 ( 3806 PWs) bands (ev): -31.3178 -31.3178 -12.6077 -12.6077 -12.2328 -12.2328 -12.2316 -12.2316 1.4011 1.4011 1.5068 1.5068 1.7853 1.7853 1.8175 1.8175 2.1030 2.1030 2.1410 2.1410 2.1483 2.1483 2.1752 2.1752 2.2056 2.2056 2.2332 2.2332 2.4180 2.4180 2.5134 2.5134 2.5360 2.5360 2.5769 2.5769 2.5913 2.5913 2.6042 2.6042 2.7460 2.7460 2.7808 2.7808 2.8201 2.8201 2.8633 2.8633 2.9500 2.9500 2.9783 2.9783 3.0817 3.0817 3.1329 3.1329 3.1694 3.1694 3.1880 3.1880 3.3104 3.3104 7.0871 7.0871 8.0340 8.0340 8.6582 8.6582 9.1621 9.1621 9.4668 9.4668 10.6164 10.6164 10.8890 10.8890 11.2935 11.2935 12.6738 12.6738 13.0335 13.0335 13.8278 13.8278 k = 0.0598 0.1036 0.6348 ( 3806 PWs) bands (ev): -31.3178 -31.3178 -12.6077 -12.6077 -12.2327 -12.2327 -12.2316 -12.2316 1.3893 1.3893 1.5028 1.5028 1.7828 1.7828 1.8146 1.8146 2.1036 2.1036 2.1416 2.1416 2.1487 2.1487 2.1762 2.1762 2.2065 2.2065 2.2328 2.2328 2.4161 2.4161 2.5192 2.5192 2.5354 2.5354 2.5759 2.5759 2.5905 2.5905 2.6063 2.6063 2.7480 2.7480 2.7865 2.7865 2.8242 2.8242 2.8713 2.8713 2.9512 2.9512 2.9808 2.9808 3.0760 3.0760 3.1364 3.1364 3.1713 3.1713 3.1858 3.1858 3.2698 3.2698 7.1725 7.1725 8.1416 8.1416 8.6565 8.6565 9.2448 9.2448 9.4741 9.4741 10.4866 10.4866 10.8054 10.8054 11.1283 11.1283 12.7612 12.7612 13.0536 13.0536 13.8380 13.8380 k = 0.0513 0.0888 0.6348 ( 3812 PWs) bands (ev): -31.3178 -31.3178 -12.6077 -12.6077 -12.2326 -12.2326 -12.2316 -12.2316 1.3789 1.3789 1.4993 1.4993 1.7807 1.7807 1.8121 1.8121 2.1041 2.1041 2.1417 2.1417 2.1494 2.1494 2.1772 2.1772 2.2070 2.2070 2.2325 2.2325 2.4141 2.4141 2.5245 2.5245 2.5351 2.5351 2.5749 2.5749 2.5903 2.5903 2.6082 2.6082 2.7495 2.7495 2.7922 2.7922 2.8275 2.8275 2.8806 2.8806 2.9525 2.9525 2.9830 2.9830 3.0690 3.0690 3.1399 3.1399 3.1727 3.1727 3.1850 3.1850 3.2320 3.2320 7.2503 7.2503 8.2464 8.2464 8.6546 8.6546 9.3252 9.3252 9.4898 9.4898 10.3618 10.3618 10.7237 10.7237 10.9723 10.9723 12.8448 12.8448 13.0733 13.0733 13.8475 13.8475 k = 0.0427 0.0740 0.6348 ( 3808 PWs) bands (ev): -31.3178 -31.3178 -12.6076 -12.6076 -12.2325 -12.2325 -12.2316 -12.2316 1.3701 1.3701 1.4963 1.4963 1.7788 1.7788 1.8099 1.8099 2.1045 2.1045 2.1416 2.1416 2.1502 2.1502 2.1782 2.1782 2.2071 2.2071 2.2324 2.2324 2.4122 2.4122 2.5291 2.5291 2.5350 2.5350 2.5741 2.5741 2.5908 2.5908 2.6097 2.6097 2.7507 2.7507 2.7976 2.7976 2.8302 2.8302 2.8911 2.8911 2.9543 2.9543 2.9849 2.9849 3.0622 3.0622 3.1428 3.1428 3.1717 3.1717 3.1834 3.1834 3.2008 3.2008 7.3190 7.3190 8.3462 8.3462 8.6527 8.6527 9.4020 9.4020 9.5135 9.5135 10.2444 10.2444 10.6454 10.6454 10.8273 10.8273 12.9220 12.9220 13.0919 13.0919 13.8561 13.8561 k = 0.0342 0.0592 0.6348 ( 3800 PWs) bands (ev): -31.3178 -31.3178 -12.6076 -12.6076 -12.2324 -12.2324 -12.2316 -12.2316 1.3628 1.3628 1.4938 1.4938 1.7773 1.7773 1.8082 1.8082 2.1047 2.1047 2.1415 2.1415 2.1510 2.1510 2.1791 2.1791 2.2070 2.2070 2.2322 2.2322 2.4105 2.4105 2.5324 2.5324 2.5353 2.5353 2.5735 2.5735 2.5917 2.5917 2.6108 2.6108 2.7516 2.7516 2.8022 2.8022 2.8323 2.8323 2.9020 2.9020 2.9573 2.9573 2.9864 2.9864 3.0562 3.0562 3.1451 3.1451 3.1529 3.1529 3.1806 3.1806 3.1913 3.1913 7.3773 7.3773 8.4382 8.4382 8.6513 8.6513 9.4728 9.4728 9.5443 9.5443 10.1372 10.1372 10.5721 10.5721 10.6962 10.6962 12.9898 12.9898 13.1092 13.1092 13.8635 13.8635 k = 0.0256 0.0444 0.6348 ( 3798 PWs) bands (ev): -31.3178 -31.3178 -12.6075 -12.6075 -12.2323 -12.2323 -12.2316 -12.2316 1.3570 1.3570 1.4919 1.4919 1.7761 1.7761 1.8069 1.8069 2.1049 2.1049 2.1412 2.1412 2.1517 2.1517 2.1799 2.1799 2.2067 2.2067 2.2322 2.2322 2.4091 2.4091 2.5340 2.5340 2.5365 2.5365 2.5730 2.5730 2.5930 2.5930 2.6115 2.6115 2.7523 2.7523 2.8059 2.8059 2.8339 2.8339 2.9119 2.9119 2.9625 2.9625 2.9876 2.9876 3.0517 3.0517 3.1236 3.1236 3.1470 3.1470 3.1811 3.1811 3.1911 3.1911 7.4240 7.4240 8.5180 8.5180 8.6511 8.6511 9.5340 9.5340 9.5803 9.5803 10.0444 10.0444 10.5067 10.5067 10.5831 10.5831 13.0446 13.0446 13.1253 13.1253 13.8695 13.8695 k = 0.0171 0.0296 0.6348 ( 3786 PWs) bands (ev): -31.3178 -31.3178 -12.6075 -12.6075 -12.2322 -12.2322 -12.2316 -12.2316 1.3530 1.3530 1.4906 1.4906 1.7753 1.7753 1.8059 1.8059 2.1050 2.1050 2.1411 2.1411 2.1523 2.1523 2.1805 2.1805 2.2064 2.2064 2.2322 2.2322 2.4081 2.4081 2.5344 2.5344 2.5380 2.5380 2.5727 2.5727 2.5943 2.5943 2.6118 2.6118 2.7527 2.7527 2.8086 2.8086 2.8351 2.8351 2.9191 2.9191 2.9706 2.9706 2.9885 2.9885 3.0492 3.0492 3.0964 3.0964 3.1482 3.1482 3.1821 3.1821 3.1917 3.1917 7.4581 7.4581 8.5789 8.5789 8.6538 8.6538 9.5814 9.5814 9.6169 9.6169 9.9710 9.9710 10.4524 10.4524 10.4944 10.4944 13.0825 13.0825 13.1410 13.1410 13.8739 13.8739 k = 0.0085 0.0148 0.6348 ( 3782 PWs) bands (ev): -31.3178 -31.3178 -12.6075 -12.6075 -12.2322 -12.2322 -12.2316 -12.2316 1.3505 1.3505 1.4898 1.4898 1.7747 1.7747 1.8054 1.8054 2.1051 2.1051 2.1410 2.1410 2.1526 2.1526 2.1810 2.1810 2.2062 2.2062 2.2322 2.2322 2.4075 2.4075 2.5346 2.5346 2.5389 2.5389 2.5725 2.5725 2.5953 2.5953 2.6119 2.6119 2.7530 2.7530 2.8102 2.8102 2.8358 2.8358 2.9232 2.9232 2.9795 2.9795 2.9890 2.9890 3.0498 3.0498 3.0740 3.0740 3.1489 3.1489 3.1827 3.1827 3.1923 3.1923 7.4788 7.4788 8.6124 8.6124 8.6622 8.6622 9.6118 9.6118 9.6454 9.6454 9.9234 9.9234 10.4130 10.4130 10.4392 10.4392 13.1025 13.1025 13.1544 13.1544 13.8766 13.8766 k = 0.0000 0.0000 0.6348 ( 3774 PWs) bands (ev): -31.3178 -31.3178 -12.6074 -12.6074 -12.2322 -12.2322 -12.2316 -12.2316 1.3497 1.3497 1.4895 1.4895 1.7746 1.7746 1.8052 1.8052 2.1051 2.1051 2.1410 2.1410 2.1527 2.1527 2.1811 2.1811 2.2061 2.2061 2.2322 2.2322 2.4073 2.4073 2.5346 2.5346 2.5392 2.5392 2.5724 2.5724 2.5956 2.5956 2.6119 2.6119 2.7531 2.7531 2.8107 2.8107 2.8361 2.8361 2.9244 2.9244 2.9838 2.9838 2.9892 2.9892 3.0533 3.0533 3.0620 3.0620 3.1492 3.1492 3.1830 3.1830 3.1925 3.1925 7.4858 7.4858 8.6207 8.6207 8.6685 8.6685 9.6225 9.6225 9.6562 9.6562 9.9068 9.9068 10.3971 10.3971 10.4217 10.4217 13.1083 13.1083 13.1599 13.1599 13.8776 13.8776 k = 0.5000 0.2887 0.6348 ( 3784 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2360 -12.2360 -12.2312 -12.2312 1.6853 1.6853 1.7543 1.7543 1.8886 1.8886 1.9526 1.9526 2.0050 2.0050 2.0632 2.0632 2.0891 2.0891 2.1602 2.1602 2.2067 2.2067 2.2326 2.2326 2.4712 2.4712 2.4856 2.4856 2.5322 2.5322 2.5444 2.5444 2.6265 2.6265 2.6281 2.6281 2.7191 2.7191 2.7566 2.7566 2.7906 2.7906 2.8029 2.8029 2.8388 2.8388 2.8393 2.8393 2.8583 2.8583 2.9803 2.9803 3.1553 3.1553 3.8749 3.8749 4.7223 4.7223 4.8937 4.8937 5.6329 5.6329 8.4993 8.4993 8.8091 8.8091 9.0638 9.0638 10.7514 10.7514 12.4101 12.4101 13.4250 13.4250 13.9387 13.9387 14.3118 14.3118 14.7541 14.7541 k = 0.5000 0.2887 0.6176 ( 3796 PWs) bands (ev): -31.3177 -31.3177 -12.6091 -12.6091 -12.2360 -12.2360 -12.2312 -12.2312 1.6848 1.6848 1.7519 1.7519 1.8887 1.8887 1.9543 1.9543 2.0047 2.0047 2.0638 2.0638 2.0892 2.0892 2.1601 2.1601 2.2067 2.2067 2.2324 2.2324 2.4702 2.4702 2.4854 2.4854 2.5318 2.5318 2.5450 2.5450 2.6265 2.6265 2.6286 2.6286 2.7184 2.7184 2.7566 2.7566 2.7908 2.7908 2.8030 2.8030 2.8360 2.8360 2.8417 2.8417 2.8592 2.8592 2.9803 2.9803 3.1551 3.1551 3.8641 3.8641 4.7369 4.7369 4.8765 4.8765 5.6534 5.6534 8.4692 8.4692 8.8416 8.8416 9.0571 9.0571 10.7594 10.7594 12.4077 12.4077 13.4255 13.4255 13.9400 13.9400 