Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:33: 4 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: ./CsCu3S2.save/ file Cu.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 65 65 18 2983 2983 436 Max 66 66 19 2990 2990 443 Sum 2347 2347 649 107475 107475 15733 bravais-lattice index = 14 lattice parameter (alat) = 10.3349 a.u. unit-cell volume = 1110.6832 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.334911 celldm(2)= 1.000000 celldm(3)= 1.161821 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 1.161821 ) 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 0.860718 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Cu 11.00 63.54600 Cu( 1.00) Cs 9.00 132.90550 Cs( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 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 = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 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 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 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 inv. 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 inv. 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 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0037037 k( 4) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0037037 k( 5) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0037037 k( 6) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0037037 k( 7) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0037037 k( 8) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0037037 k( 9) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0037037 k( 10) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0037037 k( 11) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0037037 k( 12) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0037037 k( 13) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0037037 k( 14) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0037037 k( 15) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0037037 k( 16) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0037037 k( 17) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0037037 k( 18) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0037037 k( 19) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0037037 k( 20) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0037037 k( 21) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0037037 k( 22) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0037037 k( 23) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0037037 k( 24) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0037037 k( 25) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0037037 k( 26) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0037037 k( 27) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0037037 k( 28) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0037037 k( 29) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0037037 k( 30) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0037037 k( 31) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0037037 k( 32) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0037037 k( 33) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0037037 k( 34) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0037037 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 37) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0037037 k( 38) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0037037 k( 39) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0037037 k( 40) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0037037 k( 41) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0037037 k( 42) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0037037 k( 43) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0037037 k( 44) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0037037 k( 45) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0037037 k( 46) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0037037 k( 47) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0037037 k( 48) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0037037 k( 49) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0037037 k( 50) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0037037 k( 51) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0037037 k( 52) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0037037 k( 53) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0037037 k( 54) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0037037 k( 55) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0037037 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 58) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0037037 k( 59) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0037037 k( 60) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0037037 k( 61) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0037037 k( 62) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0037037 k( 63) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0037037 k( 64) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0037037 k( 65) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0037037 k( 66) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0037037 k( 67) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0037037 k( 68) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0037037 k( 69) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0037037 k( 70) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0037037 k( 71) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0037037 k( 72) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0037037 k( 73) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0037037 k( 74) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0037037 k( 75) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0037037 k( 76) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0037037 k( 77) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0037037 k( 78) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0037037 k( 79) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0037037 k( 80) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0037037 k( 81) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0037037 k( 82) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0037037 k( 83) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0037037 k( 84) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0037037 k( 85) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0037037 k( 86) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0037037 k( 87) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0037037 k( 88) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0037037 k( 89) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0037037 k( 90) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0037037 k( 91) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0037037 k( 92) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0037037 k( 93) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0037037 k( 94) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0037037 k( 95) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.0172144), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.0344287), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.0516431), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.0688574), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.0860718), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.1032861), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.1205005), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.1377148), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.1549292), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.1721435), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.1893579), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.2065722), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.2237866), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.2410009), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.2582153), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.2754297), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.2926440), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.3098584), wk = 0.0037037 k( 116) = ( 0.0000000 0.0000000 0.3270727), wk = 0.0037037 k( 117) = ( 0.0000000 0.0000000 0.3442871), wk = 0.0037037 k( 118) = ( 0.0000000 0.0000000 0.3615014), wk = 0.0037037 k( 119) = ( 0.0000000 0.0000000 0.3787158), wk = 0.0037037 k( 120) = ( 0.0000000 0.0000000 0.3959301), wk = 0.0037037 k( 121) = ( 0.0000000 0.0000000 0.4131445), wk = 0.0037037 k( 122) = ( 0.0000000 0.0000000 0.4303588), wk = 0.0037037 k( 123) = ( 0.0000000 0.0000000 0.4303588), wk = 0.0037037 k( 124) = ( 0.0147059 0.0084904 0.4303588), wk = 0.0037037 k( 125) = ( 0.0294118 0.0169809 0.4303588), wk = 0.0037037 k( 126) = ( 0.0441177 0.0254713 0.4303588), wk = 0.0037037 k( 127) = ( 0.0588235 0.0339618 0.4303588), wk = 0.0037037 k( 128) = ( 0.0735294 0.0424522 0.4303588), wk = 0.0037037 k( 129) = ( 0.0882353 0.0509427 0.4303588), wk = 0.0037037 k( 130) = ( 0.1029412 0.0594331 0.4303588), wk = 0.0037037 k( 131) = ( 0.1176471 0.0679236 0.4303588), wk = 0.0037037 k( 132) = ( 0.1323529 0.0764140 0.4303588), wk = 0.0037037 k( 133) = ( 0.1470588 0.0849044 0.4303588), wk = 0.0037037 k( 134) = ( 0.1617647 0.0933949 0.4303588), wk = 0.0037037 k( 135) = ( 0.1764706 0.1018853 0.4303588), wk = 0.0037037 k( 136) = ( 0.1911765 0.1103758 0.4303588), wk = 0.0037037 k( 137) = ( 0.2058823 0.1188662 0.4303588), wk = 0.0037037 k( 138) = ( 0.2205882 0.1273567 0.4303588), wk = 0.0037037 k( 139) = ( 0.2352941 0.1358471 0.4303588), wk = 0.0037037 k( 140) = ( 0.2500000 0.1443376 0.4303588), wk = 0.0037037 k( 141) = ( 0.2647059 0.1528280 0.4303588), wk = 0.0037037 k( 142) = ( 0.2794118 0.1613185 0.4303588), wk = 0.0037037 k( 143) = ( 0.2941177 0.1698089 0.4303588), wk = 0.0037037 k( 144) = ( 0.3088235 0.1782993 0.4303588), wk = 0.0037037 k( 145) = ( 0.3235294 0.1867898 0.4303588), wk = 0.0037037 k( 146) = ( 0.3382353 0.1952802 0.4303588), wk = 0.0037037 k( 147) = ( 0.3529412 0.2037707 0.4303588), wk = 0.0037037 k( 148) = ( 0.3676471 0.2122611 0.4303588), wk = 0.0037037 k( 149) = ( 0.3823529 0.2207516 0.4303588), wk = 0.0037037 k( 150) = ( 0.3970588 0.2292420 0.4303588), wk = 0.0037037 k( 151) = ( 0.4117647 0.2377325 0.4303588), wk = 0.0037037 k( 152) = ( 0.4264706 0.2462229 0.4303588), wk = 0.0037037 k( 153) = ( 0.4411765 0.2547134 0.4303588), wk = 0.0037037 k( 154) = ( 0.4558823 0.2632038 0.4303588), wk = 0.0037037 k( 155) = ( 0.4705882 0.2716942 0.4303588), wk = 0.0037037 k( 156) = ( 0.4852941 0.2801847 0.4303588), wk = 0.0037037 k( 157) = ( 0.5000000 0.2886751 0.4303588), wk = 0.0037037 k( 158) = ( 0.5000000 0.2886751 0.4303588), wk = 0.0037037 k( 159) = ( 0.4916667 0.3031089 0.4303588), wk = 0.0037037 k( 160) = ( 0.4833333 0.3175426 0.4303588), wk = 0.0037037 k( 161) = ( 0.4750000 0.3319764 0.4303588), wk = 0.0037037 k( 162) = ( 0.4666667 0.3464102 0.4303588), wk = 0.0037037 k( 163) = ( 0.4583333 0.3608439 0.4303588), wk = 0.0037037 k( 164) = ( 0.4500000 0.3752777 0.4303588), wk = 0.0037037 k( 165) = ( 0.4416667 0.3897114 0.4303588), wk = 0.0037037 k( 166) = ( 0.4333333 0.4041452 0.4303588), wk = 0.0037037 k( 167) = ( 0.4250000 0.4185789 0.4303588), wk = 0.0037037 k( 168) = ( 0.4166667 0.4330127 0.4303588), wk = 0.0037037 k( 169) = ( 0.4083333 0.4474465 0.4303588), wk = 0.0037037 k( 170) = ( 0.4000000 0.4618802 0.4303588), wk = 0.0037037 k( 171) = ( 0.3916667 0.4763140 0.4303588), wk = 0.0037037 k( 172) = ( 0.3833333 0.4907477 0.4303588), wk = 0.0037037 k( 173) = ( 0.3750000 0.5051815 0.4303588), wk = 0.0037037 k( 174) = ( 0.3666667 0.5196152 0.4303588), wk = 0.0037037 k( 175) = ( 0.3583333 0.5340490 0.4303588), wk = 0.0037037 k( 176) = ( 0.3500000 0.5484828 0.4303588), wk = 0.0037037 k( 177) = ( 0.3416667 0.5629165 0.4303588), wk = 0.0037037 k( 178) = ( 0.3333333 0.5773503 0.4303588), wk = 0.0037037 k( 179) = ( 0.3333333 0.5773503 0.4303588), wk = 0.0037037 k( 180) = ( 0.3247863 0.5625464 0.4303588), wk = 0.0037037 k( 181) = ( 0.3162393 0.5477426 0.4303588), wk = 0.0037037 k( 182) = ( 0.3076923 0.5329387 0.4303588), wk = 0.0037037 k( 183) = ( 0.2991453 0.5181349 0.4303588), wk = 0.0037037 k( 184) = ( 0.2905983 0.5033310 0.4303588), wk = 0.0037037 k( 185) = ( 0.2820513 0.4885271 0.4303588), wk = 0.0037037 k( 186) = ( 0.2735043 0.4737233 0.4303588), wk = 0.0037037 k( 187) = ( 0.2649573 0.4589194 0.4303588), wk = 0.0037037 k( 188) = ( 0.2564103 0.4441156 0.4303588), wk = 0.0037037 k( 189) = ( 0.2478633 0.4293117 0.4303588), wk = 0.0037037 k( 190) = ( 0.2393162 0.4145079 0.4303588), wk = 0.0037037 k( 191) = ( 0.2307692 0.3997040 0.4303588), wk = 0.0037037 k( 192) = ( 0.2222222 0.3849002 0.4303588), wk = 0.0037037 k( 193) = ( 0.2136752 0.3700963 0.4303588), wk = 0.0037037 k( 194) = ( 0.2051282 0.3552925 0.4303588), wk = 0.0037037 k( 195) = ( 0.1965812 0.3404886 0.4303588), wk = 0.0037037 k( 196) = ( 0.1880342 0.3256848 0.4303588), wk = 0.0037037 k( 197) = ( 0.1794872 0.3108809 0.4303588), wk = 0.0037037 k( 198) = ( 0.1709402 0.2960771 0.4303588), wk = 0.0037037 k( 199) = ( 0.1623932 0.2812732 0.4303588), wk = 0.0037037 k( 200) = ( 0.1538461 0.2664693 0.4303588), wk = 0.0037037 k( 201) = ( 0.1452991 0.2516655 0.4303588), wk = 0.0037037 k( 202) = ( 0.1367521 0.2368617 0.4303588), wk = 0.0037037 k( 203) = ( 0.1282051 0.2220578 0.4303588), wk = 0.0037037 k( 204) = ( 0.1196581 0.2072539 0.4303588), wk = 0.0037037 k( 205) = ( 0.1111111 