14.3091 14.3091 14.7533 14.7533 k = 0.5000 0.2887 0.6005 ( 3796 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2360 -12.2360 -12.2311 -12.2311 1.6835 1.6835 1.7452 1.7452 1.8891 1.8891 1.9590 1.9590 2.0039 2.0039 2.0654 2.0654 2.0898 2.0898 2.1600 2.1600 2.2070 2.2070 2.2319 2.2319 2.4675 2.4675 2.4849 2.4849 2.5305 2.5305 2.5468 2.5468 2.6264 2.6264 2.6302 2.6302 2.7166 2.7166 2.7567 2.7567 2.7915 2.7915 2.8034 2.8034 2.8329 2.8329 2.8439 2.8439 2.8622 2.8622 2.9802 2.9802 3.1544 3.1544 3.8340 3.8340 4.7780 4.7780 4.8304 4.8304 5.7100 5.7100 8.4008 8.4008 8.9171 8.9171 9.0375 9.0375 10.7828 10.7828 12.4005 12.4005 13.4272 13.4272 13.9443 13.9443 14.3012 14.3012 14.7508 14.7508 k = 0.5000 0.2887 0.5833 ( 3800 PWs) bands (ev): -31.3177 -31.3177 -12.6090 -12.6090 -12.2361 -12.2361 -12.2309 -12.2309 1.6811 1.6811 1.7347 1.7347 1.8897 1.8897 1.9661 1.9661 2.0030 2.0030 2.0672 2.0672 2.0914 2.0914 2.1597 2.1597 2.2074 2.2074 2.2311 2.2311 2.4632 2.4632 2.4841 2.4841 2.5285 2.5285 2.5494 2.5494 2.6260 2.6260 2.6329 2.6329 2.7137 2.7137 2.7568 2.7568 2.7927 2.7927 2.8040 2.8040 2.8297 2.8297 2.8456 2.8456 2.8669 2.8669 2.9800 2.9800 3.1534 3.1534 3.7895 3.7895 4.7610 4.7610 4.8452 4.8452 5.7929 5.7929 8.3187 8.3187 9.0016 9.0016 9.0155 9.0155 10.8205 10.8205 12.3886 12.3886 13.4299 13.4299 13.9514 13.9514 14.2882 14.2882 14.7469 14.7469 k = 0.5000 0.2887 0.5661 ( 3798 PWs) bands (ev): -31.3178 -31.3178 -12.6089 -12.6089 -12.2361 -12.2361 -12.2307 -12.2307 1.6776 1.6776 1.7216 1.7216 1.8907 1.8907 1.9745 1.9745 2.0023 2.0023 2.0682 2.0682 2.0948 2.0948 2.1592 2.1592 2.2081 2.2081 2.2300 2.2300 2.4577 2.4577 2.4833 2.4833 2.5258 2.5258 2.5528 2.5528 2.6255 2.6255 2.6364 2.6364 2.7100 2.7100 2.7567 2.7567 2.7946 2.7946 2.8049 2.8049 2.8265 2.8265 2.8470 2.8470 2.8731 2.8731 2.9799 2.9799 3.1519 3.1519 3.7357 3.7357 4.6835 4.6835 4.9263 4.9263 5.8935 5.8935 8.2326 8.2326 8.9633 8.9633 9.1150 9.1150 10.8707 10.8707 12.3724 12.3724 13.4337 13.4337 13.9614 13.9614 14.2707 14.2707 14.7419 14.7419 k = 0.5000 0.2887 0.5490 ( 3794 PWs) bands (ev): -31.3178 -31.3178 -12.6087 -12.6087 -12.2361 -12.2361 -12.2304 -12.2304 1.6723 1.6723 1.7074 1.7074 1.8919 1.8919 1.9827 1.9827 2.0027 2.0027 2.0677 2.0677 2.1002 2.1002 2.1583 2.1583 2.2092 2.2092 2.2288 2.2288 2.4513 2.4513 2.4823 2.4823 2.5224 2.5224 2.5566 2.5566 2.6247 2.6247 2.6405 2.6405 2.7057 2.7057 2.7564 2.7564 2.7971 2.7971 2.8061 2.8061 2.8230 2.8230 2.8482 2.8482 2.8803 2.8803 2.9797 2.9797 3.1500 3.1500 3.6770 3.6770 4.5999 4.5999 5.0211 5.0211 6.0062 6.0062 8.1460 8.1460 8.9132 8.9132 9.2232 9.2232 10.9313 10.9313 12.3522 12.3522 13.4386 13.4386 13.9743 13.9743 14.2489 14.2489 14.7360 14.7360 k = 0.5000 0.2887 0.5318 ( 3790 PWs) bands (ev): -31.3178 -31.3178 -12.6086 -12.6086 -12.2362 -12.2362 -12.2300 -12.2300 1.6636 1.6636 1.6942 1.6942 1.8934 1.8934 1.9884 1.9884 2.0062 2.0062 2.0660 2.0660 2.1074 2.1074 2.1570 2.1570 2.2107 2.2107 2.2274 2.2274 2.4441 2.4441 2.4814 2.4814 2.5185 2.5185 2.5608 2.5608 2.6237 2.6237 2.6448 2.6448 2.7011 2.7011 2.7559 2.7559 2.8002 2.8002 2.8075 2.8075 2.8192 2.8192 2.8493 2.8493 2.8882 2.8882 2.9797 2.9797 3.1477 3.1477 3.6163 3.6163 4.5139 4.5139 5.1260 5.1260 6.1276 6.1276 8.0604 8.0604 8.8562 8.8562 9.3354 9.3354 11.0004 11.0004 12.3282 12.3282 13.4444 13.4444 13.9900 13.9900 14.2237 14.2237 14.7297 14.7297 k = 0.5000 0.2887 0.5147 ( 3792 PWs) bands (ev): -31.3178 -31.3178 -12.6084 -12.6084 -12.2362 -12.2362 -12.2295 -12.2295 1.6499 1.6499 1.6842 1.6842 1.8952 1.8952 1.9903 1.9903 2.0134 2.0134 2.0632 2.0632 2.1156 2.1156 2.1552 2.1552 2.2127 2.2127 2.2261 2.2261 2.4365 2.4365 2.4807 2.4807 2.5139 2.5139 2.5652 2.5652 2.6225 2.6225 2.6489 2.6489 2.6967 2.6967 2.7551 2.7551 2.8036 2.8036 2.8091 2.8091 2.8152 2.8152 2.8504 2.8504 2.8965 2.8965 2.9798 2.9798 3.1450 3.1450 3.5559 3.5559 4.4275 4.4275 5.2390 5.2390 6.2558 6.2558 7.9764 7.9764 8.7943 8.7943 9.4506 9.4506 11.0759 11.0759 12.3009 12.3009 13.4511 13.4511 14.0085 14.0085 14.1956 14.1956 14.7233 14.7233 k = 0.5000 0.2887 0.4975 ( 3792 PWs) bands (ev): -31.3179 -31.3179 -12.6082 -12.6082 -12.2363 -12.2363 -12.2290 -12.2290 1.6316 1.6316 1.6773 1.6773 1.8973 1.8973 1.9905 1.9905 2.0223 2.0223 2.0597 2.0597 2.1243 2.1243 2.1527 2.1527 2.2149 2.2149 2.2251 2.2251 2.4286 2.4286 2.4801 2.4801 2.5088 2.5088 2.5697 2.5697 2.6212 2.6212 2.6523 2.6523 2.6929 2.6929 2.7540 2.7540 2.8067 2.8067 2.8106 2.8106 2.8120 2.8120 2.8515 2.8515 2.9048 2.9048 2.9803 2.9803 3.1418 3.1418 3.4970 3.4970 4.3421 4.3421 5.3586 5.3586 6.3895 6.3895 7.8945 7.8945 8.7288 8.7288 9.5685 9.5685 11.1561 11.1561 12.2707 12.2707 13.4587 13.4587 14.0300 14.0300 14.1658 14.1658 14.7171 14.7171 k = 0.5000 0.2887 0.4804 ( 3788 PWs) bands (ev): -31.3179 -31.3179 -12.6080 -12.6080 -12.2364 -12.2364 -12.2284 -12.2284 1.6107 1.6107 1.6721 1.6721 1.8997 1.8997 1.9901 1.9901 2.0314 2.0314 2.0557 2.0557 2.1332 2.1332 2.1498 2.1498 2.2165 2.2165 2.2254 2.2254 2.4205 2.4205 2.4797 2.4797 2.5034 2.5034 2.5740 2.5740 2.6199 2.6199 2.6541 2.6541 2.6907 2.6907 2.7526 2.7526 2.8048 2.8048 2.8113 2.8113 2.8147 2.8147 2.8526 2.8526 2.9128 2.9128 2.9815 2.9815 3.1382 3.1382 3.4407 3.4407 4.2584 4.2584 5.4840 5.4840 6.5279 6.5279 7.8149 7.8149 8.6608 8.6608 9.6887 9.6887 11.2394 11.2394 12.2380 12.2380 13.4670 13.4670 14.0543 14.0543 14.1350 14.1350 14.7118 14.7118 k = 0.5000 0.2887 0.4632 ( 3780 PWs) bands (ev): -31.3180 -31.3180 -12.6077 -12.6077 -12.2365 -12.2365 -12.2277 -12.2277 1.5882 1.5882 1.6678 1.6678 1.9023 1.9023 1.9895 1.9895 2.0397 2.0397 2.0514 2.0514 2.1415 2.1415 2.1467 2.1467 2.2165 2.2165 2.2282 2.2282 2.4124 2.4124 2.4795 2.4795 2.4977 2.4977 2.5782 2.5782 2.6185 2.6185 2.6540 2.6540 2.6906 2.6906 2.7509 2.7509 2.7998 2.7998 2.8138 2.8138 2.8186 2.8186 2.8538 2.8538 2.9200 2.9200 2.9837 2.9837 3.1342 3.1342 3.3878 3.3878 4.1770 4.1770 5.6144 5.6144 6.6705 6.6705 7.7377 7.7377 8.5914 8.5914 9.8110 9.8110 11.3241 11.3241 12.2034 12.2034 13.4760 13.4760 14.0808 14.0808 14.1049 14.1049 14.7077 14.7077 k = 0.5000 0.2887 0.4460 ( 3784 PWs) bands (ev): -31.3180 -31.3180 -12.6075 -12.6075 -12.2367 -12.2367 -12.2270 -12.2270 1.5648 1.5648 1.6639 1.6639 1.9052 1.9052 1.9888 1.9888 2.0444 2.0444 2.0496 2.0496 2.1417 2.1417 2.1506 2.1506 2.2153 2.2153 2.2329 2.2329 2.4043 2.4043 2.4792 2.4792 2.4921 2.4921 2.5820 2.5820 2.6171 2.6171 2.6519 2.6519 2.6924 2.6924 2.7487 2.7487 2.7944 2.7944 2.8163 2.8163 2.8229 2.8229 2.8550 2.8550 2.9256 2.9256 2.9874 2.9874 3.1298 3.1298 3.3388 3.3388 4.0983 4.0983 5.7494 5.7494 6.8169 6.8169 7.6631 7.6631 8.5213 8.5213 9.9352 9.9352 11.4088 11.4088 12.1671 12.1671 13.4855 13.4855 14.0724 14.0724 14.1133 14.1133 14.7053 14.7053 k = 0.5000 0.2887 0.4289 ( 3780 PWs) bands (ev): -31.3181 -31.3181 -12.6072 -12.6072 -12.2368 -12.2368 -12.2262 -12.2262 1.5406 1.5406 1.6605 1.6605 1.9083 1.9083 1.9882 1.9882 2.0404 2.0404 2.0553 2.0553 2.1373 2.1373 2.1576 2.1576 2.2137 2.2137 2.2388 2.2388 2.3963 2.3963 2.4777 2.4777 2.4876 2.4876 2.5853 2.5853 2.6158 2.6158 2.6487 2.6487 2.6957 2.6957 2.7460 2.7460 2.7890 2.7890 2.8188 2.8188 2.8271 2.8271 2.8564 2.8564 2.9294 2.9294 2.9929 2.9929 3.1250 3.1250 3.2939 3.2939 4.0226 4.0226 5.8886 5.8886 6.9669 6.9669 7.5912 7.5912 8.4512 8.4512 10.0611 10.0611 11.4923 