0.1924501 0.4303588), wk = 0.0037037 k( 206) = ( 0.1025641 0.1776462 0.4303588), wk = 0.0037037 k( 207) = ( 0.0940171 0.1628424 0.4303588), wk = 0.0037037 k( 208) = ( 0.0854701 0.1480385 0.4303588), wk = 0.0037037 k( 209) = ( 0.0769231 0.1332347 0.4303588), wk = 0.0037037 k( 210) = ( 0.0683761 0.1184308 0.4303588), wk = 0.0037037 k( 211) = ( 0.0598291 0.1036270 0.4303588), wk = 0.0037037 k( 212) = ( 0.0512821 0.0888231 0.4303588), wk = 0.0037037 k( 213) = ( 0.0427350 0.0740193 0.4303588), wk = 0.0037037 k( 214) = ( 0.0341880 0.0592154 0.4303588), wk = 0.0037037 k( 215) = ( 0.0256410 0.0444116 0.4303588), wk = 0.0037037 k( 216) = ( 0.0170940 0.0296077 0.4303588), wk = 0.0037037 k( 217) = ( 0.0085470 0.0148039 0.4303588), wk = 0.0037037 k( 218) = ( 0.0000000 0.0000000 0.4303588), wk = 0.0037037 k( 219) = ( 0.5000000 0.2886751 0.4303588), wk = 0.0037037 k( 220) = ( 0.5000000 0.2886751 0.4131445), wk = 0.0037037 k( 221) = ( 0.5000000 0.2886751 0.3959301), wk = 0.0037037 k( 222) = ( 0.5000000 0.2886751 0.3787158), wk = 0.0037037 k( 223) = ( 0.5000000 0.2886751 0.3615014), wk = 0.0037037 k( 224) = ( 0.5000000 0.2886751 0.3442871), wk = 0.0037037 k( 225) = ( 0.5000000 0.2886751 0.3270727), wk = 0.0037037 k( 226) = ( 0.5000000 0.2886751 0.3098584), wk = 0.0037037 k( 227) = ( 0.5000000 0.2886751 0.2926440), wk = 0.0037037 k( 228) = ( 0.5000000 0.2886751 0.2754297), wk = 0.0037037 k( 229) = ( 0.5000000 0.2886751 0.2582153), wk = 0.0037037 k( 230) = ( 0.5000000 0.2886751 0.2410009), wk = 0.0037037 k( 231) = ( 0.5000000 0.2886751 0.2237866), wk = 0.0037037 k( 232) = ( 0.5000000 0.2886751 0.2065722), wk = 0.0037037 k( 233) = ( 0.5000000 0.2886751 0.1893579), wk = 0.0037037 k( 234) = ( 0.5000000 0.2886751 0.1721435), wk = 0.0037037 k( 235) = ( 0.5000000 0.2886751 0.1549292), wk = 0.0037037 k( 236) = ( 0.5000000 0.2886751 0.1377148), wk = 0.0037037 k( 237) = ( 0.5000000 0.2886751 0.1205005), wk = 0.0037037 k( 238) = ( 0.5000000 0.2886751 0.1032861), wk = 0.0037037 k( 239) = ( 0.5000000 0.2886751 0.0860718), wk = 0.0037037 k( 240) = ( 0.5000000 0.2886751 0.0688574), wk = 0.0037037 k( 241) = ( 0.5000000 0.2886751 0.0516431), wk = 0.0037037 k( 242) = ( 0.5000000 0.2886751 0.0344287), wk = 0.0037037 k( 243) = ( 0.5000000 0.2886751 0.0172144), wk = 0.0037037 k( 244) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 245) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 246) = ( 0.3333333 0.5773503 0.0172144), wk = 0.0037037 k( 247) = ( 0.3333333 0.5773503 0.0344287), wk = 0.0037037 k( 248) = ( 0.3333333 0.5773503 0.0516431), wk = 0.0037037 k( 249) = ( 0.3333333 0.5773503 0.0688574), wk = 0.0037037 k( 250) = ( 0.3333333 0.5773503 0.0860718), wk = 0.0037037 k( 251) = ( 0.3333333 0.5773503 0.1032861), wk = 0.0037037 k( 252) = ( 0.3333333 0.5773503 0.1205005), wk = 0.0037037 k( 253) = ( 0.3333333 0.5773503 0.1377148), wk = 0.0037037 k( 254) = ( 0.3333333 0.5773503 0.1549292), wk = 0.0037037 k( 255) = ( 0.3333333 0.5773503 0.1721435), wk = 0.0037037 k( 256) = ( 0.3333333 0.5773503 0.1893579), wk = 0.0037037 k( 257) = ( 0.3333333 0.5773503 0.2065722), wk = 0.0037037 k( 258) = ( 0.3333333 0.5773503 0.2237866), wk = 0.0037037 k( 259) = ( 0.3333333 0.5773503 0.2410009), wk = 0.0037037 k( 260) = ( 0.3333333 0.5773503 0.2582153), wk = 0.0037037 k( 261) = ( 0.3333333 0.5773503 0.2754297), wk = 0.0037037 k( 262) = ( 0.3333333 0.5773503 0.2926440), wk = 0.0037037 k( 263) = ( 0.3333333 0.5773503 0.3098584), wk = 0.0037037 k( 264) = ( 0.3333333 0.5773503 0.3270727), wk = 0.0037037 k( 265) = ( 0.3333333 0.5773503 0.3442871), wk = 0.0037037 k( 266) = ( 0.3333333 0.5773503 0.3615014), wk = 0.0037037 k( 267) = ( 0.3333333 0.5773503 0.3787158), wk = 0.0037037 k( 268) = ( 0.3333333 0.5773503 0.3959301), wk = 0.0037037 k( 269) = ( 0.3333333 0.5773503 0.4131445), wk = 0.0037037 k( 270) = ( 0.3333333 0.5773503 0.4303588), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0037037 k( 4) = ( 0.0441177 -0.0000000 -0.0000000), wk = 0.0037037 k( 5) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0037037 k( 6) = ( 0.0735294 -0.0000000 -0.0000000), wk = 0.0037037 k( 7) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0037037 k( 8) = ( 0.1029412 -0.0000000 -0.0000000), wk = 0.0037037 k( 9) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0037037 k( 10) = ( 0.1323529 -0.0000000 -0.0000000), wk = 0.0037037 k( 11) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0037037 k( 12) = ( 0.1617647 -0.0000000 -0.0000000), wk = 0.0037037 k( 13) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0037037 k( 14) = ( 0.1911765 -0.0000000 -0.0000000), wk = 0.0037037 k( 15) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0037037 k( 16) = ( 0.2205882 0.0000000 -0.0000000), wk = 0.0037037 k( 17) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0037037 k( 18) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0037037 k( 19) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0037037 k( 20) = ( 0.2794118 -0.0000000 0.0000000), wk = 0.0037037 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0037037 k( 22) = ( 0.3088235 -0.0000000 -0.0000000), wk = 0.0037037 k( 23) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0037037 k( 24) = ( 0.3382353 -0.0000000 -0.0000000), wk = 0.0037037 k( 25) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0037037 k( 26) = ( 0.3676471 0.0000000 0.0000000), wk = 0.0037037 k( 27) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0037037 k( 28) = ( 0.3970588 -0.0000000 0.0000000), wk = 0.0037037 k( 29) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0037037 k( 30) = ( 0.4264706 -0.0000000 -0.0000000), wk = 0.0037037 k( 31) = ( 0.4411765 0.0000000 -0.0000000), wk = 0.0037037 k( 32) = ( 0.4558823 -0.0000000 -0.0000000), wk = 0.0037037 k( 33) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0037037 k( 34) = ( 0.4852941 -0.0000000 -0.0000000), wk = 0.0037037 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037037 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037037 k( 37) = ( 0.4916667 0.0166667 -0.0000000), wk = 0.0037037 k( 38) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0037037 k( 39) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0037037 k( 40) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0037037 k( 41) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0037037 k( 42) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0037037 k( 43) = ( 0.4416667 0.1166667 -0.0000000), wk = 0.0037037 k( 44) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0037037 k( 45) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0037037 k( 46) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0037037 k( 47) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0037037 k( 48) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0037037 k( 49) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0037037 k( 50) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0037037 k( 51) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0037037 k( 52) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0037037 k( 53) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0037037 k( 54) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0037037 k( 55) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0037037 k( 56) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037037 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037037 k( 58) = ( 0.3247863 0.3247863 -0.0000000), wk = 0.0037037 k( 59) = ( 0.3162393 0.3162393 0.0000000), wk = 0.0037037 k( 60) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0037037 k( 61) = ( 0.2991453 0.2991453 -0.0000000), wk = 0.0037037 k( 62) = ( 0.2905983 0.2905983 -0.0000000), wk = 0.0037037 k( 63) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0037037 k( 64) = ( 0.2735043 0.2735043 -0.0000000), wk = 0.0037037 k( 65) = ( 0.2649573 0.2649573 -0.0000000), wk = 0.0037037 k( 66) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0037037 k( 67) = ( 0.2478633 0.2478633 -0.0000000), wk = 0.0037037 k( 68) = ( 0.2393162 0.2393162 0.0000000), wk = 0.0037037 k( 69) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0037037 k( 70) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0037037 k( 71) = ( 0.2136752 0.2136752 -0.0000000), wk = 0.0037037 k( 72) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0037037 k( 73) = ( 0.1965812 0.1965812 -0.0000000), wk = 0.0037037 k( 74) = ( 0.1880342 0.1880342 -0.0000000), wk = 0.0037037 k( 75) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0037037 k( 76) = ( 0.1709402 0.1709402 -0.0000000), wk = 0.0037037 k( 77) = ( 0.1623932 0.1623932 -0.0000000), wk = 0.0037037 k( 78) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0037037 k( 79) = ( 0.1452991 0.1452992 0.0000000), wk = 0.0037037 k( 80) = ( 0.1367521 0.1367521 0.0000000), wk = 0.0037037 k( 81) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0037037 k( 82) = ( 0.1196581 0.1196581 0.0000000), wk = 0.0037037 k( 83) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0037037 k( 84) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0037037 k( 85) = ( 0.0940171 0.0940171 -0.0000000), wk = 0.0037037 k( 86) = ( 0.0854701 0.0854701 -0.0000000), wk = 0.0037037 k( 87) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0037037 k( 88) = ( 0.0683761 0.0683761 0.0000000), wk = 0.0037037 k( 89) = ( 0.0598291 0.0598291 0.0000000), wk = 0.0037037 k( 90) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0037037 k( 91) = ( 0.0427350 0.0427350 0.0000000), wk = 0.0037037 k( 92) = ( 0.0341880 0.0341880 0.0000000), wk = 0.0037037 k( 93) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0037037 k( 94) = ( 0.0170940 0.0170940 -0.0000000), wk = 0.0037037 k( 95) = ( 0.0085470 0.0085470 -0.0000000), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0037037 k( 116) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0037037 k( 117) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0037037 k( 118) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0037037 k( 119) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0037037 k( 120) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0037037 k( 121) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0037037 k( 122) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 124) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0037037 k( 125) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0037037 k( 126) = ( 0.0441177 -0.0000000 0.5000000), wk = 0.0037037 k( 127) = ( 0.0588235 -0.0000000 0.5000000), wk = 0.0037037 k( 128) = ( 0.0735294 -0.0000000 0.5000000), wk = 0.0037037 k( 129) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0037037 k( 130) = ( 0.1029412 -0.0000000 0.5000000), wk = 0.0037037 k( 131) = ( 0.1176471 -0.0000000 0.5000000), wk = 0.0037037 k( 132) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0037037 k( 133) = ( 0.1470588 -0.0000000 0.5000000), wk = 0.0037037 k( 134) = ( 0.1617647 -0.0000000 0.5000000), wk = 0.0037037 k( 135) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0037037 k( 136) = ( 0.1911765 -0.0000000 0.5000000), wk = 0.0037037 k( 137) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0037037 k( 138) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0037037 k( 139) = ( 0.2352941 -0.0000000 0.5000000), wk = 0.0037037 k( 140) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0037037 k( 141) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0037037 k( 142) = ( 0.2794118 -0.0000000 0.5000000), wk = 0.0037037 k( 143) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0037037 k( 144) = ( 0.3088235 -0.0000000 0.5000000), wk = 0.0037037 k( 145) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0037037 k( 146) = ( 0.3382353 -0.0000000 0.5000000), wk = 0.0037037 k( 147) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0037037 k( 148) = ( 0.3676471 0.0000000 0.5000000), wk = 0.0037037 k( 149) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0037037 k( 150) = ( 0.3970588 -0.0000000 0.5000000), wk = 0.0037037 k( 151) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0037037 k( 152) = ( 0.4264706 -0.0000000 0.5000000), wk = 0.0037037 k( 153) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0037037 k( 154) = ( 0.4558823 -0.0000000 0.5000000), wk = 0.0037037 k( 155) = ( 0.4705882 -0.0000000 0.5000000), wk = 0.0037037 k( 156) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0037037 k( 157) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037037 k( 158) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037037 k( 159) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0037037 k( 160) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0037037 k( 161) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0037037 k( 162) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0037037 k( 163) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0037037 k( 164) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0037037 k( 165) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0037037 k( 166) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0037037 k( 167) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0037037 k( 168) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0037037 k( 169) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0037037 k( 170) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0037037 k( 171) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0037037 k( 172) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0037037 k( 173) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0037037 k( 174) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0037037 k( 175) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0037037 k( 176) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0037037 k( 177) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0037037 k( 178) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 k( 179) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 k( 180) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0037037 k( 181) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0037037 k( 182) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0037037 k( 183) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0037037 k( 184) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0037037 k( 185) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0037037 k( 186) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0037037 k( 187) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0037037 k( 188) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0037037 k( 189) = ( 0.2478633 0.2478633 0.5000000), wk = 0.0037037 k( 190) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0037037 k( 191) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0037037 k( 192) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0037037 k( 193) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0037037 k( 194) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0037037 k( 195) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0037037 k( 196) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0037037 k( 197) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0037037 k( 198) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0037037 k( 199) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0037037 k( 200) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0037037 k( 201) = ( 0.1452991 0.1452992 0.5000000), wk = 0.0037037 k( 202) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0037037 k( 203) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0037037 k( 204) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0037037 k( 205) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0037037 k( 206) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0037037 k( 207) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0037037 k( 208) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0037037 k( 209) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0037037 k( 210) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0037037 k( 211) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0037037 k( 212) = ( 0.0512821 0.0512820 0.5000000), wk = 0.0037037 k( 213) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0037037 k( 214) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0037037 k( 215) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0037037 k( 216) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0037037 k( 217) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0037037 k( 218) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037037 k( 220) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0037037 k( 221) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0037037 k( 222) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0037037 k( 223) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0037037 k( 224) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0037037 k( 225) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0037037 k( 226) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0037037 k( 227) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0037037 k( 228) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0037037 k( 229) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0037037 k( 230) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0037037 k( 231) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0037037 k( 232) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0037037 k( 233) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0037037 k( 234) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0037037 k( 235) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0037037 k( 236) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0037037 k( 237) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0037037 k( 238) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0037037 k( 239) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0037037 k( 240) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0037037 k( 241) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0037037 k( 242) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0037037 k( 243) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0037037 k( 244) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037037 k( 245) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037037 k( 246) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0037037 k( 247) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0037037 k( 248) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0037037 k( 249) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0037037 k( 250) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0037037 k( 251) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0037037 k( 252) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0037037 k( 253) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0037037 k( 254) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0037037 k( 255) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0037037 k( 256) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0037037 k( 257) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0037037 k( 258) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0037037 k( 259) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0037037 k( 260) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0037037 k( 261) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0037037 k( 262) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0037037 k( 263) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0037037 k( 264) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0037037 k( 265) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0037037 k( 266) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0037037 k( 267) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0037037 k( 268) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0037037 k( 269) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0037037 k( 270) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 Dense grid: 107475 G-vectors FFT dimensions: ( 60, 60, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.73 Mb ( 748, 64) NL pseudopotentials 1.32 Mb ( 374, 232) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2985) G-vector shells 0.01 Mb ( 1311) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.92 Mb ( 748, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.45 Mb ( 232, 2, 64) The potential is recalculated from file : ./CsCu3S2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.2 secs Computing kpt #: 5 total cpu time spent up to now is 10.5 secs Computing kpt #: 6 total cpu time spent up to now is 11.9 secs Computing kpt #: 7 total cpu time spent up to now is 13.3 secs Computing kpt #: 8 total cpu time spent up to now is 14.6 secs Computing kpt #: 9 total cpu time spent up to now is 16.0 secs Computing kpt #: 10 total cpu time spent up to now is 17.4 secs Computing kpt #: 11 total cpu time spent up to now is 18.8 secs Computing kpt #: 12 total cpu time spent up to now is 20.2 secs Computing kpt #: 13 total cpu time spent up to now is 21.5 secs Computing kpt #: 14 total cpu time spent up to now is 22.9 secs Computing kpt #: 15 total cpu time spent up to now is 24.2 secs Computing kpt #: 16 total cpu time spent up to now is 25.6 secs Computing kpt #: 17 total cpu time spent up to now is 27.0 secs Computing kpt #: 18 total cpu time spent up to now is 28.3 secs Computing kpt #: 19 total cpu time spent up to now is 29.7 secs Computing kpt #: 20 total cpu time spent up to now is 31.0 secs Computing kpt #: 21 total cpu time spent up to now is 32.4 secs Computing kpt #: 22 total cpu time spent up to now is 33.7 secs Computing kpt #: 23 total cpu time spent up to now is 35.1 secs Computing kpt #: 24 total cpu time spent up to now is 36.5 secs Computing kpt #: 25 total cpu time spent up to now is 37.8 secs Computing kpt #: 26 total cpu time spent up to now is 39.2 secs Computing kpt #: 27 total cpu time spent up to now is 40.6 secs Computing kpt #: 28 total cpu time spent up to now is 42.0 secs Computing kpt #: 29 total cpu time spent up to now is 43.4 secs Computing kpt #: 30 total cpu time spent up to now is 44.8 secs Computing kpt #: 31 total cpu time spent up to now is 46.1 secs Computing kpt #: 32 total cpu time spent up to now is 47.5 secs Computing kpt #: 33 total cpu time spent up to now is 48.8 secs Computing kpt #: 34 total cpu time spent up to now is 50.2 secs Computing kpt #: 35 total cpu time spent up to now is 51.7 secs Computing kpt #: 36 total cpu time spent up to now is 53.5 secs Computing kpt #: 37 total cpu time spent up to now is 55.0 secs Computing kpt #: 38 total cpu time spent up to now is 56.8 secs Computing kpt #: 39 total cpu time spent up to now is 58.3 secs Computing kpt #: 40 total cpu time spent up to now is 59.8 secs Computing kpt #: 41 total cpu time spent up to now is 61.2 secs Computing kpt #: 42 total cpu time spent up to now is 62.6 secs Computing kpt #: 43 total cpu time spent up to now is 64.0 secs Computing kpt #: 44 total cpu time spent up to now is 65.3 secs Computing kpt #: 45 total cpu time spent up to now is 66.6 secs Computing kpt #: 46 total cpu time spent up to now is 67.8 secs Computing kpt #: 47 total cpu time spent up to now is 69.0 secs Computing kpt #: 48 total cpu time spent up to now is 70.2 secs Computing kpt #: 49 total cpu time spent up to now is 71.3 secs Computing kpt #: 50 total cpu time spent up to now is 72.5 secs Computing kpt #: 51 total cpu time spent up to now is 73.6 secs Computing kpt #: 52 total cpu time spent up to now is 74.7 secs Computing kpt #: 53 total cpu time spent up to now is 75.8 secs Computing kpt #: 54 total cpu time spent up to now is 76.8 secs Computing kpt #: 55 total cpu time spent up to now is 77.9 secs Computing kpt #: 56 total cpu time spent up to now is 79.0 secs Computing kpt #: 57 total cpu time spent up to now is 80.0 secs Computing kpt #: 58 total cpu time spent up to now is 81.1 secs Computing kpt #: 59 total cpu time spent up to now is 82.2 secs Computing kpt #: 60 total cpu time spent up to now is 83.3 secs Computing kpt #: 61 total cpu time spent up to now is 84.5 secs Computing kpt #: 62 total cpu time spent up to now is 85.6 secs Computing kpt #: 63 total cpu time spent up to now is 86.7 secs Computing kpt #: 64 total cpu time spent up to now is 87.8 secs Computing kpt #: 65 total cpu time spent up to now is 88.9 secs Computing kpt #: 66 total cpu time spent up to now is 90.0 secs Computing kpt #: 67 total cpu time spent up to now is 91.1 secs Computing kpt #: 68 total cpu time spent up to now is 92.2 secs Computing kpt #: 69 total cpu time spent up to now is 93.3 secs Computing kpt #: 70 total cpu time spent up to now is 94.4 secs Computing kpt #: 71 total cpu time spent up to now is 95.5 secs Computing kpt #: 72 total cpu time spent up to now is 96.7 secs Computing kpt #: 73 total cpu time spent up to now is 97.8 secs Computing kpt #: 74 total cpu time spent up to now is 98.9 secs Computing kpt #: 75 total cpu time spent up to now is 100.2 secs Computing kpt #: 76 total cpu time spent up to now is 101.7 secs Computing kpt #: 77 total cpu time spent up to now is 102.8 secs Computing kpt #: 78 total cpu time spent up to now is 103.9 secs Computing kpt #: 79 total cpu time spent up to now is 105.0 secs Computing kpt #: 80 total cpu time spent up to now is 106.2 secs Computing kpt #: 81 total cpu time spent up to now is 107.3 secs Computing kpt #: 82 total cpu time spent up to now is 108.4 secs Computing kpt #: 83 total cpu time spent up to now is 109.5 secs Computing kpt #: 84 total cpu time spent up to now is 110.7 secs Computing kpt #: 85 total cpu time spent up to now is 111.8 secs Computing kpt #: 86 total cpu time spent up to now is 113.2 secs Computing kpt #: 87 total cpu time spent up to now is 114.5 secs Computing kpt #: 88 total cpu time spent up to now is 115.8 secs Computing kpt #: 89 total cpu time spent up to now is 117.2 secs Computing kpt #: 90 total cpu time spent up to now is 118.5 secs Computing kpt #: 91 total cpu time spent up to now is 119.9 secs Computing kpt #: 92 total cpu time spent up to now is 121.2 secs Computing kpt #: 93 total cpu time spent up to now is 122.6 secs Computing kpt #: 94 total cpu time spent up to now is 124.0 secs Computing kpt #: 95 total cpu time spent up to now is 125.5 secs Computing kpt #: 96 total cpu time spent up to now is 126.9 secs Computing kpt #: 97 total cpu time spent up to now is 128.4 secs Computing kpt #: 98 total cpu time spent up to now is 129.9 secs Computing kpt #: 99 total cpu time spent up to now is 131.3 secs Computing kpt #: 100 total cpu time spent up to now is 132.7 secs Computing kpt #: 101 total cpu time spent up to now is 134.0 secs Computing kpt #: 102 total cpu time spent up to now is 135.4 secs Computing kpt #: 103 total cpu time spent up to now is 136.7 secs Computing kpt #: 104 total cpu time spent up to now is 138.1 secs Computing kpt #: 105 total cpu time spent up to now is 139.4 secs Computing kpt #: 106 total cpu time spent up to now is 140.8 secs Computing kpt #: 107 total cpu time spent up to now is 142.2 secs Computing kpt #: 108 total cpu time spent up to now is 143.5 secs Computing kpt #: 109 total cpu time spent up to now is 144.9 secs Computing kpt #: 110 total cpu time spent up to now is 146.3 secs Computing kpt #: 111 total cpu time spent up to now is 147.7 secs Computing kpt #: 112 total cpu time spent up to now is 149.1 secs Computing kpt #: 113 total cpu time spent up to now is 150.5 secs Computing kpt #: 114 total cpu time spent up to now is 151.9 secs Computing kpt #: 115 total cpu time spent up to now is 153.3 secs Computing kpt #: 116 total cpu time spent up to now is 154.7 secs Computing kpt #: 117 total cpu time spent up to now is 156.1 secs Computing kpt #: 118 total cpu time spent up to now is 157.5 secs Computing kpt #: 119 total cpu time spent up to now is 158.8 secs Computing kpt #: 120 total cpu time spent up to now is 159.9 secs Computing kpt #: 121 total cpu time spent up to now is 161.1 secs Computing kpt #: 122 total cpu time spent up to now is 162.3 secs Computing kpt #: 123 total cpu time spent up to now is 163.6 secs Computing kpt #: 124 total cpu time spent up to now is 164.9 secs Computing kpt #: 125 total cpu time spent up to now is 166.2 secs Computing kpt #: 126 total cpu time spent up to now is 167.6 secs Computing kpt #: 127 total cpu time spent up to now is 168.7 secs Computing kpt #: 128 total cpu time spent up to now is 169.9 secs Computing kpt #: 129 total cpu time spent up to now is 171.1 secs Computing kpt #: 130 total cpu time spent up to now is 172.2 secs Computing kpt #: 131 total cpu time spent up to now is 173.3 secs Computing kpt #: 132 total cpu time spent up to now is 174.4 secs Computing kpt #: 133 total cpu time spent up to now is 175.5 secs Computing kpt #: 134 total cpu time spent up to now is 176.7 secs Computing kpt #: 135 total cpu time spent up to now is 177.8 secs Computing kpt #: 136 total cpu time spent up to now is 178.8 secs Computing kpt #: 137 total cpu time spent up to now is 179.9 secs Computing kpt #: 138 total cpu time spent up to now is 181.0 secs Computing kpt #: 139 total cpu time spent up to now is 182.1 secs Computing kpt #: 140 total cpu time spent up to now is 183.2 secs Computing kpt #: 141 total cpu time spent up to now is 184.3 secs Computing kpt #: 142 total cpu time spent up to now is 185.5 secs Computing kpt #: 143 total cpu time spent up to now is 186.5 secs Computing kpt #: 144 total cpu time spent up to now is 187.6 secs Computing kpt #: 145 total cpu time spent up to now is 188.8 secs Computing kpt #: 146 total cpu time spent up to now is 189.9 secs Computing kpt #: 147 total cpu time spent up to now is 191.0 secs Computing kpt #: 148 total cpu time spent up to now is 192.1 secs Computing kpt #: 149 total cpu time spent up to now is 193.3 secs Computing kpt #: 150 total cpu time spent up to now is 194.4 secs Computing kpt #: 151 total cpu time spent up to now is 195.6 secs Computing kpt #: 152 total cpu time spent up to now is 196.7 secs Computing kpt #: 153 total cpu time spent up to now is 197.8 secs Computing kpt #: 154 total cpu time spent up to now is 199.0 secs Computing kpt #: 155 total cpu time spent up to now is 200.1 secs Computing kpt #: 156 total cpu time spent up to now is 201.2 secs Computing kpt #: 157 total cpu time spent up to now is 202.3 secs Computing kpt #: 158 total cpu time spent up to now is 203.4 secs Computing kpt #: 159 total cpu time spent up to now is 204.5 secs Computing kpt #: 160 total cpu time spent up to now is 205.6 secs Computing kpt #: 161 total cpu time spent up to now is 206.8 secs Computing kpt #: 162 total cpu time spent up to now is 207.9 secs Computing kpt #: 163 total cpu time spent up to now is 209.0 secs Computing kpt #: 164 total cpu time spent up to now is 210.1 secs Computing kpt #: 165 total cpu time spent up to now is 211.3 secs Computing kpt #: 166 total cpu time spent up to now is 212.4 secs Computing kpt #: 167 total cpu time spent up to now is 213.6 secs Computing kpt #: 168 total cpu time spent up to now is 214.7 secs Computing kpt #: 169 total cpu time spent up to now is 215.9 secs Computing kpt #: 170 total cpu time spent up to now is 217.0 secs Computing kpt #: 171 total cpu time spent up to now is 218.2 secs Computing kpt #: 172 total cpu time spent up to now is 219.4 secs Computing kpt #: 173 total cpu time spent up to now is 220.5 secs Computing kpt #: 174 total cpu time spent up to now is 221.6 secs Computing kpt #: 175 total cpu time spent up to now is 222.6 secs Computing kpt #: 176 total cpu time spent up to now is 223.7 secs Computing kpt #: 177 total cpu time spent up to now is 224.8 secs Computing kpt #: 178 total cpu time spent up to now is 225.8 secs Computing kpt #: 179 total cpu time spent up to now is 226.9 secs Computing kpt #: 180 total cpu time spent up to now is 228.0 secs Computing kpt #: 181 total cpu time spent up to now is 229.0 secs Computing kpt #: 182 total cpu time spent up to now is 230.1 secs Computing kpt #: 183 total cpu time spent up to now is 231.2 secs Computing kpt #: 184 total cpu time spent up to now is 232.4 secs Computing kpt #: 185 total cpu time spent up to now is 233.5 secs Computing kpt #: 186 total cpu time spent up to now is 234.7 secs Computing kpt #: 187 total cpu time spent up to now is 236.0 secs Computing kpt #: 188 total cpu time spent up to now is 237.3 secs Computing kpt #: 189 total cpu time spent up to now is 238.7 secs Computing kpt #: 190 total cpu time spent up to now is 240.0 secs Computing kpt #: 191 total cpu time spent up to now is 241.5 secs Computing kpt #: 192 total cpu time spent up to now is 242.9 secs Computing kpt #: 193 total cpu time spent up to now is 244.3 secs Computing kpt #: 194 total cpu time spent up to now is 245.6 secs Computing kpt #: 195 total cpu time spent up to now is 246.8 secs Computing kpt #: 196 total cpu time spent up to now is 248.0 secs Computing kpt #: 197 total cpu time spent up to now is 249.1 secs Computing kpt #: 198 total cpu time spent up to now is 250.3 secs Computing kpt #: 199 total cpu time spent up to now is 251.4 secs Computing kpt #: 200 total cpu time spent up to now is 252.6 secs Computing kpt #: 201 total cpu time spent up to now is 253.7 secs Computing kpt #: 202 total cpu time spent up to now is 254.8 secs Computing kpt #: 203 total cpu time spent up to now is 255.9 secs Computing kpt #: 204 total cpu time spent up to now is 257.0 secs Computing kpt #: 205 total cpu time spent up to now is 258.1 secs Computing kpt #: 206 total cpu time spent up to now is 259.2 secs Computing kpt #: 207 total cpu time spent up to now is 260.3 secs Computing kpt #: 208 total cpu time spent up to now is 261.4 secs Computing kpt #: 209 total cpu time spent up to now is 262.6 secs Computing kpt #: 210 total cpu time spent up to now is 263.7 secs Computing kpt #: 211 total cpu time spent up to now is 264.8 secs Computing kpt #: 212 total cpu time spent up to now is 265.9 secs Computing kpt #: 213 total cpu time spent up to now is 267.1 secs Computing kpt #: 214 total cpu time spent up to now is 268.3 secs Computing kpt #: 215 total cpu time spent up to now is 269.4 secs Computing kpt #: 216 total cpu time spent up to now is 270.7 secs Computing kpt #: 217 total cpu time spent up to now is 272.1 secs Computing kpt #: 218 total cpu time spent up to now is 273.2 secs Computing kpt #: 219 total cpu time spent up to now is 274.3 secs Computing kpt #: 220 total cpu time spent up to now is 275.4 secs Computing kpt #: 221 total cpu time spent up to now is 276.5 secs Computing kpt #: 222 total cpu time spent up to now is 277.7 secs Computing kpt #: 223 total cpu time spent up to now is 278.8 secs Computing kpt #: 224 total cpu time spent up to now is 279.9 secs Computing kpt #: 225 total cpu time spent up to now is 281.0 secs Computing kpt #: 226 total cpu time spent up to now is 282.2 secs Computing kpt #: 227 total cpu time spent up to now is 283.3 secs Computing kpt #: 228 total cpu time spent up to now is 284.5 secs Computing kpt #: 229 total cpu time spent up to now is 285.6 secs Computing kpt #: 230 total cpu time spent up to now is 286.7 secs Computing kpt #: 231 total cpu time spent up to now is 287.9 secs Computing kpt #: 232 total cpu time spent up to now is 289.3 secs Computing kpt #: 233 total cpu time spent up to now is 290.6 secs Computing kpt #: 234 total cpu time spent up to now is 291.9 secs Computing kpt #: 235 total cpu time spent up to now is 293.3 secs Computing kpt #: 236 total cpu time spent up to now is 294.7 secs Computing kpt #: 237 total cpu time spent up to now is 296.0 secs Computing kpt #: 238 total cpu time spent up to now is 297.5 secs Computing kpt #: 239 total cpu time spent up to now is 299.0 secs Computing kpt #: 240 total cpu time spent up to now is 300.3 secs Computing kpt #: 241 total cpu time spent up to now is 301.7 secs Computing kpt #: 242 total cpu time spent up to now is 303.0 secs Computing kpt #: 243 total cpu time spent up to now is 304.4 secs Computing kpt #: 244 total cpu time spent up to now is 305.9 secs Computing kpt #: 245 total cpu time spent up to now is 307.0 secs Computing kpt #: 246 total cpu time spent up to now is 308.0 secs Computing kpt #: 247 total cpu time spent up to now is 309.1 secs Computing kpt #: 248 total cpu time spent up to now is 310.2 secs Computing kpt #: 249 total cpu time spent up to now is 311.2 secs Computing kpt #: 250 total cpu time spent up to now is 312.3 secs Computing kpt #: 251 total cpu time spent up to now is 313.3 secs Computing kpt #: 252 total cpu time spent up to now is 314.4 secs Computing kpt #: 253 total cpu time spent up to now is 315.5 secs Computing kpt #: 254 total cpu time spent up to now is 316.6 secs Computing kpt #: 255 total cpu time spent up to now is 317.7 secs Computing kpt #: 256 total cpu time spent up to now is 318.7 secs Computing kpt #: 257 total cpu time spent up to now is 319.8 secs Computing kpt #: 258 total cpu time spent up to now is 320.9 secs Computing kpt #: 259 total cpu time spent up to now is 321.9 secs Computing kpt #: 260 total cpu time spent up to now is 323.0 secs Computing kpt #: 261 total cpu time spent up to now is 324.1 secs Computing kpt #: 262 total cpu time spent up to now is 325.2 secs Computing kpt #: 263 total cpu time spent up to now is 326.3 secs Computing kpt #: 264 total cpu time spent up to now is 327.3 secs Computing kpt #: 265 total cpu time spent up to now is 328.4 secs Computing kpt #: 266 total cpu time spent up to now is 329.5 secs Computing kpt #: 267 total cpu time spent up to now is 330.6 secs Computing kpt #: 268 total cpu time spent up to now is 331.6 secs Computing kpt #: 269 total cpu time spent up to now is 332.7 secs Computing kpt #: 270 total cpu time spent up to now is 333.8 secs ethr = 1.85E-08, avg # of iterations = 20.5 total cpu time spent up to now is 333.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13481 PWs) bands (ev): -15.2663 -15.2663 -8.4877 -8.4877 -7.7741 -7.7741 -4.0199 -4.0199 -2.5930 -2.5930 -2.5749 -2.5749 -0.4201 -0.4201 -0.1090 -0.1090 -0.1061 -0.1061 1.6539 1.6539 1.8229 1.8229 2.0840 2.0840 2.1312 2.1312 2.1393 2.1393 2.1469 2.1469 2.2959 2.2959 2.6589 2.6589 2.6819 2.6819 2.8967 2.8967 2.9711 2.9711 3.0179 3.0179 3.0780 3.0780 3.2575 3.2575 3.2674 3.2674 3.6347 3.6347 4.5450 4.5450 4.5473 4.5473 6.6074 6.6074 7.0692 7.0692 8.0366 8.0366 8.0554 8.0554 9.1324 9.1324 k = 0.0147 0.0085-0.0000 ( 13485 PWs) bands (ev): -15.2662 -15.2662 -8.4874 -8.4874 -7.7744 -7.7744 -4.0200 -4.0200 -2.5933 -2.5933 -2.5752 -2.5752 -0.4191 -0.4191 -0.1083 -0.1083 -0.1052 -0.1052 1.6544 1.6544 1.8205 1.8205 2.0761 2.0761 2.1147 2.1147 2.1514 2.1514 2.1528 2.1528 2.2979 2.2979 2.6598 2.6598 2.6831 2.6831 2.8975 2.8975 2.9718 2.9718 3.0190 3.0190 3.0784 3.0784 3.2574 3.2574 3.2674 3.2674 3.6342 3.6342 4.5428 4.5428 4.5459 4.5459 6.6098 6.6098 7.0718 7.0718 8.0336 8.0336 8.0540 8.0540 9.1354 9.1354 k = 0.0294 0.0170-0.0000 ( 13463 PWs) bands (ev): -15.2662 -15.2662 -8.4865 -8.4865 -7.7753 -7.7753 -4.0205 -4.0205 -2.5943 -2.5943 -2.5762 -2.5762 -0.4161 -0.4161 -0.1064 -0.1064 -0.1025 -0.1025 1.6557 1.6557 1.8133 1.8133 2.0564 2.0564 2.0918 2.0918 2.1610 2.1610 2.1675 2.1675 2.3035 2.3035 2.6623 2.6623 2.6866 2.6866 2.9000 2.9000 2.9740 2.9740 3.0223 3.0223 3.0794 3.0794 3.2570 3.2570 3.2673 3.2673 3.6327 3.6327 4.5348 4.5348 4.5432 4.5432 6.6170 6.6170 7.0795 7.0795 8.0191 8.0191 8.0558 8.0558 9.1431 9.1431 k = 0.0441 0.0255-0.0000 ( 13457 PWs) bands (ev): -15.2660 -15.2660 -8.4852 -8.4852 -7.7768 -7.7768 -4.0213 -4.0213 -2.5960 -2.5960 -2.5778 -2.5778 -0.4112 -0.4112 -0.1035 -0.1035 -0.0975 -0.0975 1.6578 1.6578 1.8016 1.8016 2.0294 2.0294 2.0668 2.0668 2.1702 2.1702 2.1816 2.1816 2.3117 2.3117 2.6662 2.6662 2.6922 2.6922 2.9039 2.9039 2.9775 2.9775 3.0279 3.0279 3.0812 3.0812 3.2563 3.2563 3.2673 3.2673 3.6302 3.6302 4.5210 4.5210 4.5392 4.5392 6.6286 6.6286 7.0922 7.0922 7.9916 7.9916 8.0637 8.0637 9.1538 9.1538 k = 0.0588 0.0340-0.0000 ( 13453 PWs) bands (ev): -15.2659 -15.2659 -8.4832 -8.4832 -7.7789 -7.7789 -4.0224 -4.0224 -2.5983 -2.5983 -2.5800 -2.5800 -0.4044 -0.4044 -0.0998 -0.0998 -0.0904 -0.0904 1.6604 1.6604 1.7857 1.7857 1.9972 1.9972 2.0405 2.0405 2.1781 2.1781 2.1954 2.1954 2.3214 2.3214 2.6711 2.6711 2.6995 2.6995 2.9087 2.9087 2.9823 2.9823 3.0356 3.0356 3.0837 3.0837 3.2552 3.2552 3.2674 3.2674 3.6268 3.6268 4.5021 4.5021 4.5339 4.5339 6.6444 6.6444 7.1099 7.1099 7.9549 7.9549 8.0760 8.0760 9.1672 9.1672 k = 0.0735 0.0425-0.0000 ( 13453 PWs) bands (ev): -15.2657 -15.2657 -8.4807 -8.4807 -7.7817 -7.7817 -4.0237 -4.0237 -2.6014 -2.6014 -2.5825 -2.5825 -0.3958 -0.3958 -0.0952 -0.0952 -0.0813 -0.0813 1.6631 1.6631 1.7661 1.7661 1.9612 1.9612 2.0132 2.0132 2.1850 2.1850 2.2088 2.2088 2.3318 2.3318 2.6768 2.6768 2.7082 2.7082 2.9141 2.9141 2.9884 2.9884 3.0454 3.0454 3.0871 3.0871 3.2536 3.2536 3.2680 3.2680 3.6224 3.6224 4.4785 4.4785 4.5273 4.5273 6.6637 6.6637 7.1323 7.1323 7.9117 7.9117 8.0921 8.0921 9.1836 9.1836 k = 0.0882 0.0509-0.0000 ( 13451 PWs) bands (ev): -15.2654 -15.2654 -8.4777 -8.4777 -7.7850 -7.7850 -4.0253 -4.0253 -2.6052 -2.6052 -2.5854 -2.5854 -0.3856 -0.3856 -0.0896 -0.0896 -0.0703 -0.0703 1.6649 1.6649 1.7436 1.7436 1.9232 1.9232 1.9851 1.9851 2.1913 2.1913 2.2219 2.2219 2.3426 2.3426 2.6828 2.6828 2.7178 2.7178 2.9196 2.9196 2.9956 2.9956 3.0569 3.0569 3.0913 3.0913 3.2515 3.2515 3.2690 3.2690 3.6170 3.6170 4.4507 4.4507 4.5194 4.5194 6.6856 6.6856 7.1591 7.1591 7.8645 7.8645 8.1118 8.1118 9.2031 9.2031 k = 0.1029 0.0594-0.0000 ( 13443 PWs) bands (ev): -15.2652 -15.2652 -8.4741 -8.4741 -7.7889 -7.7889 -4.0272 -4.0272 -2.6097 -2.6097 -2.5885 -2.5885 -0.3739 -0.3739 -0.0831 -0.0831 -0.0576 -0.0576 1.6636 1.6636 1.7198 1.7198 1.8850 1.8850 1.9560 1.9560 2.1973 2.1973 2.2348 2.2348 2.3533 2.3533 2.6890 2.6890 2.7280 2.7280 2.9249 2.9249 3.0037 3.0037 3.0696 3.0696 3.0967 3.0967 3.2492 3.2492 3.2704 3.2704 3.6108 3.6108 4.4192 4.4192 4.5104 4.5104 6.7093 6.7093 7.1902 7.1902 7.8156 7.8156 8.1351 8.1351 9.2260 9.2260 k = 0.1176 0.0679-0.0000 ( 13449 PWs) bands (ev): -15.2648 -15.2648 -8.4700 -8.4700 -7.7934 -7.7934 -4.0293 -4.0293 -2.6147 -2.6147 -2.5918 -2.5918 -0.3608 -0.3608 -0.0757 -0.0757 -0.0433 -0.0433 1.6535 1.6535 1.6991 1.6991 1.8492 1.8492 1.9261 1.9261 2.2032 2.2032 2.2475 2.2475 2.3640 2.3640 2.6952 2.6952 2.7384 2.7384 2.9297 2.9297 3.0124 3.0124 3.0827 3.0827 3.1037 3.1037 3.2468 3.2468 3.2724 3.2724 3.6037 3.6037 4.3845 4.3845 4.5005 4.5005 6.7335 6.7335 7.2254 7.2254 7.7674 7.7674 8.1616 8.1616 9.2520 9.2520 k = 0.1324 0.0764-0.0000 ( 13441 PWs) bands (ev): -15.2645 -15.2645 -8.4654 -8.4654 -7.7985 -7.7985 -4.0315 -4.0315 -2.6203 -2.6203 -2.5953 -2.5953 -0.3465 -0.3465 -0.0675 -0.0675 -0.0276 -0.0276 1.6292 1.6292 1.6839 1.6839 1.8195 1.8195 1.8955 1.8955 2.2091 2.2091 2.2602 2.2602 2.3746 2.3746 2.7011 2.7011 2.7487 2.7487 2.9339 2.9339 3.0212 3.0212 3.0947 3.0947 3.1130 3.1130 3.2445 3.2445 3.2749 3.2749 3.5958 3.5958 4.3473 4.3473 4.4897 4.4897 6.7569 6.7569 7.2642 7.2642 7.7218 7.7218 8.1914 8.1914 9.2812 9.2812 k = 0.1471 0.0849-0.0000 ( 13449 PWs) bands (ev): -15.2641 -15.2641 -8.4603 -8.4603 -7.8042 -7.8042 -4.0339 -4.0339 -2.6263 -2.6263 -2.5989 -2.5989 -0.3312 -0.3312 -0.0584 -0.0584 -0.0108 -0.0108 1.5952 1.5952 1.6668 1.6668 1.8000 1.8000 1.8647 1.8647 2.2152 2.2152 2.2730 2.2730 2.3852 2.3852 2.7067 2.7067 2.7588 2.7588 2.9376 2.9376 3.0296 3.0296 3.1049 3.1049 3.1249 3.1249 3.2426 3.2426 3.2781 3.2781 3.5872 3.5872 4.3082 4.3082 4.4783 4.4783 6.7777 6.7777 7.3064 7.3064 7.6810 7.6810 8.2243 8.2243 9.3135 9.3135 k = 0.1618 0.0934-0.0000 ( 13445 PWs) bands (ev): -15.2637 -15.2637 -8.4546 -8.4546 -7.8105 -7.8105 -4.0364 -4.0364 -2.6325 -2.6325 -2.6026 -2.6026 -0.3149 -0.3149 -0.0485 -0.0485 0.0069 0.0069 1.5559 1.5559 1.6425 1.6425 1.7913 1.7913 1.8345 1.8345 2.2214 2.2214 2.2861 2.2861 2.3959 2.3959 2.7120 2.7120 2.7685 2.7685 2.9408 2.9408 3.0370 3.0370 3.1141 3.1141 3.1379 3.1379 3.2415 3.2415 3.2820 3.2820 3.5780 3.5780 4.2677 4.2677 4.4665 4.4665 6.7943 6.7943 7.3516 7.3516 7.6472 7.6472 8.2602 8.2602 9.3488 9.3488 k = 0.1765 0.1019-0.0000 ( 13451 PWs) bands (ev): -15.2632 -15.2632 -8.4484 -8.4484 -7.8173 -7.8173 -4.0391 -4.0391 -2.6389 -2.6389 -2.6064 -2.6064 -0.2979 -0.2979 -0.0378 -0.0378 0.0252 0.0252 1.5135 1.5135 1.6123 1.6123 1.7847 1.7847 1.8110 1.8110 2.2279 2.2279 2.2994 2.2994 2.4067 2.4067 2.7168 2.7168 2.7776 2.7776 2.9434 2.9434 3.0428 3.0428 3.1230 3.1230 3.1503 3.1503 3.2417 3.2417 3.2868 3.2868 3.5684 3.5684 4.2266 4.2266 4.4543 4.4543 6.8049 6.8049 7.3996 7.3996 7.6221 7.6221 8.2990 8.2990 9.3870 9.3870 k = 0.1912 0.1104-0.0000 ( 13445 PWs) bands (ev): -15.2628 -15.2628 -8.4418 -8.4418 -7.8246 -7.8246 -4.0417 -4.0417 -2.6453 -2.6453 -2.6103 -2.6103 -0.2801 -0.2801 -0.0265 -0.0265 0.0438 0.0438 1.4694 1.4694 1.5791 1.5791 1.7612 1.7612 1.8101 1.8101 2.2346 2.2346 2.3131 2.3131 2.4176 2.4176 2.7213 2.7213 2.7862 2.7862 2.9456 2.9456 3.0466 3.0466 3.1318 3.1318 3.1609 3.1609 3.2437 3.2437 3.2923 3.2923 3.5585 3.5585 4.1853 4.1854 4.4419 4.4419 6.8080 6.8080 7.4498 7.4498 7.6074 7.6074 8.3405 8.3405 9.4281 9.4281 k = 0.2059 0.1189-0.0000 ( 13437 PWs) bands (ev): -15.2623 -15.2623 -8.4347 -8.4347 -7.8325 -7.8325 -4.0444 -4.0444 -2.6517 -2.6517 -2.6143 -2.6143 -0.2618 -0.2618 -0.0146 -0.0146 0.0623 0.0623 1.4245 1.4245 1.5446 1.5446 1.7304 1.7304 1.8200 1.8200 2.2416 2.2416 2.3272 2.3272 2.4287 2.4287 2.7254 2.7254 2.7942 2.7942 2.9473 2.9473 3.0481 3.0481 3.1403 3.1403 3.1689 3.1689 3.2478 3.2478 3.2986 3.2986 3.5485 3.5485 4.1447 4.1447 4.4295 4.4295 6.8031 6.8031 7.5018 7.5018 7.6037 7.6037 8.3845 8.3845 9.4719 9.4719 k = 0.2206 0.1274-0.0000 ( 13415 PWs) bands (ev): -15.2618 -15.2618 -8.4272 -8.4272 -7.8408 -7.8408 -4.0471 -4.0471 -2.6580 -2.6580 -2.6183 -2.6183 -0.2430 -0.2430 -0.0021 -0.0021 0.0804 0.0804 1.3799 1.3799 1.5097 1.5097 1.6985 1.6985 1.8335 1.8335 2.2490 2.2490 2.3417 2.3417 2.4401 2.4401 2.7292 2.7292 2.8016 2.8016 2.9485 2.9485 3.0472 3.0472 3.1480 3.1480 3.1742 3.1742 3.2538 3.2538 3.3057 3.3057 3.5388 3.5388 4.1052 4.1052 4.4172 4.4172 6.7900 6.7900 7.5550 7.5550 7.6110 7.6110 8.4310 8.4310 9.5183 9.5183 k = 0.2353 0.1358-0.0000 ( 13419 PWs) bands (ev): -15.2613 -15.2613 -8.4192 -8.4192 -7.8497 -7.8497 -4.0498 -4.0498 -2.6640 -2.6640 -2.6223 -2.6223 -0.2239 -0.2239 0.0108 0.0108 0.0977 0.0977 1.3363 1.3363 1.4748 1.4748 1.6665 1.6665 1.8491 1.8491 2.2568 2.2568 2.3566 2.3566 2.4518 2.4518 2.7326 2.7326 2.8084 2.8084 2.9494 2.9494 3.0441 3.0441 3.1543 3.1543 3.1771 3.1771 3.2608 3.2608 3.3134 3.3134 3.5297 3.5297 4.0677 4.0677 4.4051 4.4051 6.7700 6.7700 7.6086 7.6086 7.6284 7.6284 8.4797 8.4797 9.5671 9.5671 k = 0.2500 0.1443-0.0000 ( 13417 PWs) bands (ev): -15.2608 -15.2608 -8.4109 -8.4109 -7.8589 -7.8589 -4.0524 -4.0524 -2.6697 -2.6697 -2.6263 -2.6263 -0.2045 -0.2045 0.0241 0.0241 0.1138 0.1138 1.2945 1.2945 1.4403 1.4403 1.6347 1.6347 1.8660 1.8660 2.2651 2.2651 2.3720 2.3720 2.4637 2.4637 2.7358 2.7358 2.8146 2.8146 2.9497 2.9497 3.0389 3.0389 3.1585 3.1585 3.1783 3.1783 3.2680 3.2680 3.3215 3.3215 3.5216 3.5216 4.0327 4.0327 4.3933 4.3933 6.7442 6.7442 7.6529 7.6529 7.6636 7.6636 8.5304 8.5304 9.6183 9.6183 k = 0.2647 0.1528-0.0000 ( 13406 PWs) bands (ev): -15.2603 -15.2603 -8.4022 -8.4022 -7.8686 -7.8686 -4.0549 -4.0549 -2.6751 -2.6751 -2.6302 -2.6302 -0.1849 -0.1849 0.0378 0.0378 0.1285 0.1285 1.2550 1.2550 1.4063 1.4063 1.6034 1.6034 1.8838 1.8838 2.2740 2.2740 2.3877 2.3877 2.4760 2.4760 2.7387 2.7387 2.8203 2.8203 2.9496 2.9496 3.0318 3.0318 3.1603 3.1603 3.1781 3.1781 3.2743 3.2743 3.3298 3.3298 3.5147 3.5147 4.0008 4.0008 4.3819 4.3819 6.7145 6.7145 7.6858 7.6858 7.7164 7.7164 8.5830 8.5830 9.6715 9.6715 k = 0.2794 0.1613-0.0000 ( 13396 PWs) bands (ev): -15.2598 -15.2598 -8.3932 -8.3932 -7.8785 -7.8785 -4.0573 -4.0573 -2.6801 -2.6801 -2.6341 -2.6341 -0.1653 -0.1653 0.0516 0.0516 0.1413 0.1413 1.2183 1.2183 1.3729 1.3729 1.5727 1.5727 1.9023 1.9023 2.2836 2.2836 2.4038 2.4038 2.4886 2.4886 2.7414 2.7414 2.8254 2.8254 2.9489 2.9489 3.0233 3.0233 3.1592 3.1592 3.1765 3.1765 3.2791 3.2791 3.3383 3.3383 3.5095 3.5095 3.9728 3.9728 4.3710 4.3710 6.6821 6.6821 7.7234 7.7234 7.7683 7.7683 8.6371 8.6371 9.7267 9.7267 k = 0.2941 0.1698-0.0000 ( 13404 PWs) bands (ev): -15.2593 -15.2593 -8.3840 -8.3840 -7.8888 -7.8888 -4.0596 -4.0596 -2.6848 -2.6848 -2.6378 -2.6378 -0.1458 -0.1458 0.0655 0.0655 0.1520 0.1520 1.1848 1.1848 1.3403 1.3403 1.5427 1.5427 1.9210 1.9210 2.2942 2.2942 2.4202 2.4202 2.5014 2.5014 2.7438 2.7438 2.8301 2.8301 2.9475 2.9475 3.0136 3.0136 3.1552 3.1552 3.1734 3.1734 3.2817 3.2817 3.3468 3.3468 3.5061 3.5061 3.9490 3.9490 4.3607 4.3607 6.6485 6.6485 7.7643 7.7643 7.8186 7.8186 8.6925 8.6925 9.7834 9.7834 k = 0.3088 0.1783-0.0000 ( 13402 PWs) bands (ev): -15.2588 -15.2588 -8.3745 -8.3745 -7.8993 -7.8993 -4.0618 -4.0618 -2.6890 -2.6890 -2.6414 -2.6414 -0.1264 -0.1264 0.0793 0.0793 0.1606 0.1606 1.1547 1.1547 1.3087 1.3087 1.5137 1.5137 1.9398 1.9398 2.3057 2.3057 2.4367 2.4367 2.5145 2.5145 2.7461 2.7461 2.8342 2.8342 2.9452 2.9452 3.0033 3.0033 3.1485 3.1485 3.1685 3.1685 3.2821 3.2821 3.3554 3.3554 3.5046 3.5046 3.9298 3.9298 4.3510 4.3510 6.6147 6.6147 7.8070 7.8070 7.8669 7.8669 8.7490 8.7490 9.8414 9.8414 k = 0.3235 0.1868-0.0000 ( 13408 PWs) bands (ev): -15.2584 -15.2584 -8.3649 -8.3649 -7.9099 -7.9099 -4.0638 -4.0638 -2.6928 -2.6928 -2.6448 -2.6448 -0.1073 -0.1073 0.0930 0.0930 0.1668 0.1668 1.1282 1.1282 1.2782 1.2782 1.4859 1.4859 1.9583 1.9583 2.3184 2.3184 2.4534 2.4534 2.5278 2.5278 2.7481 2.7481 2.8376 2.8376 2.9416 2.9416 2.9929 2.9929 3.1390 3.1390 3.1617 3.1617 3.2806 3.2806 3.3640 3.3640 3.5047 3.5047 3.9152 3.9152 4.3419 4.3419 6.5814 6.5814 7.8498 7.8498 7.9132 7.9132 8.8060 8.8060 9.9003 9.9003 k = 0.3382 0.1953-0.0000 ( 13388 PWs) bands (ev): -15.2579 -15.2579 -8.3552 -8.3552 -7.9205 -7.9205 -4.0657 -4.0657 -2.6963 -2.6963 -2.6481 -2.6481 -0.0887 -0.0887 0.1063 0.1063 0.1708 0.1708 1.1054 1.1054 1.2490 1.2490 1.4593 1.4593 1.9762 1.9762 2.3324 2.3324 2.4700 2.4700 2.5414 2.5414 2.7500 2.7500 2.8402 2.8402 2.9365 2.9365 2.9831 2.9831 3.1266 3.1266 3.1531 3.1531 3.2776 3.2776 3.3724 3.3724 3.5062 3.5062 3.9049 3.9049 4.3334 4.3334 6.5493 6.5493 7.8908 7.8908 7.9581 7.9581 8.8632 8.8632 9.9594 9.9594 k = 0.3529 0.2038-0.0000 ( 13408 PWs) bands (ev): -15.2575 -15.2575 -8.3455 -8.3455 -7.9311 -7.9311 -4.0674 -4.0674 -2.6993 -2.6993 -2.6511 -2.6511 -0.0706 -0.0706 0.1190 0.1190 0.1728 0.1728 1.0861 1.0861 1.2213 1.2213 1.4342 1.4342 1.9932 1.9932 2.3479 2.3479 2.4863 2.4863 2.5550 2.5550 2.7515 2.7515 2.8417 2.8417 2.9298 2.9298 2.9744 2.9744 3.1117 3.1117 3.1430 3.1430 3.2739 3.2739 3.3805 3.3805 3.5088 3.5088 3.8986 3.8986 4.3257 4.3257 6.5189 6.5189 7.9280 7.9280 8.0024 8.0024 8.9201 8.9201 10.0182 10.0182 k = 0.3676 0.2123-0.0000 ( 13402 PWs) bands (ev): -15.2571 -15.2571 -8.3360 -8.3360 -7.9416 -7.9416 -4.0690 -4.0690 -2.7019 -2.7019 -2.6539 -2.6539 -0.0533 -0.0533 0.1309 0.1309 0.1732 0.1732 1.0702 1.0702 1.1953 1.1953 1.4107 1.4107 2.0091 2.0091 2.3650 2.3650 2.5022 2.5022 2.5687 2.5687 2.7528 2.7528 2.8412 2.8412 2.9221 2.9221 2.9669 2.9669 3.0947 3.0947 3.1317 3.1317 3.2699 3.2699 3.3881 3.3881 3.5120 3.5120 3.8958 3.8958 4.3187 4.3187 6.4906 6.4906 7.9600 7.9600 8.0465 8.0465 8.9761 8.9761 10.0757 10.0757 k = 0.3824 0.2208-0.0000 ( 13412 PWs) bands (ev): -15.2567 -15.2567 -8.3267 -8.3267 -7.9517 -7.9517 -4.0704 -4.0704 -2.7042 -2.7042 -2.6564 -2.6564 -0.0370 -0.0370 0.1413 0.1413 0.1726 0.1726 1.0574 1.0574 1.1712 1.1712 1.3891 1.3891 2.0236 2.0236 2.3836 2.3836 2.5173 2.5173 2.5824 2.5824 2.7537 2.7537 2.8379 2.8379 2.9150 2.9150 2.9603 2.9603 3.0763 3.0763 3.1195 3.1195 3.2661 3.2661 3.3952 3.3952 3.5156 3.5156 3.8956 3.8956 4.3124 4.3124 6.4647 6.4647 7.9861 7.9861 8.0902 8.0902 9.0305 9.0305 10.1305 10.1305 k = 0.3971 0.2292-0.0000 ( 13410 PWs) bands (ev): -15.2564 -15.2564 -8.3178 -8.3178 -7.9614 -7.9614 -4.0716 -4.0716 -2.7061 -2.7061 -2.6586 -2.6586 -0.0217 -0.0217 0.1490 0.1490 0.1725 0.1725 1.0474 1.0474 1.1491 1.1491 1.3694 1.3694 2.0365 2.0365 2.4038 2.4038 2.5313 2.5313 2.5960 2.5960 2.7541 2.7541 2.8308 2.8308 2.9101 2.9101 2.9540 2.9540 3.0575 3.0575 3.1069 3.1069 3.2627 3.2627 3.4017 3.4017 3.5194 3.5194 3.8973 3.8973 4.3068 4.3068 6.4414 6.4414 8.0067 8.0067 8.1327 8.1327 9.0825 9.0825 10.1795 10.1795 k = 0.4118 0.2377-0.0000 ( 13406 PWs) bands (ev): -15.2561 -15.2561 -8.3095 -8.3095 -7.9704 -7.9704 -4.0726 -4.0726 -2.7077 -2.7077 -2.6606 -2.6606 -0.0078 -0.0078 0.1522 0.1522 0.1752 0.1752 1.0398 1.0398 1.1294 1.1294 1.3519 1.3519 2.0478 2.0478 2.4254 2.4254 2.5438 2.5438 2.6092 2.6092 2.7539 2.7539 2.8198 2.8198 2.9084 2.9084 2.9475 2.9475 3.0390 3.0390 3.0944 3.0944 3.2598 3.2598 3.4074 3.4074 3.5230 3.5230 3.9004 3.9004 4.3020 4.3020 6.4210 6.4210 8.0224 8.0224 8.1727 8.1727 9.1312 9.1312 10.2120 10.2120 k = 0.4265 0.2462-0.0000 ( 13396 PWs) bands (ev): -15.2559 -15.2559 -8.3019 -8.3019 -7.9786 -7.9786 -4.0735 -4.0735 -2.7090 -2.7090 -2.6623 -2.6623 0.0047 0.0047 0.1510 0.1510 0.1805 0.1805 1.0342 1.0342 1.1121 1.1121 1.3367 1.3367 2.0574 2.0574 2.4480 2.4480 2.5545 2.5545 2.6218 2.6218 2.7527 2.7527 2.8061 2.8061 2.9095 2.9095 2.9408 2.9408 3.0215 3.0215 3.0827 3.0827 3.2574 3.2574 3.4124 3.4124 3.5263 3.5263 3.9041 3.9041 4.2979 4.2979 6.4034 6.4034 8.0339 8.0339 8.2092 8.2092 9.1754 9.1754 10.2230 10.2230 k = 0.4412 0.2547-0.0000 ( 13384 PWs) bands (ev): -15.2557 -15.2557 -8.2953 -8.2953 -7.9857 -7.9857 -4.0742 -4.0742 -2.7101 -2.7101 -2.6636 -2.6636 0.0154 0.0154 0.1480 0.1480 0.1864 0.1864 1.0302 1.0302 1.0976 1.0976 1.3241 1.3241 2.0651 2.0651 2.4712 2.4712 2.5627 2.5627 2.6331 2.6331 2.7501 2.7501 2.7918 2.7918 2.9121 2.9121 2.9349 2.9349 3.0055 3.0055 3.0724 3.0724 3.2556 3.2556 3.4165 3.4165 3.5292 3.5292 3.9079 3.9079 4.2945 4.2945 6.3890 6.3890 8.0421 8.0421 8.2410 8.2410 9.2140 9.2140 10.2264 10.2264 k = 0.4559 0.2632-0.0000 ( 13388 PWs) bands (ev): -15.2555 -15.2555 -8.2899 -8.2899 -7.9915 -7.9915 -4.0748 -4.0748 -2.7108 -2.7108 -2.6647 -2.6647 0.0241 0.0241 0.1447 0.1447 0.1916 0.1916 1.0276 1.0276 1.0860 1.0860 1.3141 1.3141 2.0711 2.0711 2.4940 2.4940 2.5680 2.5680 2.6422 2.6422 2.7460 2.7460 