11.4923 12.1296 12.1296 13.4953 13.4953 14.0439 14.0439 14.1463 14.1463 14.7054 14.7054 k = 0.5000 0.2887 0.4117 ( 3798 PWs) bands (ev): -31.3181 -31.3181 -12.6070 -12.6070 -12.2370 -12.2370 -12.2254 -12.2254 1.5160 1.5160 1.6574 1.6574 1.9116 1.9116 1.9875 1.9875 2.0352 2.0352 2.0610 2.0610 2.1324 2.1324 2.1635 2.1635 2.2119 2.2119 2.2454 2.2454 2.3886 2.3886 2.4734 2.4734 2.4859 2.4859 2.5880 2.5880 2.6145 2.6145 2.6453 2.6453 2.6997 2.6997 2.7426 2.7426 2.7838 2.7838 2.8213 2.8213 2.8310 2.8310 2.8580 2.8580 2.9312 2.9312 3.0003 3.0003 3.1197 3.1197 3.2533 3.2533 3.9500 3.9500 6.0316 6.0316 7.1200 7.1200 7.5219 7.5219 8.3817 8.3817 10.1886 10.1886 11.5730 11.5730 12.0913 12.0913 13.5053 13.5053 14.0172 14.0172 14.1826 14.1826 14.7086 14.7086 k = 0.5000 0.2887 0.3946 ( 3788 PWs) bands (ev): -31.3182 -31.3182 -12.6067 -12.6067 -12.2371 -12.2371 -12.2246 -12.2246 1.4911 1.4911 1.6550 1.6550 1.9153 1.9153 1.9869 1.9869 2.0297 2.0297 2.0658 2.0658 2.1272 2.1272 2.1683 2.1683 2.2099 2.2099 2.2522 2.2522 2.3815 2.3815 2.4671 2.4671 2.4864 2.4864 2.5900 2.5900 2.6132 2.6132 2.6424 2.6424 2.7041 2.7041 2.7386 2.7386 2.7791 2.7791 2.8239 2.8239 2.8346 2.8346 2.8598 2.8598 2.9312 2.9312 3.0092 3.0092 3.1141 3.1141 3.2172 3.2172 3.8808 3.8808 6.1782 6.1782 7.2761 7.2761 7.4555 7.4555 8.3133 8.3133 10.3175 10.3175 11.6499 11.6499 12.0526 12.0526 13.5155 13.5155 13.9931 13.9931 14.2220 14.2220 14.7157 14.7157 k = 0.5000 0.2887 0.3774 ( 3800 PWs) bands (ev): -31.3183 -31.3183 -12.6064 -12.6064 -12.2374 -12.2374 -12.2237 -12.2237 1.4660 1.4660 1.6531 1.6531 1.9191 1.9191 1.9861 1.9861 2.0241 2.0241 2.0697 2.0697 2.1216 2.1216 2.1717 2.1717 2.2078 2.2078 2.2582 2.2582 2.3755 2.3755 2.4597 2.4597 2.4877 2.4877 2.5915 2.5915 2.6116 2.6116 2.6404 2.6404 2.7084 2.7084 2.7342 2.7342 2.7750 2.7750 2.8264 2.8264 2.8377 2.8377 2.8619 2.8619 2.9299 2.9299 3.0191 3.0191 3.1082 3.1082 3.1853 3.1853 3.8151 3.8151 6.3282 6.3282 7.3902 7.3902 7.4367 7.4367 8.2464 8.2464 10.4476 10.4476 11.7216 11.7216 12.0137 12.0137 13.5253 13.5253 13.9718 13.9718 14.2646 14.2646 14.7252 14.7252 k = 0.5000 0.2887 0.3603 ( 3798 PWs) bands (ev): -31.3183 -31.3183 -12.6061 -12.6061 -12.2375 -12.2375 -12.2228 -12.2228 1.4409 1.4409 1.6517 1.6517 1.9231 1.9231 1.9854 1.9854 2.0185 2.0185 2.0726 2.0726 2.1159 2.1159 2.1739 2.1739 2.2056 2.2056 2.2626 2.2626 2.3712 2.3712 2.4519 2.4519 2.4896 2.4896 2.5927 2.5927 2.6097 2.6097 2.6395 2.6395 2.7125 2.7125 2.7299 2.7299 2.7714 2.7714 2.8286 2.8286 2.8404 2.8404 2.8643 2.8643 2.9275 2.9275 3.0299 3.0299 3.1019 3.1019 3.1575 3.1575 3.7530 3.7530 6.4814 6.4814 7.3302 7.3302 7.5972 7.5972 8.1815 8.1815 10.5788 10.5788 11.7871 11.7871 11.9751 11.9751 13.5348 13.5348 13.9534 13.9534 14.3104 14.3104 14.6646 14.6646 k = 0.5000 0.2887 0.3431 ( 3802 PWs) bands (ev): -31.3184 -31.3184 -12.6058 -12.6058 -12.2377 -12.2377 -12.2218 -12.2218 1.4158 1.4158 1.6510 1.6510 1.9272 1.9272 1.9844 1.9844 2.0130 2.0130 2.0748 2.0748 2.1100 2.1100 2.1748 2.1748 2.2031 2.2031 2.2642 2.2642 2.3694 2.3694 2.4438 2.4438 2.4918 2.4918 2.5937 2.5937 2.6078 2.6078 2.6397 2.6397 2.7156 2.7156 2.7266 2.7266 2.7684 2.7684 2.8304 2.8304 2.8429 2.8429 2.8668 2.8668 2.9244 2.9244 3.0409 3.0409 3.0952 3.0952 3.1336 3.1336 3.6946 3.6946 6.6377 6.6377 7.2721 7.2721 7.7601 7.7601 8.1199 8.1199 10.7108 10.7108 11.8450 11.8450 11.9373 11.9373 13.5434 13.5434 13.9375 13.9375 14.3593 14.3593 14.5789 14.5789 k = 0.5000 0.2887 0.3260 ( 3802 PWs) bands (ev): -31.3185 -31.3185 -12.6055 -12.6055 -12.2379 -12.2379 -12.2209 -12.2209 1.3910 1.3910 1.6510 1.6510 1.9314 1.9314 1.9833 1.9833 2.0078 2.0078 2.0761 2.0761 2.1039 2.1039 2.1744 2.1744 2.2002 2.2002 2.2622 2.2622 2.3705 2.3705 2.4357 2.4357 2.4942 2.4942 2.5946 2.5946 2.6060 2.6060 2.6406 2.6406 2.7159 2.7159 2.7266 2.7266 2.7658 2.7658 2.8317 2.8317 2.8454 2.8454 2.8692 2.8692 2.9206 2.9206 3.0521 3.0521 3.0879 3.0879 3.1133 3.1133 3.6400 3.6400 6.7968 6.7968 7.2168 7.2168 7.9181 7.9181 8.0680 8.0680 10.8434 10.8434 11.8870 11.8870 11.9084 11.9084 13.5508 13.5508 13.9235 13.9235 14.4114 14.4114 14.4899 14.4899 k = 0.5000 0.2887 0.3088 ( 3802 PWs) bands (ev): -31.3185 -31.3185 -12.6052 -12.6052 -12.2381 -12.2381 -12.2199 -12.2199 1.3666 1.3666 1.6517 1.6517 1.9358 1.9358 1.9820 1.9820 2.0028 2.0028 2.0768 2.0768 2.0979 2.0979 2.1729 2.1729 2.1969 2.1969 2.2567 2.2567 2.3744 2.3744 2.4277 2.4277 2.4968 2.4968 2.5954 2.5954 2.6050 2.6050 2.6421 2.6421 2.7139 2.7139 2.7296 2.7296 2.7634 2.7634 2.8323 2.8323 2.8479 2.8479 2.8716 2.8716 2.9165 2.9165 3.0627 3.0627 3.0796 3.0796 3.0973 3.0973 3.5891 3.5891 6.9585 6.9585 7.1643 7.1643 7.9757 7.9757 8.1213 8.1213 10.9764 10.9764 11.8598 11.8598 11.9413 11.9413 13.5565 13.5565 13.9104 13.9104 14.3961 14.3961 14.4670 14.4670 k = 0.5000 0.2887 0.2916 ( 3806 PWs) bands (ev): -31.3186 -31.3186 -12.6050 -12.6050 -12.2383 -12.2383 -12.2190 -12.2190 1.3426 1.3426 1.6532 1.6532 1.9400 1.9400 1.9804 1.9804 1.9984 1.9984 2.0768 2.0768 2.0920 2.0920 2.1701 2.1701 2.1928 2.1928 2.2482 2.2482 2.3800 2.3800 2.4201 2.4201 2.4997 2.4997 2.5958 2.5958 2.6055 2.6055 2.6439 2.6439 2.7118 2.7118 2.7336 2.7336 2.7612 2.7612 2.8322 2.8322 2.8505 2.8505 2.8736 2.8736 2.9122 2.9122 3.0649 3.0649 3.0765 3.0765 3.0865 3.0865 3.5420 3.5420 7.1146 7.1146 7.1227 7.1227 7.9290 7.9290 8.2837 8.2837 11.1096 11.1096 11.8246 11.8246 11.9751 11.9751 13.5594 13.5594 13.8970 13.8970 14.2965 14.2965 14.5256 14.5256 k = 0.5000 0.2887 0.2745 ( 3806 PWs) bands (ev): -31.3186 -31.3186 -12.6047 -12.6047 -12.2385 -12.2385 -12.2180 -12.2180 1.3192 1.3192 1.6554 1.6554 1.9441 1.9441 1.9785 1.9785 1.9947 1.9947 2.0762 2.0762 2.0863 2.0863 2.1660 2.1660 2.1878 2.1878 2.2379 2.2379 2.3860 2.3860 2.4137 2.4137 2.5029 2.5029 2.5957 2.5957 2.6077 2.6077 2.6462 2.6462 2.7103 2.7103 2.7380 2.7380 2.7590 2.7590 2.8316 2.8316 2.8531 2.8531 2.8753 2.8753 2.9077 2.9077 3.0532 3.0532 3.0764 3.0764 3.0883 3.0883 3.4987 3.4987 7.0679 7.0679 7.2891 7.2891 7.8769 7.8769 8.4564 8.4564 11.2426 11.2426 11.7901 11.7901 12.0012 12.0012 13.5581 13.5581 13.8819 13.8819 14.1898 14.1898 14.5875 14.5875 k = 0.5000 0.2887 0.2573 ( 3818 PWs) bands (ev): -31.3187 -31.3187 -12.6044 -12.6044 -12.2387 -12.2387 -12.2171 -12.2171 1.2965 1.2965 1.6585 1.6585 1.9475 1.9475 1.9764 1.9764 1.9919 1.9919 2.0746 2.0746 2.0814 2.0814 2.1603 2.1603 2.1818 2.1818 2.2269 2.2269 2.3900 2.3900 2.4100 2.4100 2.5066 2.5066 2.5953 2.5953 2.6112 2.6112 2.6488 2.6488 2.7094 2.7094 2.7426 2.7426 2.7568 2.7568 2.8305 2.8305 2.8556 2.8556 2.8766 2.8766 2.9031 2.9031 3.0401 3.0401 3.0705 3.0705 3.0983 3.0983 3.4590 3.4590 7.0239 7.0239 7.4575 7.4575 7.8262 7.8262 8.6327 8.6327 11.3750 11.3750 11.7569 11.7569 12.0195 12.0195 13.5496 13.5496 13.8638 13.8638 14.0766 14.0766 14.6524 14.6524 k = 0.5000 0.2887 0.2402 ( 3814 PWs) bands (ev): -31.3188 -31.3188 -12.6041 -12.6041 -12.2388 -12.2388 -12.2162 -12.2162 1.2747 1.2747 1.6624 1.6624 1.9499 1.9499 1.9746 1.9746 1.9901 1.9901 2.0713 2.0713 2.0780 2.0780 2.1524 2.1524 2.1750 2.1750 2.2163 2.2163 2.3896 2.3896 2.4110 2.4110 2.5112 2.5112 2.5952 2.5952 2.6160 2.6160 2.6518 2.6518 2.7091 2.7091 2.7473 2.7473 2.7546 2.7546 2.8291 2.8291 2.8580 2.8580 2.8775 2.8775 2.8986 2.8986 3.0272 3.0272 3.0651 3.0651 3.1085 3.1085 3.4230 3.4230 6.9829 6.9829 7.6275 7.6275 7.7779 7.7779 8.8114 8.8114 11.5065 11.5065 11.7254 11.7254 12.0307 12.0307 13.5280 13.5280 13.8406 13.8406 13.9621 13.9621 14.7199 14.7199 k = 0.5000 0.2887 0.2230 ( 3810 PWs) bands (ev): -31.3188 -31.3188 -12.6039 -12.6039 -12.2390 -12.2390 -12.2153 -12.2153 1.2538 1.2538 1.6671 1.6671 1.9508 1.9508 1.9735 1.9735 1.9895 1.9895 2.0667 2.0667 2.0760 2.0760 2.1416 2.1416 2.1678 2.1678 2.2067 2.2067 2.3864 2.3864 2.4148 2.4148 2.5167 2.5167 2.5953 2.5953 2.6214 2.6214 2.6553 2.6553 2.7093 2.7093 2.7511 2.7511 2.7535 2.7535 2.8273 2.8273 2.8601 2.8601 2.8779 2.8779 2.8942 2.8942 3.0145 3.0145 3.0604 3.0604 3.1184 3.1184 3.3906 3.3906 6.9447 6.9447 7.7320 7.7320 7.7992 7.7992 8.9920 8.9920 11.6363 11.6363 11.6959 11.6959 12.0352 12.0352 13.4811 13.4811 13.8089 13.8089 13.8606 13.8606 14.7889 14.7889 k = 0.5000 0.2887 0.2059 ( 3810 PWs) bands (ev): -31.3189 -31.3189 -12.6036 -12.6036 -12.2392 -12.2392 -12.2144 -12.2144 1.2340 1.2340 1.6727 1.6727 1.9499 1.9499 1.9730 1.9730 1.9902 1.9902 2.0617 2.0617 2.0743 2.0743 2.1280 2.1280 2.1609 2.1609 2.1981 2.1981 2.3827 2.3827 2.4186 2.4186 2.5232 2.5232 2.5957 2.5957 2.6273 2.6273 2.6593 2.6593 2.7097 2.7097 2.7497 2.7497 2.7577 2.7577 2.8253 2.8253 2.8618 2.8618 2.8778 2.8778 2.8900 2.8900 3.0020 3.0020 3.0562 3.0562 3.1278 3.1278 3.3615 3.3615 6.9093 6.9093 7.6895 7.6895 7.9714 7.9714 9.1743 9.1743 11.6664 11.6664 11.7661 11.7661 12.0334 12.0334 13.3931 13.3931 13.7614 13.7614 13.7950 13.7950 14.8549 14.8549 k = 0.5000 0.2887 0.1887 ( 3810 PWs) bands (ev): -31.3189 -31.3189 -12.6034 -12.6034 -12.2393 -12.2393 -12.2136 -12.2136 1.2154 1.2154 1.6792 1.6792 1.9478 1.9478 1.9725 1.9725 1.9924 1.9924 2.0568 2.0568 2.0726 2.0726 2.1120 2.1120 2.1543 2.1543 2.1905 2.1905 2.3796 2.3796 2.4215 2.4215 2.5306 2.5306 2.5964 2.5964 2.6333 2.6333 2.6640 2.6640 2.7104 2.7104 2.7474 2.7474 2.7629 2.7629 2.8231 2.8231 2.8631 2.8631 2.8772 2.8772 2.8861 2.8861 2.9896 2.9896 3.0525 3.0525 3.1367 3.1367 3.3357 3.3357 6.8768 6.8768 7.6499 7.6499 8.1441 8.1441 9.3580 9.3580 11.6404 11.6404 11.8920 11.8920 12.0260 12.0260 13.2625 13.2625 13.7150 13.7150 13.7506 13.7506 14.8869 14.8869 k = 0.5000 0.2887 0.1716 ( 3810 PWs) bands (ev): -31.3190 -31.3190 -12.6032 -12.6032 -12.2395 -12.2395 -12.2128 -12.2128 1.1981 1.1981 1.6865 1.6865 1.9449 1.9449 1.9716 1.9716 1.9956 1.9956 2.0522 2.0522 2.0707 2.0707 2.0949 2.0949 2.1481 2.1481 2.1834 2.1834 2.3773 2.3773 2.4232 2.4232 2.5389 2.5389 2.5974 2.5974 2.6393 2.6393 2.6691 2.6691 2.7113 2.7113 2.7451 2.7451 2.7682 2.7682 2.8208 2.8208 2.8638 2.8638 2.8762 2.8762 2.8825 2.8825 2.9773 2.9773 3.0494 3.0494 3.1449 3.1449 3.3130 3.3130 6.8472 6.8472 7.6135 7.6135 8.3165 8.3165 9.5426 9.5426 11.6161 11.6161 12.0073 12.0073 12.0208 12.0208 13.1041 13.1041 13.6675 13.6675 13.7168 13.7168 14.8273 14.8273 k = 0.5000 0.2887 0.1544 ( 3818 PWs) bands (ev): -31.3190 -31.3190 -12.6030 -12.6030 -12.2396 -12.2396 -12.2121 -12.2121 1.1821 1.1821 1.6945 1.6945 1.9418 1.9418 1.9701 1.9701 1.9996 1.9996 2.0478 2.0478 2.0679 2.0679 2.0783 2.0783 2.1423 2.1423 2.1766 2.1766 2.3757 2.3757 2.4239 2.4239 2.5476 2.5476 2.5984 2.5984 2.6450 2.6450 2.6746 2.6746 2.7124 2.7124 2.7429 2.7429 2.7736 2.7736 2.8186 2.8186 2.8639 2.8639 2.8747 2.8747 2.8794 2.8794 2.9650 2.9650 3.0468 3.0468 3.1525 3.1525 3.2932 3.2932 6.8204 6.8204 7.5804 7.5804 8.4878 8.4878 9.7277 9.7277 11.5938 11.5938 11.9931 11.9931 12.1356 12.1356 12.9315 12.9315 13.6029 13.6029 13.6978 13.6978 14.7442 14.7442 k = 0.5000 0.2887 0.1372 ( 3802 PWs) bands (ev): -31.3191 -31.3191 -12.6028 -12.6028 -12.2397 -12.2397 -12.2114 -12.2114 1.1675 1.1675 1.7033 1.7033 1.9387 1.9387 1.9680 1.9680 2.0035 2.0035 2.0437 2.0437 2.0580 2.0580 2.0696 2.0696 2.1370 2.1370 2.1701 2.1701 2.3750 2.3750 2.4237 2.4237 2.5565 2.5565 2.5996 2.5996 2.6506 2.6506 2.6800 2.6800 2.7138 2.7138 2.7411 2.7411 2.7791 2.7791 2.8165 2.8165 2.8633 2.8633 2.8732 2.8732 2.8767 2.8767 2.9531 2.9531 3.0446 3.0446 3.1595 3.1595 3.2761 3.2761 6.7964 6.7964 7.5505 7.5505 8.6566 8.6566 9.9128 9.9128 11.5737 11.5737 11.9680 11.9680 12.2504 12.2504 12.7534 12.7534 13.5233 13.5233 13.6865 13.6865 14.6538 14.6538 k = 0.5000 0.2887 0.1201 ( 3804 PWs) bands (ev): -31.3191 -31.3191 -12.6026 -12.6026 -12.2398 -12.2398 -12.2108 -12.2108 1.1545 1.1545 1.7126 1.7126 1.9358 1.9358 1.9651 1.9651 2.0064 2.0064 2.0387 2.0387 2.0453 2.0453 2.0670 2.0670 2.1321 2.1321 2.1638 2.1638 2.3750 2.3750 2.4228 2.4228 2.5651 2.5651 2.6007 2.6007 2.6559 2.6559 2.6846 2.6846 2.7154 2.7154 2.7400 2.7400 2.7846 2.7846 2.8145 2.8145 2.8619 2.8619 2.8717 2.8717 2.8741 2.8741 2.9414 2.9414 3.0427 3.0427 3.1657 3.1657 3.2616 3.2616 6.7753 6.7753 7.5240 7.5240 8.8214 8.8214 10.0972 10.0972 11.5558 11.5558 11.9357 11.9357 12.3595 12.3595 12.5755 12.5755 13.4326 13.4326 13.6786 13.6786 14.5740 14.5740 k = 0.5000 0.2887 0.1029 ( 3804 PWs) bands (ev): -31.3192 -31.3192 -12.6025 -12.6025 -12.2399 -12.2399 -12.2103 -12.2103 1.1431 1.1431 1.7223 1.7223 1.9331 1.9331 1.9610 1.9610 2.0059 2.0059 2.0319 2.0319 2.0396 2.0396 2.0650 2.0650 2.1278 2.1278 2.1578 2.1578 2.3756 2.3756 2.4214 2.4214 2.5733 2.5733 2.6018 2.6018 2.6611 2.6611 2.6881 2.6881 2.7167 2.7167 2.7401 2.7401 2.7901 2.7901 2.8129 2.8129 2.8600 2.8600 2.8703 2.8703 2.8714 2.8714 2.9304 2.9304 3.0412 3.0412 3.1711 3.1711 3.2494 3.2494 6.7571 6.7571 7.5010 7.5010 8.9800 8.9800 10.2800 10.2800 11.5402 11.5402 11.8949 11.8949 12.4023 12.4023 12.4617 12.4617 13.3353 13.3353 13.6725 13.6725 14.5086 14.5086 k = 0.5000 0.2887 0.0858 ( 3802 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2400 -12.2400 -12.2098 -12.2098 1.1334 1.1334 1.7321 1.7321 1.9306 1.9306 1.9551 1.9551 2.0006 2.0006 2.0295 2.0295 2.0375 2.0375 2.0631 2.0631 2.1242 2.1242 2.1522 2.1522 2.3765 2.3765 2.4198 2.4198 2.5807 2.5807 2.6028 2.6028 2.6664 2.6664 2.6903 2.6903 2.7170 2.7170 2.7421 2.7421 2.7956 2.7956 2.8116 2.8116 2.8580 2.8580 2.8682 2.8682 2.8689 2.8689 2.9203 2.9203 3.0400 3.0400 3.1758 3.1758 3.2394 3.2394 6.7416 6.7416 7.4815 7.4815 9.1294 9.1294 10.4599 10.4599 11.5269 11.5269 11.8437 11.8437 12.2392 12.2392 12.5545 12.5545 13.2377 13.2377 13.6675 13.6675 14.4571 14.4571 k = 0.5000 0.2887 0.0686 ( 3812 PWs) bands (ev): -31.3192 -31.3192 -12.6023 -12.6023 -12.2401 -12.2401 -12.2095 -12.2095 1.1253 1.1253 1.7417 1.7417 1.9282 1.9282 1.9474 1.9474 1.9941 1.9941 2.0295 2.0295 2.0376 2.0376 2.0611 2.0611 2.1212 2.1212 2.1471 2.1471 2.3778 2.3778 2.4179 2.4179 2.5870 2.5870 2.6036 2.6036 2.6716 2.6716 2.6914 2.6914 2.7158 2.7158 2.7455 2.7455 2.8008 2.8008 2.8110 2.8110 2.8562 2.8562 2.8642 2.8642 2.8675 2.8675 2.9115 2.9115 3.0390 3.0390 3.1796 3.1796 3.2315 3.2315 6.7289 6.7289 7.4654 7.4654 9.2655 9.2655 10.6352 10.6352 11.5160 11.5160 11.7804 11.7804 12.0906 12.0906 12.6362 12.6362 13.1462 13.1462 13.6635 13.6635 14.4175 14.4175 k = 0.5000 0.2887 0.0515 ( 3804 PWs) bands (ev): -31.3192 -31.3192 -12.6022 -12.6022 -12.2402 -12.2402 -12.2092 -12.2092 1.1190 1.1190 1.7505 1.7505 1.9261 1.9261 1.9392 1.9392 1.9895 1.9895 2.0289 2.0289 2.0403 2.0403 2.0590 2.0590 2.1190 2.1190 2.1428 2.1428 2.3791 2.3791 2.4162 2.4162 2.5922 2.5922 2.6042 2.6042 2.6769 2.6769 2.6918 2.6918 2.7136 2.7136 2.7496 2.7496 2.8048 2.8048 2.8122 2.8122 