2.7793 2.7793 2.9135 2.9135 2.9323 2.9323 2.9908 2.9908 3.0640 3.0640 3.2542 3.2542 3.4197 3.4197 3.5316 3.5316 3.9113 3.9113 4.2919 4.2919 6.3776 6.3776 8.0476 8.0476 8.2670 8.2670 9.2458 9.2458 10.2262 10.2262 k = 0.4706 0.2717-0.0000 ( 13396 PWs) bands (ev): -15.2554 -15.2554 -8.2859 -8.2859 -7.9958 -7.9958 -4.0752 -4.0752 -2.7114 -2.7114 -2.6655 -2.6655 0.0305 0.0305 0.1418 0.1418 0.1955 0.1955 1.0260 1.0260 1.0775 1.0775 1.3068 1.3068 2.0754 2.0754 2.5152 2.5152 2.5698 2.5698 2.6484 2.6484 2.7411 2.7411 2.7703 2.7703 2.9115 2.9115 2.9359 2.9359 2.9774 2.9774 3.0578 3.0578 3.2532 3.2532 3.4220 3.4220 3.5334 3.5334 3.9140 3.9140 4.2901 4.2901 6.3695 6.3695 8.0510 8.0510 8.2863 8.2863 9.2696 9.2696 10.2238 10.2238 k = 0.4853 0.2802-0.0000 ( 13380 PWs) bands (ev): -15.2553 -15.2553 -8.2834 -8.2834 -7.9985 -7.9985 -4.0754 -4.0754 -2.7117 -2.7117 -2.6660 -2.6660 0.0346 0.0346 0.1398 0.1398 0.1980 0.1980 1.0251 1.0251 1.0723 1.0723 1.3024 1.3024 2.0779 2.0779 2.5326 2.5326 2.5679 2.5679 2.6513 2.6513 2.7373 2.7373 2.7651 2.7651 2.9087 2.9087 2.9437 2.9437 2.9650 2.9650 3.0540 3.0540 3.2526 3.2526 3.4234 3.4234 3.5344 3.5344 3.9157 3.9157 4.2890 4.2890 6.3646 6.3646 8.0529 8.0529 8.2983 8.2983 9.2843 9.2843 10.2213 10.2213 k = 0.5000 0.2887-0.0000 ( 13404 PWs) bands (ev): -15.2553 -15.2553 -8.2825 -8.2825 -7.9994 -7.9994 -4.0755 -4.0755 -2.7118 -2.7118 -2.6661 -2.6661 0.0359 0.0359 0.1392 0.1392 0.1988 0.1988 1.0249 1.0249 1.0705 1.0705 1.3010 1.3010 2.0788 2.0788 2.5407 2.5407 2.5654 2.5654 2.6520 2.6520 2.7359 2.7359 2.7633 2.7633 2.9076 2.9076 2.9526 2.9526 2.9548 2.9548 3.0528 3.0528 3.2524 3.2524 3.4239 3.4239 3.5348 3.5348 3.9163 3.9163 4.2886 4.2886 6.3629 6.3629 8.0535 8.0535 8.3023 8.3023 9.2893 9.2893 10.2203 10.2203 k = 0.5000 0.2887-0.0000 ( 13404 PWs) bands (ev): -15.2553 -15.2553 -8.2825 -8.2825 -7.9994 -7.9994 -4.0755 -4.0755 -2.7118 -2.7118 -2.6661 -2.6661 0.0359 0.0359 0.1392 0.1392 0.1988 0.1988 1.0249 1.0249 1.0705 1.0705 1.3010 1.3010 2.0788 2.0788 2.5407 2.5407 2.5654 2.5654 2.6520 2.6520 2.7359 2.7359 2.7633 2.7633 2.9076 2.9076 2.9526 2.9526 2.9548 2.9548 3.0528 3.0528 3.2524 3.2524 3.4239 3.4239 3.5348 3.5348 3.9163 3.9163 4.2886 4.2886 6.3629 6.3629 8.0535 8.0535 8.3023 8.3023 9.2893 9.2893 10.2203 10.2203 k = 0.4917 0.3031-0.0000 ( 13374 PWs) bands (ev): -15.2553 -15.2553 -8.2821 -8.2821 -7.9999 -7.9999 -4.0755 -4.0755 -2.7117 -2.7117 -2.6661 -2.6661 0.0357 0.0357 0.1389 0.1389 0.1977 0.1977 1.0252 1.0252 1.0715 1.0715 1.3005 1.3005 2.0795 2.0795 2.5388 2.5388 2.5664 2.5664 2.6531 2.6531 2.7337 2.7337 2.7654 2.7654 2.9075 2.9075 2.9516 2.9516 2.9562 2.9562 3.0528 3.0528 3.2522 3.2522 3.4249 3.4249 3.5354 3.5354 3.9160 3.9160 4.2849 4.2849 6.3683 6.3683 8.0514 8.0514 8.2998 8.2998 9.2845 9.2845 10.2273 10.2273 k = 0.4833 0.3175-0.0000 ( 13376 PWs) bands (ev): -15.2553 -15.2553 -8.2810 -8.2810 -8.0011 -8.0011 -4.0754 -4.0754 -2.7114 -2.7114 -2.6661 -2.6661 0.0352 0.0352 0.1382 0.1382 0.1945 0.1945 1.0261 1.0261 1.0745 1.0745 1.2992 1.2992 2.0818 2.0818 2.5339 2.5339 2.5687 2.5687 2.6563 2.6563 2.7285 2.7285 2.7705 2.7705 2.9073 2.9073 2.9500 2.9500 2.9589 2.9589 3.0528 3.0528 3.2515 3.2515 3.4278 3.4278 3.5374 3.5374 3.9150 3.9150 4.2741 4.2741 6.3845 6.3845 8.0450 8.0450 8.2925 8.2925 9.2707 9.2707 10.2457 10.2457 k = 0.4750 0.3320-0.0000 ( 13388 PWs) bands (ev): -15.2553 -15.2553 -8.2791 -8.2791 -8.0033 -8.0033 -4.0753 -4.0753 -2.7108 -2.7108 -2.6661 -2.6661 0.0343 0.0343 0.1369 0.1369 0.1893 0.1893 1.0277 1.0277 1.0792 1.0792 1.2970 1.2970 2.0856 2.0856 2.5272 2.5272 2.5715 2.5715 2.6613 2.6613 2.7221 2.7221 2.7766 2.7766 2.9071 2.9071 2.9481 2.9481 2.9626 2.9626 3.0528 3.0528 3.2505 3.2505 3.4324 3.4324 3.5406 3.5406 3.9134 3.9134 4.2566 4.2566 6.4108 6.4108 8.0346 8.0346 8.2805 8.2805 9.2494 9.2494 10.2276 10.2276 k = 0.4667 0.3464-0.0000 ( 13392 PWs) bands (ev): -15.2552 -15.2552 -8.2764 -8.2764 -8.0062 -8.0062 -4.0751 -4.0751 -2.7100 -2.7100 -2.6661 -2.6661 0.0331 0.0331 0.1350 0.1350 0.1823 0.1823 1.0299 1.0299 1.0855 1.0855 1.2939 1.2939 2.0909 2.0909 2.5192 2.5192 2.5744 2.5744 2.6673 2.6673 2.7155 2.7155 2.7832 2.7832 2.9069 2.9069 2.9459 2.9459 2.9673 2.9673 3.0527 3.0527 3.2492 3.2492 3.4386 3.4386 3.5450 3.5450 3.9111 3.9111 4.2330 4.2330 6.4467 6.4467 8.0203 8.0203 8.2645 8.2645 9.2225 9.2225 10.1477 10.1477 k = 0.4583 0.3608-0.0000 ( 13400 PWs) bands (ev): -15.2551 -15.2551 -8.2730 -8.2730 -8.0100 -8.0100 -4.0749 -4.0749 -2.7090 -2.7090 -2.6662 -2.6662 0.0317 0.0317 0.1326 0.1326 0.1739 0.1739 1.0329 1.0329 1.0931 1.0931 1.2901 1.2901 2.0976 2.0976 2.5104 2.5104 2.5773 2.5773 2.6737 2.6737 2.7095 2.7095 2.7897 2.7897 2.9070 2.9070 2.9434 2.9434 2.9729 2.9729 3.0526 3.0526 3.2478 3.2478 3.4460 3.4460 3.5506 3.5506 3.9082 3.9082 4.2043 4.2043 6.4911 6.4911 8.0025 8.0025 8.2448 8.2448 9.1920 9.1920 10.0588 10.0588 k = 0.4500 0.3753-0.0000 ( 13396 PWs) bands (ev): -15.2551 -15.2551 -8.2688 -8.2688 -8.0146 -8.0146 -4.0747 -4.0747 -2.7079 -2.7079 -2.6663 -2.6663 0.0302 0.0302 0.1296 0.1296 0.1645 0.1645 1.0365 1.0365 1.1015 1.1015 1.2855 1.2855 2.1057 2.1057 2.5011 2.5011 2.5801 2.5801 2.6787 2.6787 2.7054 2.7054 2.7960 2.7960 2.9073 2.9073 2.9408 2.9408 2.9792 2.9792 3.0524 3.0524 3.2465 3.2465 3.4543 3.4543 3.5573 3.5573 3.9047 3.9047 4.1715 4.1715 6.5431 6.5431 7.9816 7.9816 8.2221 8.2221 9.1597 9.1597 9.9669 9.9669 k = 0.4417 0.3897-0.0000 ( 13400 PWs) bands (ev): -15.2550 -15.2550 -8.2640 -8.2640 -8.0199 -8.0199 -4.0744 -4.0744 -2.7065 -2.7065 -2.6664 -2.6664 0.0286 0.0286 0.1258 0.1258 0.1545 0.1545 1.0409 1.0409 1.1106 1.1106 1.2802 1.2802 2.1152 2.1152 2.4912 2.4912 2.5829 2.5829 2.6800 2.6800 2.7055 2.7055 2.8022 2.8022 2.9077 2.9077 2.9384 2.9384 2.9860 2.9860 3.0522 3.0522 3.2454 3.2454 3.4631 3.4631 3.5650 3.5650 3.9006 3.9006 4.1355 4.1355 6.6016 6.6016 7.9581 7.9581 8.1971 8.1971 9.1270 9.1270 9.8743 9.8743 k = 0.4333 0.4041-0.0000 ( 13404 PWs) bands (ev): -15.2549 -15.2549 -8.2584 -8.2584 -8.0260 -8.0260 -4.0741 -4.0741 -2.7050 -2.7050 -2.6667 -2.6667 0.0271 0.0271 0.1210 0.1210 0.1444 0.1444 1.0460 1.0460 1.1198 1.1198 1.2743 1.2743 2.1259 2.1259 2.4810 2.4810 2.5855 2.5855 2.6771 2.6771 2.7100 2.7100 2.8083 2.8083 2.9081 2.9081 2.9366 2.9366 2.9932 2.9932 3.0519 3.0519 3.2445 3.2445 3.4719 3.4719 3.5736 3.5736 3.8959 3.8959 4.0976 4.0976 6.6653 6.6653 7.9325 7.9325 8.1704 8.1704 9.0951 9.0951 9.7826 9.7826 k = 0.4250 0.4186-0.0000 ( 13410 PWs) bands (ev): -15.2548 -15.2548 -8.2521 -8.2521 -8.0328 -8.0328 -4.0739 -4.0739 -2.7033 -2.7033 -2.6670 -2.6670 0.0257 0.0257 0.1148 0.1148 0.1350 0.1350 1.0518 1.0518 1.1289 1.1289 1.2678 1.2678 2.1378 2.1378 2.4704 2.4704 2.5879 2.5879 2.6724 2.6724 2.7161 2.7161 2.8145 2.8145 2.9082 2.9082 2.9360 2.9360 3.0004 3.0004 3.0519 3.0519 3.2440 3.2440 3.4802 3.4802 3.5830 3.5830 3.8906 3.8906 4.0588 4.0588 6.7331 6.7331 7.9056 7.9056 8.1425 8.1425 9.0649 9.0649 9.6926 9.6926 k = 0.4167 0.4330-0.0000 ( 13406 PWs) bands (ev): -15.2547 -15.2547 -8.2452 -8.2452 -8.0403 -8.0403 -4.0736 -4.0736 -2.7015 -2.7015 -2.6674 -2.6674 0.0246 0.0246 0.1072 0.1072 0.1268 0.1268 1.0583 1.0583 1.1375 1.1375 1.2609 1.2609 2.1509 2.1509 2.4593 2.4593 2.5899 2.5899 2.6676 2.6676 2.7223 2.7223 2.8208 2.8208 2.9076 2.9076 2.9368 2.9368 3.0070 3.0070 3.0523 3.0523 3.2438 3.2438 3.4874 3.4874 3.5931 3.5931 3.8848 3.8848 4.0203 4.0203 6.8037 6.8037 7.8781 7.8781 8.1140 8.1140 9.0372 9.0372 9.6052 9.6052 k = 0.4083 0.4474-0.0000 ( 13408 PWs) bands (ev): -15.2546 -15.2546 -8.2376 -8.2376 -8.0485 -8.0485 -4.0733 -4.0733 -2.6996 -2.6996 -2.6680 -2.6680 0.0239 0.0239 0.0986 0.0986 0.1195 0.1195 1.0656 1.0656 1.1455 1.1455 1.2534 1.2534 2.1650 2.1650 2.4478 2.4478 2.5914 2.5914 2.6633 2.6633 2.7276 2.7276 2.8274 2.8274 2.9064 2.9064 2.9394 2.9394 3.0124 3.0124 3.0537 3.0537 3.2440 3.2440 3.4930 3.4930 3.6038 3.6038 3.8783 3.8783 3.9835 3.9835 6.8757 6.8757 7.8508 7.8508 8.0853 8.0853 9.0124 9.0124 9.5210 9.5210 k = 0.4000 0.4619-0.0000 ( 13410 PWs) bands (ev): -15.2545 -15.2545 -8.2294 -8.2294 -8.0573 -8.0573 -4.0730 -4.0730 -2.6977 -2.6977 -2.6687 -2.6687 0.0237 0.0237 0.0896 0.0896 0.1129 0.1129 1.0735 1.0735 1.1524 1.1524 1.2456 1.2456 2.1801 2.1801 2.4359 2.4359 2.5921 2.5921 2.6600 2.6600 2.7318 2.7318 2.8343 2.8343 2.9050 2.9050 2.9433 2.9433 3.0158 3.0158 3.0567 3.0567 3.2444 3.2444 3.4963 3.4963 3.6149 3.6149 3.8711 3.8711 3.9496 3.9496 6.9476 6.9476 7.8248 7.8248 8.0566 8.0566 8.9912 8.9912 9.4406 9.4406 k = 0.3917 0.4763-0.0000 ( 13406 PWs) bands (ev): -15.2544 -15.2544 -8.2206 -8.2206 -8.0666 -8.0666 -4.0728 -4.0728 -2.6956 -2.6956 -2.6696 -2.6696 0.0241 0.0241 0.0809 0.0809 0.1064 0.1064 1.0821 1.0821 1.1582 1.1582 1.2375 1.2375 2.1961 2.1961 2.4235 2.4235 2.5919 2.5919 2.6580 2.6580 2.7347 2.7347 2.8413 2.8413 2.9038 2.9038 2.9484 2.9484 3.0170 3.0170 3.0614 3.0614 3.2449 3.2449 3.4969 3.4969 3.6262 3.6262 3.8626 3.8626 3.9203 3.9203 7.0177 7.0177 7.8014 7.8014 8.0283 8.0283 8.9740 8.9740 9.3645 9.3645 k = 0.3833 0.4907-0.0000 ( 13418 PWs) bands (ev): -15.2543 -15.2543 -8.2112 -8.2112 -8.0765 -8.0765 -4.0726 -4.0726 -2.6936 -2.6936 -2.6707 -2.6707 0.0251 0.0251 0.0731 0.0731 0.0998 0.0998 1.0914 1.0914 1.1626 1.1626 1.2291 1.2291 2.2128 2.2128 2.4106 2.4106 2.5907 2.5907 2.6572 2.6572 2.7363 2.7363 2.8481 2.8481 2.9032 2.9032 2.9541 2.9541 3.0162 3.0162 3.0673 3.0673 3.2452 3.2452 3.4946 3.4946 3.6374 3.6374 3.8525 3.8525 3.8972 3.8972 7.0839 7.0839 7.7819 7.7819 8.0003 8.0003 8.9614 8.9614 9.2934 9.2934 k = 0.3750 0.5052-0.0000 ( 13436 PWs) bands (ev): -15.2542 -15.2542 -8.2013 -8.2013 -8.0869 -8.0869 -4.0724 -4.0724 -2.6914 -2.6914 -2.6719 -2.6719 0.0270 0.0270 0.0664 0.0664 0.0930 0.0930 1.1014 1.1014 1.1656 1.1656 1.2206 1.2206 2.2303 2.2303 2.3970 2.3970 2.5888 2.5888 2.6575 2.6575 2.7370 2.7370 2.8542 2.8542 2.9038 2.9038 2.9601 2.9601 3.0143 3.0143 3.0737 3.0737 3.2451 3.2451 3.4898 3.4898 3.6481 3.6481 3.8405 3.8405 3.8810 3.8810 7.1438 7.1438 7.7683 7.7683 7.9727 7.9727 8.9537 8.9537 9.2278 9.2278 k = 0.3667 0.5196-0.0000 ( 13442 PWs) bands (ev): -15.2541 -15.2541 -8.1908 -8.1908 -8.0977 -8.0977 -4.0723 -4.0723 -2.6893 -2.6893 -2.6733 -2.6733 0.0296 0.0296 0.0610 0.0610 0.0860 0.0860 1.1119 1.1119 1.1670 1.1670 1.2121 1.2121 2.2481 2.2481 2.3829 2.3829 2.5863 2.5863 2.6586 2.6586 2.7368 2.7368 2.8591 2.8591 2.9056 2.9056 2.9658 2.9658 3.0120 3.0120 3.0797 3.0797 3.2444 3.2444 3.4832 3.4832 3.6580 3.6580 3.8284 3.8284 3.8706 3.8706 7.1948 7.1948 7.7624 7.7624 7.9451 7.9451 8.9514 8.9514 9.1684 9.1684 k = 0.3583 0.5340-0.0000 ( 13434 PWs) bands (ev): -15.2540 -15.2540 -8.1799 -8.1799 -8.1089 -8.1089 -4.0722 -4.0722 -2.6872 -2.6872 -2.6749 -2.6749 0.0330 0.0330 0.0573 0.0573 0.0787 0.0787 1.1228 1.1228 1.1669 1.1669 1.2037 1.2037 2.2663 2.2663 2.3682 2.3682 2.5838 2.5838 2.6601 2.6601 2.7362 2.7362 2.8626 2.8626 2.9086 2.9086 2.9704 2.9704 3.0102 3.0102 3.0847 3.0847 3.2430 3.2430 3.4760 3.4760 3.6666 3.6666 3.8181 3.8181 3.8638 3.8638 7.2343 7.2343 7.7659 7.7659 7.9175 7.9175 8.9549 8.9549 9.1156 9.1156 k = 0.3500 0.5485-0.0000 ( 13427 PWs) bands (ev): -15.2540 -15.2540 -8.1686 -8.1686 -8.1205 -8.1205 -4.0721 -4.0721 -2.6850 -2.6850 -2.6767 -2.6767 0.0370 0.0370 0.0552 0.0552 0.0712 0.0712 1.1337 1.1337 1.1654 1.1654 1.1958 1.1958 2.2845 2.2845 2.3529 2.3529 2.5815 2.5815 2.6616 2.6616 2.7355 2.7355 2.8649 2.8649 2.9120 2.9120 2.9732 2.9732 3.0098 3.0098 3.0880 3.0880 3.2412 3.2412 3.4698 3.4698 3.6732 3.6732 3.8108 3.8108 3.8594 3.8594 7.2612 7.2612 7.7795 7.7795 7.8894 7.8894 8.9645 8.9645 9.0702 9.0702 k = 0.3417 0.5629-0.0000 ( 13433 PWs) bands (ev): -15.2540 -15.2540 -8.1569 -8.1569 -8.1324 -8.1324 -4.0721 -4.0721 -2.6829 -2.6829 -2.6786 -2.6786 0.0410 0.0410 0.0552 0.0552 0.0639 0.0639 1.1433 1.1433 1.1633 1.1633 1.1891 1.1891 2.3024 2.3024 2.3371 2.3371 2.5799 2.5799 2.6628 2.6628 2.7348 2.7348 2.8662 2.8662 2.9149 2.9149 2.9739 2.9739 3.0107 3.0107 3.0896 3.0896 3.2394 3.2394 3.4657 3.4657 3.6774 3.6774 3.8065 3.8065 3.8570 3.8570 7.2758 7.2758 7.8019 7.8019 7.8605 7.8605 8.9803 8.9803 9.0327 9.0327 k = 0.3333 0.5774-0.0000 ( 13389 PWs) bands (ev): -15.2540 -15.2540 -8.1461 -8.1461 -8.1431 -8.1431 -4.0720 -4.0720 -2.6812 -2.6812 -2.6802 -2.6802 0.0432 0.0432 0.0575 0.0575 0.0583 0.0583 1.1476 1.1476 1.1625 1.1625 1.1858 1.1858 2.3166 2.3166 2.3236 2.3236 2.5792 2.5792 2.6632 2.6632 2.7346 2.7346 2.8667 2.8667 2.9161 2.9161 2.9738 2.9738 3.0114 3.0114 3.0899 3.0899 3.2387 3.2387 3.4643 3.4643 3.6789 3.6789 3.8051 3.8051 3.8562 3.8562 7.2800 7.2800 7.8304 7.8304 7.8307 7.8307 8.9989 8.9989 9.0069 9.0069 k = 0.3333 0.5774-0.0000 ( 13389 PWs) bands (ev): -15.2540 -15.2540 -8.1461 -8.1461 -8.1431 -8.1431 -4.0720 -4.0720 -2.6812 -2.6812 -2.6802 -2.6802 0.0432 0.0432 0.0575 0.0575 0.0583 0.0583 1.1476 1.1476 1.1625 1.1625 1.1858 1.1858 2.3166 2.3166 2.3236 2.3236 2.5792 2.5792 2.6632 2.6632 2.7346 2.7346 2.8667 2.8667 2.9161 2.9161 2.9738 2.9738 3.0114 3.0114 3.0899 3.0899 3.2387 3.2387 3.4643 3.4643 3.6789 3.6789 3.8051 3.8051 3.8562 3.8562 7.2800 7.2800 7.8304 7.8304 7.8307 7.8307 8.9989 8.9989 9.0069 9.0069 k = 0.3248 0.5625-0.0000 ( 13427 PWs) bands (ev): -15.2540 -15.2540 -8.1575 -8.1575 -8.1318 -8.1318 -4.0721 -4.0721 -2.6830 -2.6830 -2.6785 -2.6785 0.0399 0.0399 0.0566 0.0566 0.0637 0.0637 1.1443 1.1443 1.1609 1.1609 1.1906 1.1906 2.3021 2.3021 2.3372 2.3372 2.5800 2.5800 2.6627 2.6627 2.7349 2.7349 2.8661 2.8661 2.9146 2.9146 2.9743 2.9743 3.0100 3.0100 3.0902 3.0902 3.2397 3.2397 3.4657 3.4657 3.6774 3.6774 3.8064 3.8064 3.8570 3.8570 7.2765 7.2765 7.7983 7.7983 7.8630 7.8630 8.9810 8.9810 9.0323 9.0323 k = 0.3162 0.5477-0.0000 ( 13431 PWs) bands (ev): -15.2540 -15.2540 -8.1703 -8.1703 -8.1187 -8.1187 -4.0721 -4.0721 -2.6853 -2.6853 -2.6763 -2.6763 0.0321 0.0321 0.0595 0.0595 0.0716 0.0716 1.1377 1.1377 1.1555 1.1555 1.2024 1.2024 2.2840 2.2840 2.3520 2.3520 2.5825 2.5825 2.6612 2.6612 2.7357 2.7357 2.8637 2.8637 2.9106 2.9106 2.9760 2.9760 3.0056 3.0056 3.0922 3.0922 3.2426 3.2426 3.4696 3.4696 3.6730 3.6730 3.8100 3.8100 3.8593 3.8593 7.2677 7.2677 7.7644 7.7644 7.8956 7.8956 8.9684 8.9684 9.0669 9.0669 k = 0.3077 0.5329-0.0000 ( 13419 PWs) bands (ev): -15.2541 -15.2541 -8.1834 -8.1834 -8.1054 -8.1054 -4.0721 -4.0721 -2.6876 -2.6876 -2.6742 -2.6742 0.0229 0.0229 0.0644 0.0644 0.0809 0.0809 1.1302 1.1302 1.1486 1.1486 1.2172 1.2172 2.2652 2.2652 2.3648 2.3648 2.5869 2.5869 2.6589 2.6589 2.7369 2.7369 2.8583 2.8583 2.9056 2.9056 2.9770 2.9770 3.0001 3.0001 3.0965 3.0965 3.2473 3.2473 3.4753 3.4753 3.6662 3.6662 3.8151 3.8151 3.8631 3.8631 7.2558 7.2558 7.7288 7.7288 7.9260 7.9260 8.9643 8.9643 9.1064 9.1064 k = 0.2991 0.5181-0.0000 ( 13417 PWs) bands (ev): -15.2542 -15.2542 -8.1965 -8.1965 -8.0919 -8.0919 -4.0721 -4.0721 -2.6899 -2.6899 -2.6721 -2.6721 0.0131 0.0131 0.0705 0.0705 0.0912 0.0912 1.1223 1.1223 1.1411 1.1411 1.2335 1.2335 2.2458 2.2458 2.3751 2.3751 2.5926 2.5926 2.6565 2.6565 2.7378 2.7378 2.8488 2.8488 2.9017 2.9017 2.9732 2.9732 2.9990 2.9990 3.1026 3.1026 3.2533 3.2533 3.4821 3.4821 3.6575 3.6575 3.8213 3.8213 3.8687 3.8687 7.2424 7.2424 7.6915 7.6915 7.9527 7.9527 8.9681 8.9681 9.1495 9.1495 k = 0.2906 0.5033-0.0000 ( 13405 PWs) bands (ev): -15.2543 -15.2543 -8.2098 -8.2098 -8.0781 -8.0781 -4.0721 -4.0721 -2.6922 -2.6922 -2.6699 -2.6699 0.0027 0.0027 0.0775 0.0775 0.1022 0.1022 1.1148 1.1148 1.1338 1.1338 1.2510 1.2510 2.2260 2.2260 2.3826 2.3826 2.5983 2.5983 2.6551 2.6551 2.7378 2.7378 2.8358 2.8358 2.8999 2.8999 2.9646 2.9646 3.0034 3.0034 3.1098 3.1098 3.2600 3.2600 3.4889 3.4889 3.6475 3.6475 3.8280 3.8280 3.8763 3.8763 7.2286 7.2286 7.6529 7.6529 7.9749 7.9749 8.9790 8.9790 9.1949 9.1949 k = 0.2821 0.4885-0.0000 ( 13407 PWs) bands (ev): -15.2544 -15.2544 -8.2230 -8.2230 -8.0643 -8.0643 -4.0720 -4.0720 -2.6943 -2.6943 -2.6677 -2.6677 -0.0080 -0.0080 0.0849 0.0849 0.1136 0.1136 1.1079 1.1079 1.1269 1.1269 1.2693 1.2693 2.2056 2.2056 2.3874 2.3874 2.6016 2.6016 2.6563 2.6563 2.7358 2.7358 2.8221 2.8221 2.8996 2.8996 2.9550 2.9550 3.0105 3.0105 3.1175 3.1175 3.2671 3.2671 3.4952 3.4952 3.6364 3.6364 3.8348 3.8348 3.8863 3.8863 7.2151 7.2151 7.6131 7.6131 7.9921 7.9921 8.9959 8.9959 9.2414 9.2414 k = 0.2735 0.4737-0.0000 ( 13409 PWs) bands (ev): -15.2546 -15.2546 -8.2362 -8.2362 -8.0504 -8.0504 -4.0718 -4.0718 -2.6962 -2.6962 -2.6655 -2.6655 -0.0191 -0.0191 0.0926 0.0926 0.1251 0.1251 1.1021 1.1021 1.1208 1.1208 1.2884 1.2884 2.1849 2.1849 2.3898 2.3898 2.6004 2.6004 2.6602 2.6602 2.7315 2.7315 2.8112 2.8112 2.9000 2.9000 2.9462 2.9462 3.0189 3.0189 3.1253 3.1253 3.2741 3.2741 3.5001 3.5001 3.6248 3.6248 3.8415 3.8415 3.8992 3.8992 7.2026 7.2026 7.5726 7.5726 8.0042 8.0042 9.0174 9.0174 9.2880 9.2880 k = 0.2650 0.4589-0.0000 ( 13413 PWs) bands (ev): -15.2549 -15.2549 -8.2494 -8.2494 -8.0364 -8.0364 -4.0716 -4.0716 -2.6979 -2.6979 -2.6633 -2.6633 -0.0304 -0.0304 0.1000 0.1000 0.1365 0.1365 1.0976 1.0976 1.1162 1.1162 1.3084 1.3084 2.1637 2.1637 2.3902 2.3902 2.5946 2.5946 2.6623 2.6623 2.7278 2.7278 2.8051 2.8051 2.9002 2.9002 2.9394 2.9394 3.0281 3.0281 3.1329 3.1329 3.2807 3.2807 3.5030 3.5030 3.6129 3.6129 3.8480 3.8480 3.9151 3.9151 7.1915 7.1915 7.5316 7.5316 8.0111 8.0111 9.0417 9.0417 9.3337 9.3337 k = 0.2564 0.4441-0.0000 ( 13415 PWs) bands (ev): -15.2551 -15.2551 -8.2624 -8.2624 -8.0225 -8.0225 -4.0713 -4.0713 -2.6993 -2.6993 -2.6610 -2.6610 -0.0421 -0.0421 0.1068 0.1068 0.1473 0.1473 1.0948 1.0948 1.1132 1.1132 1.3290 1.3290 2.1423 2.1423 2.3890 2.3890 2.5852 2.5852 2.6562 2.6562 2.7304 2.7304 2.8038 2.8038 2.8994 2.8994 2.9353 2.9353 3.0379 3.0379 3.1401 3.1401 3.2865 3.2865 3.5035 3.5035 3.6011 3.6011 3.8546 3.8546 3.9339 3.9339 7.1822 7.1822 7.4904 7.4904 8.0128 8.0128 9.0668 9.0668 9.3779 9.3779 k = 0.2479 0.4293-0.0000 ( 13417 PWs) bands (ev): -15.2554 -15.2554 -8.2753 -8.2753 -8.0086 -8.0086 -4.0708 -4.0708 -2.7003 -2.7003 -2.6586 -2.6586 -0.0540 -0.0540 0.1125 0.1125 0.1573 0.1573 1.0942 1.0942 1.1125 1.1125 1.3503 1.3503 2.1205 2.1205 2.3864 2.3864 2.5729 2.5729 2.6418 2.6418 2.7394 2.7394 2.8060 2.8060 2.8973 2.8973 2.9345 2.9345 3.0483 3.0483 3.1470 3.1470 3.2914 3.2914 3.5014 3.5014 3.5896 3.5896 3.8617 3.8617 3.9554 3.9554 7.1749 7.1749 7.4495 7.4495 8.0094 8.0094 9.0903 9.0903 9.4200 9.4200 k = 0.2393 0.4145-0.0000 ( 13403 PWs) bands (ev): -15.2557 -15.2557 -8.2881 -8.2881 -7.9948 -7.9948 -4.0702 -4.0702 -2.7010 -2.7010 -2.6562 -2.6562 -0.0662 -0.0662 0.1169 0.1169 0.1660 0.1660 1.0962 1.0962 1.1144 1.1144 1.3723 1.3723 2.0986 2.0986 2.3829 2.3829 2.5578 2.5578 2.6240 2.6240 2.7504 2.7504 2.8109 2.8109 2.8944 2.8944 2.9367 2.9367 3.0592 3.0592 3.1535 3.1535 3.2951 3.2951 3.4967 3.4967 3.5786 3.5786 3.8695 3.8695 3.9794 3.9794 7.1700 7.1700 7.4090 7.4090 8.0010 8.0010 9.1092 9.1092 9.4595 9.4595 k = 0.2308 0.3997-0.0000 ( 13397 PWs) bands (ev): -15.2561 -15.2561 -8.3006 -8.3006 -7.9812 -7.9812 -4.0694 -4.0694 -2.7011 -2.7011 -2.6537 -2.6537 -0.0787 -0.0787 0.1196 0.1196 0.1731 0.1731 1.1012 1.1012 1.1193 1.1193 1.3950 1.3950 2.0765 2.0765 2.3786 2.3786 2.5399 2.5399 2.6060 2.6060 2.7600 2.7600 2.8175 2.8175 2.8921 2.8921 2.9414 2.9414 3.0705 3.0705 3.1595 3.1595 3.2973 3.2973 3.4895 3.4895 3.5682 3.5682 3.8783 3.8783 4.0055 4.0055 7.1675 7.1675 7.3691 7.3691 7.9877 7.9877 9.1208 9.1208 9.4959 9.4959 k = 0.2222 0.3849-0.0000 ( 13379 PWs) bands (ev): -15.2564 -15.2564 -8.3129 -8.3129 -7.9677 -7.9677 -4.0685 -4.0685 -2.7008 -2.7008 -2.6512 -2.6512 -0.0915 -0.0915 0.1202 0.1202 0.1781 0.1781 1.1096 1.1096 1.1274 1.1274 1.4183 1.4183 2.0543 2.0543 2.3736 2.3736 2.5197 2.5197 2.5891 2.5891 2.7669 2.7669 2.8240 2.8240 2.8916 2.8916 2.9482 2.9482 3.0821 3.0821 3.1650 3.1650 3.2981 3.2981 3.4803 3.4803 3.5583 3.5583 3.8884 3.8884 4.0333 4.0333 7.1678 7.1678 7.3300 7.3300 7.9697 7.9697 9.1220 9.1220 9.5282 9.5282 k = 0.2137 0.3701-0.0000 ( 13413 PWs) bands (ev): -15.2568 -15.2568 -8.3250 -8.3250 -7.9545 -7.9545 -4.0674 -4.0674 -2.6999 -2.6999 -2.6485 -2.6485 -0.1045 -0.1045 0.1187 0.1187 0.1808 0.1808 1.1217 1.1217 1.1389 1.1389 1.4422 1.4422 2.0320 2.0320 2.3682 2.3682 2.4979 2.4979 2.5735 2.5735 2.7712 2.7712 2.8285 2.8285 2.8936 2.8936 2.9571 2.9571 3.0938 3.0938 3.1700 3.1700 3.2972 3.2972 3.4693 3.4693 3.5491 3.5491 3.9001 3.9001 4.0626 4.0626 7.1711 7.1711 7.2918 7.2918 7.9473 7.9473 9.1108 9.1108 9.5556 9.5556 k = 0.2051 0.3553-0.0000 ( 13423 PWs) bands (ev): -15.2573 -15.2573 -8.3367 -8.3367 -7.9415 -7.9415 -4.0662 -4.0662 -2.6984 -2.6984 -2.6457 -2.6457 -0.1178 -0.1178 0.1150 0.1150 0.1810 0.1810 1.1377 1.1377 1.1540 1.1540 1.4667 1.4667 2.0099 2.0099 2.3624 2.3624 2.4753 2.4753 2.5589 2.5589 2.7735 2.7735 2.8302 2.8302 2.8979 2.8979 2.9679 2.9679 3.1054 3.1054 3.1745 3.1745 3.2948 3.2948 3.4570 3.4570 3.5408 3.5408 3.9136 3.9136 4.0929 4.0929 7.1773 7.1773 7.2546 7.2546 7.9207 7.9207 9.0860 9.0860 9.5771 9.5771 k = 0.1966 0.3405-0.0000 ( 13431 PWs) bands (ev): -15.2577 -15.2577 -8.3482 -8.3482 -7.9289 -7.9289 -4.0647 -4.0647 -2.6964 -2.6964 -2.6428 -2.6428 -0.1313 -0.1313 0.1091 0.1091 0.1785 0.1785 1.1576 1.1576 1.1726 1.1726 1.4918 1.4918 1.9879 1.9879 2.3562 2.3562 2.4527 2.4527 2.5450 2.5450 2.7740 2.7740 2.8294 2.8294 2.9031 2.9031 2.9803 2.9803 3.1167 3.1167 3.1785 3.1785 3.2909 3.2909 3.4436 3.4436 3.5335 3.5335 3.9291 3.9291 4.1238 4.1238 7.1864 7.1864 7.2188 7.2188 7.8901 7.8901 9.0483 9.0483 9.5915 9.5915 k = 0.1880 0.3257-0.0000 ( 13429 PWs) bands (ev): -15.2582 -15.2582 -8.3593 -8.3593 -7.9166 -7.9166 -4.0631 -4.0631 -2.6937 -2.6937 -2.6399 -2.6399 -0.1452 -0.1452 0.1011 0.1011 0.1734 0.1734 1.1814 1.1814 1.1950 1.1950 1.5174 1.5174 1.9662 1.9662 2.3497 2.3497 2.4306 2.4306 2.5315 2.5315 2.7732 2.7732 2.8271 2.8271 2.9084 2.9084 2.9937 2.9937 3.1273 3.1273 3.1817 3.1817 3.2856 3.2856 3.4293 3.4293 3.5276 3.5276 3.9467 3.9467 4.1551 4.1551 7.1811 7.1811 7.2018 7.2018 7.8558 7.8558 8.9991 8.9991 9.5982 9.5982 k = 0.1795 0.3109-0.0000 ( 13429 PWs) bands (ev): -15.2587 -15.2587 -8.3700 -8.3700 -7.9046 -7.9046 -4.0613 -4.0613 -2.6905 -2.6905 -2.6368 -2.6368 -0.1594 -0.1594 0.0911 0.0911 0.1657 0.1657 1.2087 1.2087 1.2209 1.2209 1.5436 1.5436 1.9448 1.9448 2.3429 2.3429 2.4092 2.4092 2.5183 2.5183 2.7712 2.7712 2.8239 2.8239 2.9132 2.9132 3.0072 3.0072 3.1368 3.1368 3.1840 3.1840 3.2795 3.2795 3.4143 3.4143 3.5234 3.5234 3.9665 3.9665 4.1863 4.1863 7.1476 7.1476 7.2173 7.2173 7.8183 7.8183 8.9410 8.9410 9.5967 9.5967 k = 0.1709 0.2961-0.0000 ( 13411 PWs) bands (ev): -15.2592 -15.2592 -8.3804 -8.3804 -7.8931 -7.8931 -4.0593 -4.0593 -2.6866 -2.6866 -2.6336 -2.6336 -0.1738 -0.1738 0.0796 0.0796 0.1556 0.1556 1.2389 1.2389 1.2507 1.2507 1.5702 1.5702 1.9239 1.9239 2.3357 2.3357 2.3888 2.3888 2.5054 2.5054 2.7684 2.7684 2.8200 2.8200 2.9174 2.9174 3.0202 3.0202 3.1449 3.1449 3.1850 3.1850 3.2728 3.2728 3.3987 3.3987 3.5212 3.5212 3.9887 3.9887 4.2172 4.2172 7.1141 7.1141 7.2373 7.2373 7.7780 7.7780 8.8765 8.8765 9.5872 9.5872 k = 0.1624 0.2813-0.0000 ( 13423 PWs) bands (ev): -15.2597 -15.2597 -8.3904 -8.3904 -7.8819 -7.8819 -4.0571 -4.0571 -2.6823 -2.6823 -2.6303 -2.6303 -0.1887 -0.1887 0.0668 0.0668 0.1434 0.1434 1.2713 1.2713 1.2842 1.2842 1.5974 1.5974 1.9036 1.9036 2.3281 2.3281 2.3697 2.3697 2.4927 2.4927 2.7647 2.7647 2.8158 2.8158 2.9209 2.9209 3.0320 3.0320 3.1513 3.1513 3.1844 3.1844 3.2662 3.2662 3.3827 3.3827 3.5211 3.5211 4.0133 4.0133 4.2475 4.2475 7.0813 7.0813 7.2610 7.2610 7.7351 7.7351 8.8080 8.8080 9.5705 9.5705 k = 0.1538 0.2665-0.0000 ( 13427 PWs) bands (ev): -15.2602 -15.2602 -8.4000 -8.4000 -7.8713 -7.8713 -4.0548 -4.0548 -2.6773 -2.6773 -2.6269 -2.6269 -0.2039 -0.2039 0.0530 0.0530 0.1293 0.1293 1.3055 1.3055 1.3214 1.3214 1.6250 1.6250 1.8840 1.8840 2.3199 2.3199 2.3521 2.3521 2.4801 2.4801 2.7604 2.7604 2.8112 2.8112 2.9239 2.9239 3.0423 3.0423 3.1558 3.1558 3.1818 3.1818 3.2600 3.2600 3.3667 3.3667 3.5233 3.5233 4.0402 4.0402 4.2771 4.2771 7.0489 7.0489 7.2883 7.2883 7.6904 7.6904 8.7376 8.7376 9.5477 9.5477 k = 0.1453 0.2517-0.0000 ( 13427 PWs) bands (ev): -15.2607 -15.2607 -8.4091 -8.4091 -7.8611 -7.8611 -4.0524 -4.0524 -2.6719 -2.6719 -2.6235 -2.6235 -0.2194 -0.2194 0.0387 0.0387 0.1137 0.1137 1.3411 1.3411 1.3616 1.3616 1.6531 1.6531 1.8653 1.8653 2.3107 2.3107 2.3363 2.3363 2.4677 2.4677 2.7555 2.7555 2.8061 2.8061 2.9264 2.9264 3.0507 3.0507 3.1577 3.1577 3.1775 3.1775 3.2545 3.2545 3.3509 3.3509 3.5275 3.5275 4.0693 4.0693 4.3055 4.3055 7.0171 7.0171 7.3192 7.3192 7.6442 7.6442 8.6669 8.6669 9.5201 9.5201 k = 0.1368 0.2369-0.0000 ( 13419 PWs) bands (ev): -15.2612 -15.2612 -8.4178 -8.4178 -7.8514 -7.8514 -4.0499 -4.0499 -2.6661 -2.6661 -2.6200 -2.6200 -0.2352 -0.2352 0.0241 0.0241 0.0968 0.0968 1.3780 1.3780 1.4041 1.4041 1.6815 1.6815 1.8478 1.8478 2.3002 2.3002 2.3227 2.3227 2.4555 2.4555 2.7502 2.7502 2.8006 2.8006 2.9284 2.9284 3.0570 3.0570 3.1561 3.1561 3.1727 3.1727 3.2498 3.2498 3.3359 3.3359 3.5336 3.5336 4.1006 4.1006 4.3328 4.3328 6.9855 6.9855 7.3532 7.3532 7.5975 7.5975 8.5974 8.5974 9.4893 9.4893 k = 0.1282 0.2221-0.0000 ( 13425 PWs) bands (ev): -15.2617 -15.2617 -8.4260 -8.4260 -7.8422 -7.8422 -4.0472 -4.0472 -2.6600 -2.6600 -2.6164 -2.6164 -0.2512 -0.2512 0.0095 0.0095 0.0791 0.0791 1.4158 1.4158 1.4483 1.4483 1.7103 1.7103 1.8316 1.8316 2.2884 2.2884 2.3112 2.3112 2.4435 2.4435 2.7445 2.7445 2.7945 2.7945 2.9300 2.9300 3.0608 3.0608 3.1502 3.1502 3.1684 3.1684 3.2458 3.2458 3.3222 3.3222 3.5411 3.5411 4.1337 4.1337 4.3587 4.3587 6.9541 6.9541 7.3893 7.3893 7.5516 7.5516 8.5302 8.5302 9.4564 9.4564 k = 0.1197 0.2073-0.0000 ( 13433 PWs) bands (ev): -15.2622 -15.2622 -8.4338 -8.4338 -7.8336 -7.8336 -4.0446 -4.0446 -2.6535 -2.6535 -2.6128 -2.6128 -0.2674 -0.2674 -0.0048 -0.0048 0.0609 0.0609 1.4542 1.4542 1.4935 1.4935 1.7394 1.7394 1.8173 1.8173 2.2760 2.2760 2.3011 2.3011 2.4317 2.4317 2.7385 2.7385 2.7880 2.7880 2.9312 2.9312 3.0620 3.0620 3.1412 3.1412 3.1636 3.1636 3.2426 3.2426 3.3100 3.3100 3.5497 3.5497 4.1685 4.1685 4.3831 4.3831 6.9229 6.9229 7.4226 7.4226 7.5119 7.5119 8.4661 8.4661 9.4226 9.4226 k = 0.1111 0.1925-0.0000 ( 13431 PWs) bands (ev): -15.2627 -15.2627 -8.4411 -8.4411 -7.8255 -7.8255 -4.0419 -4.0419 -2.6469 -2.6469 -2.6092 -2.6092 -0.2837 -0.2837 -0.0185 -0.0185 0.0424 0.0424 1.4927 1.4927 1.5386 1.5386 1.7681 1.7681 1.8059 1.8059 2.2637 2.2637 2.2916 2.2916 2.4201 2.4201 2.7322 2.7322 2.7808 2.7808 2.9319 2.9319 3.0604 3.0604 3.1310 3.1310 3.1571 3.1571 3.2406 3.2406 3.2998 3.2998 3.5589 3.5589 4.2045 4.2045 4.4059 4.4059 6.8917 6.8917 7.4257 7.4257 7.5062 7.5062 8.4058 8.4058 9.3890 9.3890 k = 0.1026 0.1776-0.0000 ( 13439 PWs) bands (ev): -15.2632 -15.2632 -8.4478 -8.4478 -7.8180 -7.8180 -4.0392 -4.0392 -2.6402 -2.6402 -2.6057 -2.6057 -0.3000 -0.3000 -0.0315 -0.0315 0.0240 0.0240 1.5307 1.5307 1.5823 1.5823 1.7894 1.7894 1.8058 1.8058 2.2519 2.2519 2.2823 2.2823 2.4087 2.4087 2.7257 2.7257 2.7731 2.7731 2.9321 2.9321 3.0560 3.0560 3.1206 3.1206 3.1483 3.1483 3.2398 3.2398 3.2915 3.2915 3.5683 3.5683 4.2414 4.2414 4.4270 4.4270 6.8606 6.8606 7.3902 7.3902 7.5428 7.5428 8.3499 8.3499 9.3561 9.3561 k = 0.0940 0.1628-0.0000 ( 13439 PWs) bands (ev): -15.2636 -15.2636 -8.4541 -8.4541 -7.8110 -7.8110 -4.0366 -4.0366 -2.6336 -2.6336 -2.6021 -2.6021 -0.3159 -0.3159 -0.0437 -0.0437 0.0060 0.0060 1.5676 1.5676 1.6223 1.6223 