2.8548 2.8548 2.8592 2.8592 2.8662 2.8662 2.9046 2.9046 3.0383 3.0383 3.1826 3.1826 3.2254 3.2254 6.7191 6.7191 7.4529 7.4529 9.3828 9.3828 10.8028 10.8028 11.5074 11.5074 11.7043 11.7043 11.9629 11.9629 12.7044 12.7044 13.0678 13.0678 13.6602 13.6602 14.3842 14.3842 k = 0.5000 0.2887 0.0343 ( 3804 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2402 -12.2402 -12.2090 -12.2090 1.1145 1.1145 1.7578 1.7578 1.9233 1.9233 1.9327 1.9327 1.9866 1.9866 2.0281 2.0281 2.0437 2.0437 2.0567 2.0567 2.1174 2.1174 2.1395 2.1395 2.3803 2.3803 2.4147 2.4147 2.5961 2.5961 2.6045 2.6045 2.6818 2.6818 2.6917 2.6917 2.7108 2.7108 2.7531 2.7531 2.8063 2.8063 2.8164 2.8164 2.8532 2.8532 2.8540 2.8540 2.8651 2.8651 2.8998 2.8998 3.0379 3.0379 3.1848 3.1848 3.2212 3.2212 6.7121 6.7121 7.4439 7.4439 9.4746 9.4746 10.9574 10.9574 11.5013 11.5013 11.6174 11.6174 11.8634 11.8634 12.7559 12.7559 13.0078 13.0078 13.6578 13.6578 14.3482 14.3482 k = 0.5000 0.2887 0.0172 ( 3810 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2403 -12.2403 -12.2088 -12.2088 1.1118 1.1118 1.7628 1.7628 1.9200 1.9200 1.9295 1.9295 1.9850 1.9850 2.0275 2.0275 2.0472 2.0472 2.0542 2.0542 2.1165 2.1165 2.1373 2.1373 2.3811 2.3811 2.4136 2.4136 2.5987 2.5987 2.6045 2.6045 2.6858 2.6858 2.6914 2.6914 2.7082 2.7082 2.7555 2.7555 2.8065 2.8065 2.8215 2.8215 2.8475 2.8475 2.8533 2.8533 2.8642 2.8642 2.8970 2.8970 3.0375 3.0375 3.1861 3.1861 3.2187 3.2187 6.7079 6.7079 7.4385 7.4385 9.5337 9.5337 11.0848 11.0848 11.4976 11.4976 11.5314 11.5314 11.7995 11.7995 12.7882 12.7882 12.9703 12.9703 13.6563 13.6563 14.3232 14.3232 k = 0.5000 0.2887-0.0000 ( 3806 PWs) bands (ev): -31.3192 -31.3192 -12.6021 -12.6021 -12.2403 -12.2403 -12.2088 -12.2088 1.1109 1.1109 1.7645 1.7645 1.9185 1.9185 1.9287 1.9287 1.9846 1.9846 2.0273 2.0273 2.0495 2.0495 2.0524 2.0524 2.1162 2.1162 2.1366 2.1366 2.3814 2.3814 2.4133 2.4133 2.5997 2.5997 2.6044 2.6044 2.6877 2.6877 2.6910 2.6910 2.7071 2.7071 2.7563 2.7563 2.8065 2.8065 2.8241 2.8241 2.8447 2.8447 2.8532 2.8532 2.8640 2.8640 2.8961 2.8961 3.0375 3.0375 3.1866 3.1866 3.2178 3.2178 6.7065 6.7065 7.4368 7.4368 9.5542 9.5542 11.1427 11.1427 11.4874 11.4874 11.4965 11.4965 11.7775 11.7775 12.7993 12.7993 12.9576 12.9576 13.6558 13.6558 14.3145 14.3145 k = 0.3333 0.5774-0.0000 ( 3807 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2407 -12.2407 -12.2091 -12.2091 1.4426 1.4426 1.4799 1.4799 1.9302 1.9302 1.9824 1.9824 1.9841 1.9841 2.0102 2.0102 2.0192 2.0192 2.0575 2.0575 2.0810 2.0810 2.1499 2.1499 2.3960 2.3960 2.5096 2.5096 2.5586 2.5586 2.6314 2.6314 2.6532 2.6532 2.6873 2.6873 2.7168 2.7168 2.7454 2.7454 2.7608 2.7608 2.7833 2.7833 2.8270 2.8270 2.8414 2.8414 2.8724 2.8724 2.9071 2.9071 3.1717 3.1717 3.2408 3.2408 3.2972 3.2972 5.1611 5.1611 10.2502 10.2502 10.2536 10.2536 10.2849 10.2849 10.2853 10.2853 10.8091 10.8091 12.1849 12.1849 12.1927 12.1927 13.4851 13.4851 14.2393 14.2393 14.2436 14.2436 k = 0.3333 0.5774 0.0172 ( 3801 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2407 -12.2407 -12.2091 -12.2091 1.4430 1.4430 1.4803 1.4803 1.9301 1.9301 1.9832 1.9832 1.9833 1.9833 2.0123 2.0123 2.0175 2.0175 2.0593 2.0593 2.0813 2.0813 2.1505 2.1505 2.3962 2.3962 2.5093 2.5093 2.5578 2.5578 2.6300 2.6300 2.6539 2.6539 2.6862 2.6862 2.7158 2.7158 2.7447 2.7447 2.7627 2.7627 2.7835 2.7835 2.8264 2.8264 2.8416 2.8416 2.8734 2.8734 2.9078 2.9078 3.1713 3.1713 3.2410 3.2410 3.2975 3.2975 5.1631 5.1631 10.2274 10.2274 10.2285 10.2285 10.2858 10.2858 10.2899 10.2899 10.8078 10.8078 12.2075 12.2075 12.2152 12.2152 13.4803 13.4803 14.2343 14.2343 14.2381 14.2381 k = 0.3333 0.5774 0.0343 ( 3801 PWs) bands (ev): -31.3192 -31.3192 -12.6024 -12.6024 -12.2406 -12.2406 -12.2092 -12.2092 1.4442 1.4442 1.4813 1.4813 1.9297 1.9297 1.9809 1.9809 1.9854 1.9854 2.0134 2.0134 2.0178 2.0178 2.0630 2.0630 2.0825 2.0825 2.1524 2.1524 2.3968 2.3968 2.5082 2.5082 2.5556 2.5556 2.6264 2.6264 2.6554 2.6554 2.6828 2.6828 2.7134 2.7134 2.7425 2.7425 2.7674 2.7674 2.7843 2.7843 2.8250 2.8250 2.8422 2.8422 2.8763 2.8763 2.9101 2.9101 3.1703 3.1703 3.2414 3.2414 3.2985 3.2985 5.1691 5.1691 10.1599 10.1599 10.1646 10.1646 10.2892 10.2892 10.2967 10.2967 10.8039 10.8039 12.2719 12.2719 12.2793 12.2793 13.4658 13.4658 14.2215 14.2215 14.2243 14.2243 k = 0.3333 0.5774 0.0515 ( 3801 PWs) bands (ev): -31.3192 -31.3192 -12.6025 -12.6025 -12.2406 -12.2406 -12.2094 -12.2094 1.4461 1.4461 1.4830 1.4830 1.9293 1.9293 1.9785 1.9785 1.9876 1.9876 2.0096 2.0096 2.0256 2.0256 2.0661 2.0661 2.0858 2.0858 2.1554 2.1554 2.3978 2.3978 2.5065 2.5065 2.5518 2.5518 2.6211 2.6211 2.6567 2.6567 2.6776 2.6776 2.7114 2.7114 2.7390 2.7390 2.7731 2.7731 2.7860 2.7860 2.8230 2.8230 2.8432 2.8432 2.8806 2.8806 2.9137 2.9137 3.1687 3.1687 3.2421 3.2421 3.3002 3.3002 5.1791 5.1791 10.0593 10.0593 10.0656 10.0656 10.2959 10.2959 10.3047 10.3047 10.7972 10.7972 12.3699 12.3699 12.3768 12.3768 13.4415 13.4415 14.2055 14.2055 14.2075 14.2075 k = 0.3333 0.5774 0.0686 ( 3801 PWs) bands (ev): -31.3192 -31.3192 -12.6026 -12.6026 -12.2405 -12.2405 -12.2097 -12.2097 1.4487 1.4487 1.4854 1.4854 1.9291 1.9291 1.9765 1.9765 1.9872 1.9872 2.0096 2.0096 2.0351 2.0351 2.0672 2.0672 2.0919 2.0919 2.1594 2.1594 2.3992 2.3992 2.5042 2.5042 2.5467 2.5467 2.6145 2.6145 2.6563 2.6563 2.6724 2.6724 2.7101 2.7101 2.7342 2.7342 2.7781 2.7781 2.7893 2.7893 2.8210 2.8210 2.8445 2.8445 2.8857 2.8857 2.9185 2.9185 3.1663 3.1663 3.2431 3.2431 3.3026 3.3026 5.1931 5.1931 9.9334 9.9334 9.9405 9.9405 10.3055 10.3055 10.3150 10.3150 10.7873 10.7873 12.4914 12.4914 12.4975 12.4975 13.4073 13.4073 14.1901 14.1901 14.1916 14.1916 k = 0.3333 0.5774 0.0858 ( 3783 PWs) bands (ev): -31.3191 -31.3191 -12.6026 -12.6026 -12.2404 -12.2404 -12.2100 -12.2100 1.4522 1.4522 1.4885 1.4885 1.9291 1.9291 1.9752 1.9752 1.9831 1.9831 2.0145 2.0145 2.0459 2.0459 2.0669 2.0669 2.0999 2.0999 2.1644 2.1644 2.4009 2.4009 2.5014 2.5014 2.5401 2.5401 2.6069 2.6069 2.6530 2.6530 2.6695 2.6695 2.7096 2.7096 2.7284 2.7284 2.7817 2.7817 2.7943 2.7943 2.8192 2.8192 2.8464 2.8464 2.8914 2.8914 2.9243 2.9243 3.1633 3.1633 3.2447 3.2447 3.3058 3.3058 5.2110 5.2110 9.7894 9.7894 9.7970 9.7970 10.3179 10.3179 10.3277 10.3277 10.7740 10.7740 12.6267 12.6267 12.6318 12.6318 13.3637 13.3637 14.1783 14.1783 14.1800 14.1800 k = 0.3333 0.5774 0.1029 ( 3789 PWs) bands (ev): -31.3191 -31.3191 -12.6027 -12.6027 -12.2403 -12.2403 -12.2105 -12.2105 1.4563 1.4563 1.4922 1.4922 1.9293 1.9293 1.9746 1.9746 1.9774 1.9774 2.0224 2.0224 2.0577 2.0577 2.0657 2.0657 2.1086 2.1086 2.1701 2.1701 2.4029 2.4029 2.4979 2.4979 2.5322 2.5322 2.5981 2.5981 2.6472 2.6472 2.6687 2.6687 2.7093 2.7093 2.7216 2.7216 2.7843 2.7843 2.8003 2.8003 2.8175 2.8175 2.8488 2.8488 2.8973 2.8973 2.9308 2.9308 3.1595 3.1595 3.2469 3.2469 3.3098 3.3098 5.2329 5.2329 9.6330 9.6330 9.6410 9.6410 10.3331 10.3331 10.3431 10.3431 10.7565 10.7565 12.7669 12.7669 12.7706 12.7706 13.3118 13.3118 14.1734 14.1734 14.1755 14.1755 k = 0.3333 0.5774 0.1201 ( 3789 PWs) bands (ev): -31.3191 -31.3191 -12.6029 -12.6029 -12.2402 -12.2402 -12.2110 -12.2110 1.4612 1.4612 1.4966 1.4966 1.9297 1.9297 1.9714 1.9714 1.9747 1.9747 2.0318 2.0318 2.0645 2.0645 2.0705 2.0705 2.1175 2.1175 2.1765 2.1765 2.4052 2.4052 2.4941 2.4941 2.5230 2.5230 2.5883 2.5883 2.6410 2.6410 2.6688 2.6688 2.7093 2.7093 2.7142 2.7142 2.7866 2.7866 2.8064 2.8064 2.8162 2.8162 2.8516 2.8516 2.9033 2.9033 2.9378 2.9378 3.1550 3.1550 3.2498 3.2498 3.3147 3.3147 5.2587 5.2587 9.4683 9.4683 9.4766 9.4766 10.3510 10.3510 10.3611 10.3611 10.7342 10.7342 12.9034 12.9034 12.9054 12.9054 13.2536 13.2536 14.1790 14.1790 14.1820 14.1820 k = 0.3333 0.5774 0.1372 ( 3804 PWs) bands (ev): -31.3191 -31.3191 -12.6031 -12.6031 -12.2402 -12.2402 -12.2116 -12.2116 1.4668 1.4668 1.5017 1.5017 1.9302 1.9302 1.9660 1.9660 1.9755 1.9755 2.0416 2.0416 2.0638 2.0638 2.0840 2.0840 2.1263 2.1263 2.1835 2.1835 2.4076 2.4076 2.4900 2.4900 2.5126 2.5126 2.5779 2.5779 2.6351 2.6351 2.6689 2.6689 2.7063 2.7063 2.7092 2.7092 2.7889 2.7889 2.8123 2.8123 2.8151 2.8151 2.8550 2.8550 2.9092 2.9092 2.9451 2.9451 3.1498 3.1498 3.2536 3.2536 3.3206 3.3206 5.2883 5.2883 9.2982 9.2982 9.3067 9.3067 10.3715 10.3715 10.3818 10.3818 10.7063 10.7063 13.0275 13.0275 13.0276 13.0276 13.1915 13.1915 14.1992 14.1992 14.2032 14.2032 k = 0.3333 0.5774 0.1544 ( 3807 PWs) bands (ev): -31.3190 -31.3190 -12.6033 -12.6033 -12.2400 -12.2400 -12.2123 -12.2123 1.4731 1.4731 1.5074 1.5074 1.9303 1.9303 1.9616 1.9616 1.9769 1.9769 2.0498 2.0498 2.0653 2.0653 2.0981 2.0981 2.1348 2.1348 2.1911 2.1911 2.4098 2.4098 2.4860 2.4860 2.5013 2.5013 2.5674 2.5674 2.6299 2.6299 2.6690 2.6690 2.6983 2.6983 2.7091 2.7091 2.7912 2.7912 2.8142 2.8142 2.8179 2.8179 2.8590 2.8590 2.9150 2.9150 2.9525 2.9525 3.1438 3.1438 3.2585 3.2585 3.3276 3.3276 5.3218 5.3218 9.1248 9.1248 9.1334 9.1334 10.3946 10.3946 10.4051 10.4051 10.6720 10.6720 13.1257 13.1257 13.1312 13.1312 13.1316 13.1316 14.2370 14.2370 14.2414 14.2414 k = 0.3333 0.5774 0.1716 ( 3807 PWs) bands (ev): -31.3190 -31.3190 -12.6035 -12.6035 -12.2399 -12.2399 -12.2130 -12.2130 1.4801 1.4801 1.5138 1.5138 1.9296 1.9296 1.9590 1.9590 1.9790 1.9790 2.0531 2.0531 2.0723 2.0723 2.1126 2.1126 2.1427 2.1427 2.1994 2.1994 2.4114 2.4114 2.4826 2.4826 2.4891 2.4891 2.5570 2.5570 2.6252 2.6252 2.6691 2.6691 2.6902 2.6902 2.7090 2.7090 2.7933 2.7933 2.8134 2.8134 2.8230 2.8230 2.8636 2.8636 2.9207 2.9207 2.9599 2.9599 3.1371 3.1371 3.2646 3.2646 3.3358 3.3358 5.3591 5.3591 8.9495 8.9495 8.9583 8.9583 10.4204 10.4204 10.4310 10.4310 10.6305 10.6305 13.0671 13.0671 13.2040 13.2040 13.2084 13.2084 14.2623 14.2623 14.2925 14.2925 k = 0.3333 0.5774 0.1887 ( 3807 PWs) bands (ev): -31.3189 -31.3189 -12.6037 -12.6037 -12.2397 -12.2397 -12.2138 -12.2138 1.4878 1.4878 1.5207 1.5207 1.9277 1.9277 1.9585 1.9585 1.9817 1.9817 2.0531 2.0531 2.0829 2.0829 2.1271 2.1271 2.1499 2.1499 2.2081 2.2081 2.4119 2.4119 2.4763 2.4763 2.4803 2.4803 2.5472 2.5472 2.6210 2.6210 2.6690 2.6690 2.6825 2.6825 2.7088 2.7088 2.7954 2.7954 2.8127 2.8127 2.8277 2.8277 2.8687 2.8687 2.9261 2.9261 2.9671 2.9671 3.1297 3.1297 3.2724 3.2724 3.3453 3.3453 5.4001 5.4001 8.7735 8.7735 8.7824 8.7824 10.4486 10.4486 10.4595 10.4595 10.5812 10.5812 13.0105 13.0105 13.2515 13.2515 13.2574 13.2574 14.2548 14.2548 14.3602 14.3602 k = 0.3333 0.5774 0.2059 ( 3816 PWs) bands (ev): -31.3189 -31.3189 -12.6039 -12.6039 -12.2396 -12.2396 -12.2146 -12.2146 1.4961 1.4961 1.5284 1.5284 1.9247 1.9247 1.9601 1.9601 1.9849 1.9849 2.0523 2.0523 2.0943 2.0943 2.1416 2.1416 2.1561 2.1561 2.2173 2.2173 2.4106 2.4106 2.4631 2.4631 2.4798 2.4798 2.5382 2.5382 2.6172 2.6172 2.6689 2.6689 2.6751 2.6751 2.7085 2.7085 2.7972 2.7972 2.8121 2.8121 2.8319 2.8319 2.8741 2.8741 2.9313 2.9313 2.9740 2.9740 3.1216 3.1216 3.2820 3.2820 3.3564 3.3564 5.4448 5.4448 8.5976 8.5976 8.6065 8.6065 10.4789 10.4789 10.4904 10.4904 10.5238 10.5238 12.9605 12.9605 13.2742 13.2742 13.2810 13.2810 14.2517 14.2517 14.4315 14.4315 k = 0.3333 0.5774 0.2230 ( 3816 PWs) bands (ev): -31.3188 -31.3188 -12.6042 -12.6042 -12.2394 -12.2394 -12.2155 -12.2155 1.5050 1.5050 1.5366 1.5366 1.9212 1.9212 1.9632 1.9632 1.9885 1.9885 2.0514 2.0514 2.1056 2.1056 2.1558 2.1558 2.1613 2.1613 2.2268 2.2268 2.4069 2.4069 2.4500 2.4500 2.4814 2.4814 2.5302 2.5302 2.6138 2.6138 2.6686 2.6686 2.6688 2.6688 2.7082 2.7082 2.7988 2.7988 2.8115 2.8115 2.8357 2.8357 2.8796 2.8796 2.9363 2.9363 2.9805 2.9805 3.1129 3.1129 3.2937 3.2937 3.3692 3.3692 5.4931 5.4931 8.4222 8.4222 8.4312 8.4312 10.4559 10.4559 10.5134 10.5134 10.5238 10.5238 12.9188 12.9188 13.2770 13.2770 13.2842 13.2842 14.2525 14.2525 14.4986 14.4986 k = 0.3333 0.5774 0.2402 ( 3816 PWs) bands (ev): -31.3188 -31.3188 -12.6044 -12.6044 -12.2392 -12.2392 -12.2164 -12.2164 1.5146 1.5146 1.5454 1.5454 1.9174 1.9174 1.9675 1.9675 1.9925 1.9925 2.0504 2.0504 2.1162 2.1162 2.1651 2.1651 2.1693 2.1693 2.2364 2.2364 2.4010 2.4010 2.4373 2.4373 2.4850 2.4850 2.5235 2.5235 2.6109 2.6109 2.6631 2.6631 2.6686 2.6686 2.7080 2.7080 2.8002 2.8002 2.8109 2.8109 2.8391 2.8391 2.8852 2.8852 2.9410 2.9410 2.9866 2.9866 3.1037 3.1037 3.3080 3.3080 3.3839 3.3839 5.5450 5.5450 8.2480 8.2480 8.2571 8.2571 10.3809 10.3809 10.5487 10.5487 10.5595 10.5595 12.8867 12.8867 13.2648 13.2648 13.2720 13.2720 14.2567 14.2567 14.5585 14.5585 k = 0.3333 0.5774 0.2573 ( 3792 PWs) bands (ev): -31.3187 -31.3187 -12.6046 -12.6046 -12.2390 -12.2390 -12.2172 -12.2172 1.5249 1.5249 1.5549 1.5549 1.9138 1.9138 1.9728 1.9728 1.9970 1.9970 2.0496 2.0496 2.1260 2.1260 2.1676 2.1676 2.1821 2.1821 2.2459 2.2459 2.3932 2.3932 2.4255 2.4255 2.4901 2.4901 2.5182 2.5182 2.6084 2.6084 2.6591 2.6591 2.6686 2.6686 2.7078 2.7078 2.8014 2.8014 2.8104 2.8104 2.8422 2.8422 2.8906 2.8906 2.9456 2.9456 2.9921 2.9921 3.0940 3.0940 3.3251 3.3251 3.4007 3.4007 5.6004 5.6004 8.0754 8.0754 8.0844 8.0844 10.2971 10.2971 10.5865 10.5865 10.5977 10.5977 12.8646 12.8646 13.2415 13.2415 13.2485 13.2485 14.2636 14.2636 14.6111 14.6111 k = 0.3333 0.5774 0.2745 ( 3798 PWs) bands (ev): -31.3186 -31.3186 -12.6049 -12.6049 -12.2388 -12.2388 -12.2182 -12.2182 1.5356 1.5356 1.5649 1.5649 1.9102 1.9102 1.9787 1.9787 2.0016 2.0016 2.0488 2.0488 2.1343 2.1343 2.1685 2.1685 2.1940 2.1940 2.2547 2.2547 2.3837 2.3837 2.4152 2.4152 2.4957 2.4957 2.5144 2.5144 2.6062 2.6062 2.6567 2.6567 2.6684 2.6684 2.7076 2.7076 2.8023 2.8023 2.8099 2.8099 2.8449 2.8449 2.8957 2.8957 2.9498 2.9498 2.9967 2.9967 3.0838 3.0838 3.3454 3.3454 3.4199 3.4199 5.6592 5.6592 7.9045 7.9045 7.9136 7.9136 10.2053 10.2053 10.6266 10.6266 10.6380 10.6380 12.8529 12.8529 13.2099 13.2099 13.2165 13.2165 14.2728 14.2728 14.6579 14.6579 k = 0.3333 0.5774 0.2916 ( 3810 PWs) bands (ev): -31.3186 -31.3186 -12.6052 -12.6052 -12.2387 -12.2387 -12.2192 -12.2192 1.5469 1.5469 1.5754 1.5754 1.9070 1.9070 1.9851 1.9851 2.0063 2.0063 2.0482 2.0482 2.1411 2.1411 2.1676 2.1676 2.2048 2.2048 2.2621 2.2621 2.3731 2.3731 2.4071 2.4071 2.5011 2.5011 2.5122 2.5122 2.6044 2.6044 2.6564 2.6564 2.6682 2.6682 2.7075 2.7075 2.8029 2.8029 2.8094 2.8094 2.8472 2.8472 2.9003 2.9003 2.9538 2.9538 3.0003 3.0003 3.0733 3.0733 3.3692 3.3692 3.4417 3.4417 5.7214 5.7214 7.7357 7.7357 7.7448 7.7448 10.1061 10.1061 10.6689 10.6689 10.6805 10.6805 12.8514 12.8514 13.1721 13.1721 13.1782 13.1782 14.2836 14.2836 14.7010 14.7010 k = 0.3333 0.5774 0.3088 ( 3810 PWs) bands (ev): -31.3185 -31.3185 -12.6055 -12.6055 -12.2385 -12.2385 -12.2202 -12.2202 1.5588 1.5588 1.5865 1.5865 1.9042 1.9042 1.9920 1.9920 2.0111 2.0111 2.0478 2.0478 2.1461 2.1461 2.1651 2.1651 2.2145 2.2145 2.2675 2.2675 2.3616 2.3616 2.4021 2.4021 2.5055 2.5055 2.5117 2.5117 2.6030 2.6030 2.6584 2.6584 2.6680 2.6680 2.7076 2.7076 2.8034 2.8034 2.8091 2.8091 2.8493 2.8493 2.9044 2.9044 2.9575 2.9575 3.0029 3.0029 3.0628 3.0628 3.3967 3.3967 3.4664 3.4664 5.7869 5.7869 7.5692 7.5692 7.5782 7.5782 10.0003 10.0003 10.7133 10.7133 10.7251 10.7251 12.8596 12.8596 13.1295 13.1295 13.1350 13.1350 14.2959 14.2959 14.7414 14.7414 k = 0.3333 0.5774 0.3260 ( 3801 PWs) bands (ev): -31.3184 -31.3184 -12.6058 -12.6058 -12.2382 -12.2382 -12.2211 -12.2211 1.5712 1.5712 1.5981 1.5981 1.9019 1.9019 1.9994 1.9994 2.0159 2.0159 2.0476 2.0476 2.1493 2.1493 2.1609 2.1609 2.2232 2.2232 2.2703 2.2703 2.3497 2.3497 2.4006 2.4006 2.5086 2.5086 2.5130 2.5130 2.6020 2.6020 2.6627 2.6627 2.6678 2.6678 2.7079 2.7079 2.8035 2.8035 2.8091 2.8091 2.8510 2.8510 2.9081 2.9081 2.9611 2.9611 3.0041 3.0041 3.0524 3.0524 3.4283 3.4283 3.4942 3.4942 5.8557 5.8557 7.4052 7.4052 7.4142 7.4142 9.8890 9.8890 10.7596 10.7596 10.7718 10.7718 12.8770 12.8770 13.0832 13.0832 13.0881 13.0881 14.3091 14.3091 14.7799 14.7799 k = 0.3333 0.5774 0.3431 ( 3801 PWs) bands (ev): -31.3184 -31.3184 -12.6061 -12.6061 -12.2380 -12.2380 -12.2220 -12.2220 1.5841 1.5841 1.6101 1.6101 1.8999 1.8999 2.0071 2.0071 2.0204 2.0204 2.0476 2.0476 2.1499 2.1499 2.1556 2.1556 2.2306 2.2306 2.2703 2.2703 2.3375 2.3375 2.4029 2.4029 2.5100 2.5100 2.5160 2.5160 2.6013 2.6013 2.6676 2.6676 2.6690 2.6690 2.7084 2.7084 2.8035 2.8035 2.8094 2.8094 2.8524 2.8524 2.9112 2.9112 2.9643 2.9643 3.0035 3.0035 3.0427 3.0427 3.4638 3.4638 3.5254 3.5254 5.9276 5.9276 7.2439 7.2439 7.2528 7.2528 9.7728 9.7728 10.8079 10.8079 10.8203 10.8203 12.9031 12.9031 13.0339 13.0339 13.0380 13.0380 14.3230 14.3230 14.8171 14.8171 k = 0.3333 0.5774 0.3603 ( 3801 PWs) bands (ev): -31.3183 -31.3183 -12.6064 -12.6064 -12.2378 -12.2378 -12.2230 -12.2230 1.5975 1.5975 1.6227 1.6227 1.8984 1.8984 2.0150 2.0150 2.0247 2.0247 2.0478 2.0478 2.1455 2.1455 2.1517 2.1517 2.2369 2.2369 2.2680 2.2680 2.3253 2.3253 2.4085 2.4085 2.5100 2.5100 2.5205 2.5205 2.6009 2.6009 2.6674 2.6674 2.6765 2.6765 2.7091 2.7091 2.8031 2.8031 2.8102 2.8102 2.8535 2.8535 2.9138 2.9138 2.9674 2.9674 3.0004 3.0004 3.0344 3.0344 3.5036 3.5036 3.5602 3.5602 6.0026 6.0026 7.0855 7.0855 7.0943 7.0943 9.6529 9.6529 10.8579 10.8579 10.8707 10.8707 12.9368 12.9368 12.9822 12.9822 12.9854 12.9854 14.3372 14.3372 14.8531 14.8531 k = 0.3333 0.5774 0.3774 ( 3801 PWs) bands (ev): -31.3182 -31.3182 -12.6067 -12.6067 -12.2376 -12.2376 -12.2239 -12.2239 1.6113 1.6113 1.6356 1.6356 1.8974 1.8974 2.0230 2.0230 2.0284 2.0284 2.0482 2.0482 2.1369 2.1369 2.1487 2.1487 2.2420 2.2420 2.2642 2.2642 2.3136 2.3136 2.4165 2.4165 2.5086 2.5086 2.5265 2.5265 2.6007 2.6007 2.6671 2.6671 2.6847 2.6847 2.7101 2.7101 2.8026 2.8026 2.8117 2.8117 2.8543 2.8543 2.9161 2.9161 2.9702 2.9702 2.9943 2.9943 3.0279 3.0279 3.5474 3.5474 3.5987 3.5987 6.0806 6.0806 6.9300 6.9300 6.9387 6.9387 9.5298 9.5298 10.9095 10.9095 10.9227 10.9227 12.9276 12.9276 12.9306 12.9306 12.9786 12.9786 14.3513 14.3513 14.8882 14.8882 k = 0.3333 0.5774 0.3946 ( 3801 PWs) bands (ev): -31.3182 -31.3182 -12.6069 -12.6069 -12.2375 -12.2375 -12.2248 -12.2248 1.6256 1.6256 1.6489 1.6489 1.8967 1.8967 2.0308 2.0308 2.0316 2.0316 2.0492 2.0492 2.1264 2.1264 2.1444 2.1444 2.2457 2.2457 2.2594 2.2594 2.3028 2.3028 2.4262 2.4262 2.5062 2.5062 2.5338 2.5338 2.6009 2.6009 2.6668 2.6668 2.6928 2.6928 2.7113 2.7113 2.8017 2.8017 2.8140 2.8140 2.8547 2.8547 2.9178 2.9178 2.9728 2.9728 2.9858 2.9858 3.0233 3.0233 3.5953 3.5953 3.6412 3.6412 6.1615 6.1615 6.7777 6.7777 6.7863 6.7863 9.4044 9.4044 10.9627 10.9627 10.9764 10.9764 12.8721 12.8721 12.8741 12.8741 13.0262 13.0262 14.3650 14.3650 14.9227 14.9227 k = 0.3333 0.5774 0.4117 ( 3795 PWs) bands (ev): -31.3181 -31.3181 -12.6072 -12.6072 -12.2373 -12.2373 -12.2257 -12.2257 1.6402 1.6402 1.6626 1.6626 1.8965 1.8965 2.0338 2.0338 2.0377 2.0377 2.0515 2.0515 2.1147 2.1147 2.1387 2.1387 2.2475 2.2475 2.2541 2.2541 2.2936 2.2936 2.4368 2.4368 2.5032 2.5032 2.5423 2.5423 2.6012 2.6012 2.6664 2.6664 2.7001 2.7001 2.7128 2.7128 2.8007 2.8007 2.8172 2.8172 2.8547 2.8547 2.9191 2.9191 2.9752 2.9752 2.9760 2.9760 3.0196 3.0196 3.6472 3.6472 3.6875 3.6875 6.2452 6.2452 6.6288 6.6288 6.6373 6.6373 9.2773 9.2773 11.0173 11.0173 11.0314 11.0314 12.8151 12.8151 12.8161 12.8161 13.0798 13.0798 14.3780 14.3780 14.9565 14.9565 k = 0.3333 0.5774 0.4289 ( 3798 PWs) bands (ev): -31.3181 -31.3181 -12.6075 -12.6075 -12.2371 -12.2371 -12.2265 -12.2265 1.6552 1.6552 1.6765 1.6765 1.8967 1.8967 2.0349 2.0349 2.0423 2.0423 2.0562 2.0562 2.1017 2.1017 2.1318 2.1318 2.2472 2.2472 2.2487 2.2487 2.2868 2.2868 2.4477 2.4477 2.4996 2.4996 2.5518 2.5518 2.6017 2.6017 2.6659 2.6659 2.7063 2.7063 2.7144 2.7144 2.7994 2.7994 2.8213 2.8213 2.8543 2.8543 2.9197 2.9197 2.9659 2.9659 2.9775 2.9775 3.0161 3.0161 3.7028 3.7028 3.7378 3.7378 6.3316 6.3316 6.4836 6.4836 6.4919 6.4919 9.1492 9.1492 11.0730 11.0730 11.0878 11.0878 12.7568 12.7568 12.7568 12.7568 13.1388 13.1388 14.3897 14.3897 14.9896 14.9896 k = 0.3333 0.5774 0.4460 ( 3798 PWs) bands (ev): -31.3180 -31.3180 -12.6077 -12.6077 -12.2369 -12.2369 -12.2273 -12.2273 1.6705 1.6705 1.6907 1.6907 1.8973 1.8973 2.0348 2.0348 2.0446 2.0446 2.0633 2.0633 2.0879 2.0879 2.1241 2.1241 2.2432 2.2432 2.2444 2.2444 2.2829 2.2829 2.4587 2.4587 2.4958 2.4958 2.5621 2.5621 2.6023 2.6023 2.6653 2.6653 2.7112 2.7112 2.7162 2.7162 2.7979 2.7979 2.8261 2.8261 2.8533 2.8533 2.9193 2.9193 2.9566 2.9566 2.9795 2.9795 3.0125 3.0125 3.7620 3.7620 3.7918 3.7918 6.3421 6.3421 6.3497 6.3497 6.4212 6.4212 9.0205 9.0205 11.1297 11.1297 11.1452 11.1452 12.6966 12.6966 12.6977 12.6977 13.2024 13.2024 14.3999 14.3999 15.0221 15.0221 k = 0.3333 0.5774 0.4632 ( 3795 PWs) bands (ev): -31.3180 -31.3180 -12.6080 -12.6080 -12.2368 -12.2368 -12.2280 -12.2280 1.6861 1.6861 1.7051 1.7051 1.8982 1.8982 2.0332 2.0332 2.0457 2.0457 2.0704 2.0704 2.0746 2.0746 2.1160 2.1160 2.2376 2.2376 2.2399 2.2399 2.2814 2.2814 2.4694 2.4694 2.4919 2.4919 2.5731 2.5731 2.6031 2.6031 2.6646 2.6646 2.7147 2.7147 2.7181 2.7181 2.7962 2.7962 2.8315 2.8315 2.8518 2.8518 2.9172 2.9172 2.9492 2.9492 2.9812 2.9812 3.0087 3.0087 3.8243 3.8243 3.8494 3.8494 6.2048 6.2048 6.2125 6.2125 6.5125 6.5125 8.8918 8.8918 11.1872 11.1872 11.2036 11.2036 12.6357 12.6357 12.6380 12.6380 13.2701 13.2701 14.4080 14.4080 15.0539 15.0539 k = 0.3333 0.5774 0.4804 ( 3819 PWs) bands (ev): -31.3179 -31.3179 -12.6083 -12.6083 -12.2367 -12.2367 -12.2287 -12.2287 1.7018 1.7018 1.7194 1.7194 1.8995 1.8995 2.0300 2.0300 2.0462 2.0462 2.0578 2.0578 2.0805 2.0805 2.1079 2.1079 2.2318 2.2318 2.2349 2.2349 2.2812 2.2812 2.4794 2.4794 2.4880 2.4880 2.5846 2.5846 2.6039 2.6039 2.6638 2.6638 2.7171 2.7171 2.7198 2.7198 2.7943 2.7943 2.8372 2.8372 2.8493 2.8493 2.9128 2.9128 2.9447 2.9447 2.9828 2.9828 3.0046 3.0046 3.8894 3.8894 3.9101 3.9101 6.0721 6.0721 6.0795 6.0795 6.6063 6.6063 8.7635 8.7635 11.2451 11.2451 11.2625 11.2625 12.5744 12.5744 12.5779 12.5779 13.3412 13.3412 14.4133 14.4133 15.0848 15.0848 k = 0.3333 0.5774 0.4975 ( 3813 PWs) bands (ev): -31.3179 -31.3179 -12.6085 -12.6085 -12.2366 -12.2366 -12.2293 -12.2293 1.7177 1.7177 1.7339 1.7339 1.9009 1.9009 2.0253 2.0253 2.0409 2.0409 2.0482 2.0482 2.0881 2.0881 2.1010 2.1010 2.2259 2.2259 2.2304 2.2304 2.2819 2.2819 2.4842 2.4842 2.4889 2.4889 2.5967 2.5967 2.6049 2.6049 2.6630 2.6630 2.7186 2.7186 2.7214 2.7214 2.7925 2.7925 2.8429 2.8429 2.8460 2.8460 2.9068 2.9068 2.9431 2.9431 2.9842 2.9842 3.0004 3.0004 3.9567 3.9567 3.9734 3.9734 5.9445 5.9445 5.9515 5.9515 6.7023 6.7023 8.6362 8.6362 11.3032 11.3032 11.3217 11.3217 12.5130 12.5130 12.5180 12.5180 13.4149 13.4149 14.4154 14.4154 15.1148 15.1148 k = 0.3333 0.5774 0.5147 ( 3813 PWs) bands (ev): -31.3178 -31.3178 -12.6087 -12.6087 -12.2364 -12.2364 -12.2299 -12.2299 1.7336 1.7336 1.7480 1.7480 1.9026 1.9026 2.0192 2.0192 2.0255 2.0255 2.0482 2.0482 2.0884 2.0884 2.1019 2.1019 2.2198 2.2198 2.2268 2.2268 2.2827 2.2827 2.4807 2.4807 2.4974 2.4974 2.6060 2.6060 2.6092 2.6092 2.6620 2.6620 2.7193 2.7193 2.7225 2.7225 2.7905 2.7905 2.8416 2.8416 2.8483 2.8483 2.9006 2.9006 2.9433 2.9433 2.9855 2.9855 2.9958 2.9958 4.0255 4.0255 4.0387 4.0387 5.8227 5.8227 5.8292 5.8292 6.8000 6.8000 8.5103 8.5103 11.3608 11.3608 11.3808 11.3808 12.4520 12.4520 12.4588 12.4588 13.4904 13.4904 14.4134 14.4134 15.1435 15.1435 k = 0.3333 0.5774 0.5318 ( 3807 PWs) bands (ev): -31.3178 -31.3178 -12.6088 -12.6088 -12.2363 -12.2363 -12.2303 -12.2303 1.7493 1.7493 1.7618 1.7618 1.9044 1.9044 2.0097 2.0097 2.0120 2.0120 2.0486 2.0486 2.0821 2.0821 2.1098 2.1098 2.2135 2.2135 2.2240 2.2240 2.2836 2.2836 2.4774 2.4774 2.5050 2.5050 2.6072 2.6072 2.6220 2.6220 2.6610 2.6610 2.7196 2.7196 2.7229 2.7229 2.7886 2.7886 2.8363 2.8363 2.8533 2.8533 2.8951 2.8951 2.9446 2.9446 2.9865 2.9865 2.9912 2.9912 4.0948 4.0948 4.1048 4.1048 5.7077 5.7077 5.7137 5.7137 6.8992 6.8992 8.3865 8.3865 11.4174 11.4174 11.4391 11.4391 12.3921 12.3921 12.4008 12.4008 13.5666 13.5666 14.4067 14.4067 15.1706 15.1706 k = 0.3333 0.5774 0.5490 ( 3819 PWs) bands (ev): -31.3178 -31.3178 -12.6090 -12.6090 -12.2363 -12.2363 -12.2308 -12.2308 1.7645 1.7645 1.7748 1.7748 1.9060 1.9060 1.9942 1.9942 2.0040 2.0040 2.0490 2.0490 2.0757 2.0757 2.1184 2.1184 2.2070 2.2070 2.2221 2.2221 2.2843 2.2843 2.4745 2.4745 2.5115 2.5115 2.6084 2.6084 2.6348 2.6348 2.6599 2.6599 2.7196 2.7196 2.7223 2.7223 2.7868 2.7868 2.8302 2.8302 2.8576 2.8576 2.8907 2.8907 2.9466 2.9466 2.9864 2.9864 2.9874 2.9874 4.1631 4.1631 4.1702 4.1702 5.6009 5.6009 5.6064 5.6064 6.9990 6.9990 8.2655 8.2655 11.4719 11.4719 11.4958 11.4958 12.3339 12.3339 12.3450 12.3450 13.6421 13.6421 14.3948 14.3948 15.1954 15.1954 k = 0.3333 0.5774 0.5661 ( 3813 PWs) bands (ev): -31.3178 -31.3178 -12.6091 -12.6091 -12.2362 -12.2362 -12.2311 -12.2311 1.7790 1.7790 1.7867 1.7867 1.9077 1.9077 1.9794 1.9794 1.9959 1.9959 2.0495 2.0495 2.0699 2.0699 2.1271 2.1271 2.2003 2.2003 2.2210 2.2210 2.2850 2.2850 2.4720 2.4720 2.5169 2.5169 2.6096 2.6096 2.6475 2.6475 2.6589 2.6589 2.7194 2.7194 2.7204 2.7204 2.7853 2.7853 2.8242 2.8242 2.8613 2.8613 2.8875 2.8875 2.9492 2.9492 2.9817 2.9817 2.9881 2.9881 4.2282 4.2282 4.2329 4.2329 5.5045 5.5045 5.5094 5.5094 7.0984 7.0984 8.1487 8.1487 11.5230 11.5230 11.5496 11.5496 12.2791 12.2791 12.2930 12.2930 13.7147 13.7147 14.3775 14.3775 15.2175 15.2175 k = 0.3333 0.5774 0.5833 ( 3810 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2361 -12.2361 -12.2314 -12.2314 1.7921 1.7921 1.7972 1.7972 1.9091 1.9091 1.9660 1.9660 1.9883 1.9883 2.0499 2.0499 2.0652 2.0652 2.1354 2.1354 2.1936 2.1936 2.2203 2.2203 2.2856 2.2856 2.4701 2.4701 2.5211 2.5211 2.6107 2.6107 2.6576 2.6576 2.6605 2.6605 2.7168 2.7168 2.7191 2.7191 2.7841 2.7841 2.8186 2.8186 2.8643 2.8643 2.8852 2.8852 2.9522 2.9522 2.9769 2.9769 2.9887 2.9887 4.2869 4.2869 4.2896 4.2896 5.4216 5.4216 5.4259 5.4259 7.1948 7.1948 8.0386 8.0386 11.5686 11.5686 11.5983 11.5983 12.2295 12.2295 12.2466 12.2466 13.7816 13.7816 14.3560 14.3560 15.2357 15.2357 k = 0.3333 0.5774 0.6005 ( 3810 PWs) bands (ev): -31.3177 -31.3177 -12.6092 -12.6092 -12.2361 -12.2361 -12.2316 -12.2316 1.8030 1.8030 1.8054 1.8054 1.9102 1.9102 1.9548 1.9548 1.9820 1.9820 2.0503 2.0503 2.0616 2.0616 2.1429 2.1429 2.1872 2.1872 2.2200 2.2200 2.2859 2.2859 2.4686 2.4686 2.5241 2.5241 2.6116 2.6116 2.6571 2.6571 2.6724 2.6724 2.7113 2.7113 2.7188 2.7188 2.7832 2.7832 2.8143 2.8143 2.8664 2.8664 2.8838 2.8838 2.9556 2.9556 2.9723 2.9723 2.9890 2.9890 4.3351 4.3351 4.3362 4.3362 5.3564 5.3564 5.3600 5.3600 7.2834 7.2834 7.9402 7.9402 11.6057 11.6057 11.6387 11.6387 12.1885 12.1885 12.2089 12.2089 13.8380 13.8380 14.3332 14.3332 15.2489 15.2489 k = 0.3333 0.5774 0.6176 ( 3810 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.8104 1.8104 1.8106 1.8106 1.9110 1.9110 1.9473 1.9473 1.9778 1.9778 2.0505 2.0505 2.0593 2.0593 2.1487 2.1487 2.1821 2.1821 2.2198 2.2198 2.2862 2.2862 2.4678 2.4678 2.5260 2.5260 2.6122 2.6122 2.6566 2.6566 2.6836 2.6836 2.7041 2.7041 2.7187 2.7187 2.7827 2.7827 2.8115 2.8115 2.8676 2.8676 2.8829 2.8829 2.9592 2.9592 2.9679 2.9679 2.9893 2.9893 4.3673 4.3673 4.3674 4.3674 5.3141 5.3141 5.3172 5.3172 7.3526 7.3526 7.8652 7.8652 11.6305 11.6305 11.6663 11.6663 12.1605 12.1605 12.1838 12.1838 13.8773 13.8773 14.3145 14.3145 15.2561 15.2561 k = 0.3333 0.5774 0.6348 ( 3810 PWs) bands (ev): -31.3177 -31.3177 -12.6093 -12.6093 -12.2360 -12.2360 -12.2317 -12.2317 1.8125 1.8125 1.8131 1.8131 1.9112 1.9112 1.9446 1.9446 1.9763 1.9763 2.0507 2.0507 2.0585 2.0585 2.1512 2.1512 2.1799 2.1799 2.2197 2.2197 2.2862 2.2862 2.4675 2.4675 2.5266 2.5266 2.6124 2.6124 2.6564 2.6564 2.6915 2.6915 2.6976 2.6976 2.7186 2.7186 2.7826 2.7826 2.8105 2.8105 2.8680 2.8680 2.8827 2.8827 2.9621 2.9621 2.9648 2.9648 2.9893 2.9893 4.3784 4.3784 4.3787 4.3787 5.2993 5.2993 5.3023 5.3023 7.3807 7.3807 7.8351 7.8351 11.6393 11.6393 11.6762 11.6762 12.1505 12.1505 12.1749 12.1749 13.8917 13.8917 14.3070 14.3070 15.2579 15.2579 Writing output data file CaZn5.save init_run : 0.28s CPU 0.46s WALL ( 1 calls) electrons : 232.89s CPU 237.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 232.88s CPU 237.49s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 306 calls) cegterg : 215.25s CPU 217.99s WALL ( 306 calls) Called by sum_band: Called by *egterg: h_psi : 93.51s CPU 95.23s WALL ( 5779 calls) s_psi : 10.31s CPU 10.45s WALL ( 5779 calls) g_psi : 0.29s CPU 0.30s WALL ( 5167 calls) cdiaghg : 98.84s CPU 99.97s WALL ( 5473 calls) cegterg:over : 10.65s CPU 10.74s WALL ( 5167 calls) cegterg:upda : 7.96s CPU 7.97s WALL ( 5167 calls) cegterg:last : 4.48s CPU 4.52s WALL ( 918 calls) cdiaghg:chol : 6.06s CPU 5.99s WALL ( 5473 calls) cdiaghg:inve : 4.27s CPU 4.41s WALL ( 5473 calls) cdiaghg:para : 7.78s CPU 7.92s WALL ( 10946 calls) Called by h_psi: h_psi:vloc : 71.10s CPU 72.69s WALL ( 5779 calls) h_psi:vnl : 22.07s CPU 22.23s WALL ( 5779 calls) add_vuspsi : 12.46s CPU 12.51s WALL ( 5779 calls) General routines calbec : 9.60s CPU 9.70s WALL ( 5779 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.10s CPU 67.49s WALL ( 1085664 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.27s WALL ( 612 calls) Parallel routines fft_scatter : 27.56s CPU 27.93s WALL ( 1085687 calls) PWSCF : 4m14.60s CPU 4m58.61s WALL This run was terminated on: 16:36:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=