1.7905 1.7905 1.8316 1.8316 2.2407 2.2407 2.2729 2.2729 2.3975 2.3975 2.7189 2.7189 2.7648 2.7648 2.9318 2.9318 3.0488 3.0488 3.1106 3.1106 3.1376 3.1376 3.2403 3.2403 3.2849 3.2849 3.5777 3.5777 4.2787 4.2787 4.4464 4.4464 6.8297 6.8297 7.3476 7.3476 7.5906 7.5906 8.2986 8.2986 9.3246 9.3246 k = 0.0855 0.1480-0.0000 ( 13435 PWs) bands (ev): -15.2641 -15.2641 -8.4599 -8.4599 -7.8047 -7.8047 -4.0341 -4.0341 -2.6271 -2.6271 -2.5986 -2.5986 -0.3315 -0.3315 -0.0548 -0.0548 -0.0114 -0.0114 1.6023 1.6023 1.6551 1.6551 1.7971 1.7971 1.8614 1.8614 2.2303 2.2303 2.2633 2.2633 2.3865 2.3865 2.7119 2.7119 2.7560 2.7560 2.9308 2.9308 3.0395 3.0395 3.1010 3.1010 3.1259 3.1259 3.2418 3.2418 3.2798 3.2798 3.5868 3.5868 4.3158 4.3158 4.4641 4.4641 6.7992 6.7992 7.3050 7.3050 7.6423 7.6423 8.2523 8.2523 9.2950 9.2950 k = 0.0769 0.1332-0.0000 ( 13439 PWs) bands (ev): -15.2645 -15.2645 -8.4651 -8.4651 -7.7989 -7.7989 -4.0316 -4.0316 -2.6209 -2.6209 -2.5952 -2.5952 -0.3464 -0.3464 -0.0650 -0.0650 -0.0280 -0.0280 1.6330 1.6330 1.6782 1.6782 1.8160 1.8160 1.8917 1.8917 2.2206 2.2206 2.2532 2.2532 2.3755 2.3755 2.7048 2.7048 2.7468 2.7468 2.9291 2.9291 3.0289 3.0289 3.0911 3.0911 3.1146 3.1146 3.2440 3.2440 3.2758 3.2758 3.5954 3.5954 4.3523 4.3523 4.4800 4.4800 6.7693 6.7693 7.2642 7.2642 7.6961 7.6961 8.2109 8.2109 9.2674 9.2674 k = 0.0684 0.1184-0.0000 ( 13437 PWs) bands (ev): -15.2648 -15.2648 -8.4698 -8.4698 -7.7937 -7.7937 -4.0294 -4.0294 -2.6152 -2.6152 -2.5918 -2.5918 -0.3605 -0.3605 -0.0740 -0.0740 -0.0434 -0.0434 1.6549 1.6549 1.6967 1.6967 1.8464 1.8464 1.9220 1.9220 2.2117 2.2117 2.2427 2.2427 2.3646 2.3646 2.6977 2.6977 2.7372 2.7372 2.9266 2.9266 3.0178 3.0178 3.0803 3.0803 3.1049 3.1049 3.2465 3.2465 3.2729 3.2729 3.6033 3.6033 4.3874 4.3874 4.4941 4.4941 6.7404 6.7404 7.2261 7.2261 7.7509 7.7509 8.1746 8.1746 9.2422 9.2422 k = 0.0598 0.1036-0.0000 ( 13437 PWs) bands (ev): -15.2651 -15.2651 -8.4740 -8.4740 -7.7891 -7.7891 -4.0273 -4.0273 -2.6100 -2.6100 -2.5886 -2.5886 -0.3735 -0.3735 -0.0820 -0.0820 -0.0576 -0.0576 1.6640 1.6640 1.7187 1.7187 1.8832 1.8832 1.9522 1.9522 2.2033 2.2033 2.2317 2.2317 2.3538 2.3538 2.6906 2.6906 2.7274 2.7274 2.9232 2.9232 3.0071 3.0071 3.0685 3.0685 3.0974 3.0974 3.2490 3.2490 3.2707 3.2707 3.6105 3.6105 4.4206 4.4206 4.5065 4.5065 6.7130 6.7130 7.1912 7.1912 7.8054 7.8054 8.1432 8.1432 9.2194 9.2194 k = 0.0513 0.0888-0.0000 ( 13445 PWs) bands (ev): -15.2654 -15.2654 -8.4776 -8.4776 -7.7851 -7.7851 -4.0254 -4.0254 -2.6054 -2.6054 -2.5855 -2.5855 -0.3852 -0.3852 -0.0890 -0.0890 -0.0702 -0.0702 1.6651 1.6651 1.7428 1.7428 1.9222 1.9222 1.9818 1.9818 2.1953 2.1953 2.2200 2.2200 2.3429 2.3429 2.6837 2.6837 2.7176 2.7176 2.9189 2.9189 2.9975 2.9975 3.0565 3.0565 3.0917 3.0917 3.2514 3.2514 3.2691 3.2691 3.6168 3.6168 4.4512 4.4512 4.5171 4.5171 6.6876 6.6876 7.1601 7.1601 7.8583 7.8583 8.1166 8.1166 9.1992 9.1992 k = 0.0427 0.0740-0.0000 ( 13453 PWs) bands (ev): -15.2657 -15.2657 -8.4806 -8.4806 -7.7818 -7.7818 -4.0238 -4.0238 -2.6016 -2.6016 -2.5826 -2.5826 -0.3955 -0.3955 -0.0948 -0.0948 -0.0812 -0.0812 1.6632 1.6632 1.7655 1.7655 1.9607 1.9607 2.0108 2.0108 2.1876 2.1876 2.2077 2.2077 2.3322 2.3322 2.6772 2.6772 2.7083 2.7083 2.9139 2.9139 2.9893 2.9893 3.0454 3.0454 3.0872 3.0872 3.2535 3.2535 3.2680 3.2680 3.6222 3.6222 4.4785 4.4785 4.5261 4.5261 6.6647 6.6647 7.1330 7.1330 7.9081 7.9081 8.0946 8.0946 9.1815 9.1815 k = 0.0342 0.0592-0.0000 ( 13461 PWs) bands (ev): -15.2659 -15.2659 -8.4832 -8.4832 -7.7790 -7.7790 -4.0224 -4.0224 -2.5984 -2.5984 -2.5800 -2.5800 -0.4042 -0.4042 -0.0996 -0.0996 -0.0903 -0.0903 1.6604 1.6604 1.7853 1.7853 1.9967 1.9967 2.0389 2.0389 2.1797 2.1797 2.1948 2.1948 2.3216 2.3216 2.6714 2.6714 2.6996 2.6996 2.9088 2.9088 2.9827 2.9827 3.0357 3.0357 3.0838 3.0838 3.2551 3.2551 3.2675 3.2675 3.6267 3.6267 4.5019 4.5019 4.5334 4.5334 6.6450 6.6450 7.1104 7.1104 7.9530 7.9530 8.0771 8.0771 9.1664 9.1664 k = 0.0256 0.0444-0.0000 ( 13465 PWs) bands (ev): -15.2660 -15.2660 -8.4851 -8.4851 -7.7768 -7.7768 -4.0213 -4.0213 -2.5960 -2.5960 -2.5779 -2.5779 -0.4111 -0.4111 -0.1034 -0.1034 -0.0974 -0.0974 1.6578 1.6578 1.8013 1.8013 2.0290 2.0290 2.0660 2.0660 2.1711 2.1711 2.1814 2.1814 2.3119 2.3119 2.6663 2.6663 2.6923 2.6923 2.9040 2.9040 2.9776 2.9776 3.0280 3.0280 3.0812 3.0812 3.2563 3.2563 3.2673 3.2673 3.6302 3.6302 4.5208 4.5208 4.5390 4.5390 6.6289 6.6289 7.0925 7.0925 7.9907 7.9907 8.0641 8.0641 9.1537 9.1537 k = 0.0171 0.0296-0.0000 ( 13471 PWs) bands (ev): -15.2662 -15.2662 -8.4865 -8.4865 -7.7753 -7.7753 -4.0205 -4.0205 -2.5943 -2.5943 -2.5762 -2.5762 -0.4161 -0.4161 -0.1063 -0.1063 -0.1024 -0.1024 1.6557 1.6557 1.8132 1.8132 2.0561 2.0561 2.0914 2.0914 2.1613 2.1613 2.1675 2.1675 2.3036 2.3036 2.6624 2.6624 2.6866 2.6866 2.9001 2.9001 2.9740 2.9740 3.0224 3.0224 3.0794 3.0794 3.2570 3.2570 3.2673 3.2673 3.6327 3.6327 4.5346 4.5346 4.5431 4.5431 6.6171 6.6171 7.0796 7.0796 8.0187 8.0187 8.0559 8.0559 9.1432 9.1432 k = 0.0085 0.0148-0.0000 ( 13481 PWs) bands (ev): -15.2662 -15.2662 -8.4874 -8.4874 -7.7744 -7.7744 -4.0200 -4.0200 -2.5934 -2.5934 -2.5752 -2.5752 -0.4191 -0.4191 -0.1083 -0.1083 -0.1052 -0.1052 1.6544 1.6544 1.8205 1.8205 2.0760 2.0760 2.1145 2.1145 2.1515 2.1515 2.1529 2.1529 2.2979 2.2979 2.6598 2.6598 2.6831 2.6831 2.8976 2.8976 2.9718 2.9718 3.0190 3.0190 3.0784 3.0784 3.2574 3.2574 3.2674 3.2674 3.6342 3.6342 4.5428 4.5428 4.5458 4.5458 6.6098 6.6098 7.0718 7.0718 8.0335 8.0335 8.0540 8.0540 9.1354 9.1354 k = 0.0000 0.0000 0.0000 ( 13481 PWs) bands (ev): -15.2663 -15.2663 -8.4877 -8.4877 -7.7741 -7.7741 -4.0199 -4.0199 -2.5930 -2.5930 -2.5749 -2.5749 -0.4201 -0.4201 -0.1090 -0.1090 -0.1061 -0.1061 1.6539 1.6539 1.8229 1.8229 2.0840 2.0840 2.1312 2.1312 2.1393 2.1393 2.1469 2.1469 2.2959 2.2959 2.6589 2.6589 2.6819 2.6819 2.8967 2.8967 2.9711 2.9711 3.0179 3.0179 3.0780 3.0780 3.2575 3.2575 3.2674 3.2674 3.6347 3.6347 4.5450 4.5450 4.5473 4.5473 6.6074 6.6074 7.0692 7.0692 8.0366 8.0366 8.0554 8.0554 9.1324 9.1324 k = 0.0000 0.0000 0.0000 ( 13481 PWs) bands (ev): -15.2663 -15.2663 -8.4877 -8.4877 -7.7741 -7.7741 -4.0199 -4.0199 -2.5930 -2.5930 -2.5749 -2.5749 -0.4201 -0.4201 -0.1090 -0.1090 -0.1061 -0.1061 1.6539 1.6539 1.8229 1.8229 2.0840 2.0840 2.1312 2.1312 2.1393 2.1393 2.1469 2.1469 2.2959 2.2959 2.6589 2.6589 2.6819 2.6819 2.8967 2.8967 2.9711 2.9711 3.0179 3.0179 3.0780 3.0780 3.2575 3.2575 3.2674 3.2674 3.6347 3.6347 4.5450 4.5450 4.5473 4.5473 6.6074 6.6074 7.0692 7.0692 8.0366 8.0366 8.0554 8.0554 9.1324 9.1324 k = 0.0000 0.0000 0.0172 ( 13469 PWs) bands (ev): -15.2663 -15.2663 -8.4877 -8.4877 -7.7741 -7.7741 -4.0199 -4.0199 -2.5930 -2.5930 -2.5750 -2.5750 -0.4195 -0.4195 -0.1086 -0.1086 -0.1057 -0.1057 1.6531 1.6531 1.8225 1.8225 2.0827 2.0827 2.1313 2.1313 2.1371 2.1371 2.1477 2.1477 2.2962 2.2962 2.6590 2.6590 2.6820 2.6820 2.8967 2.8967 2.9712 2.9712 3.0179 3.0179 3.0780 3.0780 3.2575 3.2575 3.2674 3.2674 3.6347 3.6347 4.5458 4.5458 4.5481 4.5481 6.6073 6.6073 7.0736 7.0736 8.0322 8.0322 8.0511 8.0511 9.1352 9.1352 k = 0.0000 0.0000 0.0344 ( 13463 PWs) bands (ev): -15.2662 -15.2662 -8.4878 -8.4878 -7.7740 -7.7740 -4.0200 -4.0200 -2.5931 -2.5931 -2.5754 -2.5754 -0.4177 -0.4177 -0.1073 -0.1073 -0.1045 -0.1045 1.6504 1.6504 1.8213 1.8213 2.0790 2.0790 2.1316 2.1316 2.1320 2.1320 2.1492 2.1492 2.2970 2.2970 2.6594 2.6594 2.6823 2.6823 2.8968 2.8968 2.9715 2.9715 3.0178 3.0178 3.0780 3.0780 3.2575 3.2575 3.2674 3.2674 3.6347 3.6347 4.5481 4.5481 4.5505 4.5505 6.6073 6.6073 7.0866 7.0866 8.0194 8.0194 8.0385 8.0385 9.1436 9.1436 k = 0.0000 0.0000 0.0516 ( 13475 PWs) bands (ev): -15.2662 -15.2662 -8.4879 -8.4879 -7.7740 -7.7740 -4.0202 -4.0202 -2.5932 -2.5932 -2.5760 -2.5760 -0.4147 -0.4147 -0.1051 -0.1051 -0.1026 -0.1026 1.6458 1.6458 1.8195 1.8195 2.0730 2.0730 2.1247 2.1247 2.1320 2.1320 2.1503 2.1503 2.2984 2.2984 2.6599 2.6599 2.6828 2.6828 2.8970 2.8970 2.9719 2.9719 3.0176 3.0176 3.0781 3.0781 3.2576 3.2576 3.2674 3.2674 3.6347 3.6347 4.5519 4.5519 4.5545 4.5545 6.6075 6.6075 7.1079 7.1079 7.9989 7.9989 8.0183 8.0183 9.1572 9.1572 k = 0.0000 0.0000 0.0689 ( 13451 PWs) bands (ev): -15.2662 -15.2662 -8.4881 -8.4881 -7.7739 -7.7739 -4.0204 -4.0204 -2.5934 -2.5934 -2.5769 -2.5769 -0.4106 -0.4106 -0.1021 -0.1021 -0.0999 -0.0999 1.6394 1.6394 1.8173 1.8173 2.0648 2.0648 2.1154 2.1154 2.1325 2.1325 2.1512 2.1512 2.3003 2.3003 2.6606 2.6606 2.6835 2.6835 2.8972 2.8972 2.9725 2.9725 3.0173 3.0173 3.0781 3.0781 3.2576 3.2576 3.2674 3.2674 3.6347 3.6347 4.5571 4.5571 4.5599 4.5599 6.6082 6.6082 7.1372 7.1372 7.9716 7.9716 7.9915 7.9915 9.1755 9.1755 k = 0.0000 0.0000 0.0861 ( 13408 PWs) bands (ev): -15.2662 -15.2662 -8.4884 -8.4884 -7.7737 -7.7737 -4.0207 -4.0207 -2.5936 -2.5936 -2.5779 -2.5779 -0.4054 -0.4054 -0.0983 -0.0983 -0.0966 -0.0966 1.6309 1.6309 1.8148 1.8148 2.0547 2.0547 2.1043 2.1043 2.1329 2.1329 2.1518 2.1518 2.3027 2.3027 2.6614 2.6614 2.6843 2.6843 2.8974 2.8974 2.9732 2.9732 3.0170 3.0170 3.0781 3.0781 3.2577 3.2577 3.2674 3.2674 3.6348 3.6348 4.5636 4.5636 4.5667 4.5667 6.6097 6.6097 7.1738 7.1738 7.9387 7.9387 7.9592 7.9592 9.1983 9.1983 k = 0.0000 0.0000 0.1033 ( 13432 PWs) bands (ev): -15.2661 -15.2661 -8.4887 -8.4887 -7.7736 -7.7736 -4.0211 -4.0211 -2.5938 -2.5938 -2.5792 -2.5792 -0.3991 -0.3991 -0.0937 -0.0937 -0.0926 -0.0926 1.6203 1.6203 1.8124 1.8124 2.0428 2.0428 2.0913 2.0913 2.1333 2.1333 2.1523 2.1523 2.3054 2.3054 2.6625 2.6625 2.6853 2.6853 2.8977 2.8977 2.9741 2.9741 3.0166 3.0166 3.0781 3.0781 3.2578 3.2578 3.2673 3.2673 3.6348 3.6348 4.5714 4.5714 4.5747 4.5747 6.6124 6.6124 7.2172 7.2172 7.9015 7.9015 7.9226 7.9226 9.2251 9.2251 k = 0.0000 0.0000 0.1205 ( 13444 PWs) bands (ev): -15.2661 -15.2661 -8.4890 -8.4890 -7.7734 -7.7734 -4.0215 -4.0215 -2.5941 -2.5941 -2.5806 -2.5806 -0.3919 -0.3919 -0.0885 -0.0885 -0.0880 -0.0880 1.6077 1.6077 1.8102 1.8102 2.0294 2.0294 2.0768 2.0768 2.1337 2.1337 2.1526 2.1526 2.3085 2.3085 2.6637 2.6637 2.6865 2.6865 2.8979 2.8979 2.9750 2.9750 3.0162 3.0162 3.0782 3.0782 3.2579 3.2579 3.2673 3.2673 3.6348 3.6348 4.5802 4.5802 4.5838 4.5838 6.6163 6.6163 7.2669 7.2669 7.8612 7.8612 7.8830 7.8830 9.2555 9.2555 k = 0.0000 0.0000 0.1377 ( 13456 PWs) bands (ev): -15.2660 -15.2660 -8.4894 -8.4894 -7.7732 -7.7732 -4.0220 -4.0220 -2.5944 -2.5944 -2.5822 -2.5822 -0.3838 -0.3838 -0.0828 -0.0828 -0.0826 -0.0826 1.5932 1.5932 1.8084 1.8084 2.0147 2.0147 2.0608 2.0608 2.1340 2.1340 2.1528 2.1528 2.3118 2.3118 2.6650 2.6650 2.6877 2.6877 2.8982 2.8982 2.9760 2.9760 3.0157 3.0157 3.0782 3.0782 3.2580 3.2580 3.2673 3.2673 3.6349 3.6349 4.5898 4.5898 4.5938 4.5938 6.6216 6.6216 7.3224 7.3224 7.8189 7.8189 7.8413 7.8413 9.2894 9.2894 k = 0.0000 0.0000 0.1549 ( 13444 PWs) bands (ev): -15.2660 -15.2660 -8.4898 -8.4898 -7.7730 -7.7730 -4.0225 -4.0225 -2.5947 -2.5947 -2.5839 -2.5839 -0.3749 -0.3749 -0.0771 -0.0771 -0.0762 -0.0762 1.5769 1.5769 1.8070 1.8070 1.9989 1.9989 2.0437 2.0437 2.1342 2.1342 2.1531 2.1531 2.3154 2.3154 2.6664 2.6664 2.6891 2.6891 2.8984 2.8984 2.9770 2.9770 3.0152 3.0152 3.0782 3.0782 3.2581 3.2581 3.2672 3.2672 3.6349 3.6349 4.6002 4.6002 4.6046 4.6046 6.6283 6.6283 7.3832 7.3832 7.7754 7.7754 7.7986 7.7986 9.3265 9.3265 k = 0.0000 0.0000 0.1721 ( 13444 PWs) bands (ev): -15.2659 -15.2659 -8.4902 -8.4902 -7.7728 -7.7728 -4.0230 -4.0230 -2.5951 -2.5951 -2.5858 -2.5858 -0.3653 -0.3653 -0.0711 -0.0711 -0.0693 -0.0693 1.5592 1.5592 1.8061 1.8061 1.9822 1.9822 2.0257 2.0257 2.1345 2.1345 2.1532 2.1532 2.3191 2.3191 2.6679 2.6679 2.6906 2.6906 2.8986 2.8986 2.9780 2.9780 3.0147 3.0147 3.0782 3.0782 3.2582 3.2582 3.2672 3.2672 3.6350 3.6350 4.6112 4.6112 4.6159 4.6159 6.6364 6.6364 7.4488 7.4488 7.7316 7.7316 7.7556 7.7556 9.3668 9.3668 k = 0.0000 0.0000 0.1894 ( 13456 PWs) bands (ev): -15.2659 -15.2659 -8.4906 -8.4906 -7.7726 -7.7726 -4.0236 -4.0236 -2.5954 -2.5954 -2.5877 -2.5877 -0.3551 -0.3551 -0.0647 -0.0647 -0.0620 -0.0620 1.5402 1.5402 1.8056 1.8056 1.9650 1.9650 2.0071 2.0071 2.1347 2.1347 2.1534 2.1534 2.3228 2.3228 2.6695 2.6695 2.6921 2.6921 2.8988 2.8988 2.9791 2.9791 3.0142 3.0142 3.0783 3.0783 3.2583 3.2583 3.2672 3.2672 3.6350 3.6350 4.6225 4.6225 4.6276 4.6276 6.6458 6.6458 7.5186 7.5186 7.6883 7.6883 7.7133 7.7133 9.4101 9.4101 k = 0.0000 0.0000 0.2066 ( 13462 PWs) bands (ev): -15.2658 -15.2658 -8.4911 -8.4911 -7.7724 -7.7724 -4.0241 -4.0241 -2.5958 -2.5958 -2.5896 -2.5896 -0.3446 -0.3446 -0.0581 -0.0581 -0.0545 -0.0545 1.5204 1.5204 1.8054 1.8054 1.9475 1.9475 1.9881 1.9881 2.1349 2.1349 2.1535 2.1535 2.3266 2.3266 2.6712 2.6712 2.6936 2.6936 2.8989 2.8989 2.9801 2.9801 3.0137 3.0137 3.0783 3.0783 3.2584 3.2584 3.2671 3.2671 3.6351 3.6351 4.6340 4.6340 4.6394 4.6394 6.6562 6.6562 7.5913 7.5913 7.6459 7.6459 7.6731 7.6731 9.4563 9.4563 k = 0.0000 0.0000 0.2238 ( 13450 PWs) bands (ev): -15.2658 -15.2658 -8.4916 -8.4916 -7.7721 -7.7721 -4.0247 -4.0247 -2.5961 -2.5961 -2.5916 -2.5916 -0.3338 -0.3338 -0.0513 -0.0513 -0.0469 -0.0469 1.5001 1.5001 1.8055 1.8055 1.9299 1.9299 1.9690 1.9690 2.1350 2.1350 2.1536 2.1536 2.3303 2.3303 2.6728 2.6728 2.6951 2.6951 2.8990 2.8990 2.9810 2.9810 3.0132 3.0132 3.0783 3.0783 3.2585 3.2585 3.2671 3.2671 3.6351 3.6351 4.6455 4.6455 4.6512 4.6512 6.6676 6.6676 7.6051 7.6051 7.6259 7.6259 7.6757 7.6757 9.5051 9.5051 k = 0.0000 0.0000 0.2410 ( 13444 PWs) bands (ev): -15.2657 -15.2657 -8.4920 -8.4920 -7.7719 -7.7719 -4.0253 -4.0253 -2.5965 -2.5965 -2.5935 -2.5935 -0.3229 -0.3229 -0.0445 -0.0445 -0.0391 -0.0391 1.4797 1.4797 1.8059 1.8059 1.9126 1.9126 1.9502 1.9502 2.1352 2.1352 2.1537 2.1537 2.3340 2.3340 2.6744 2.6744 2.6967 2.6967 2.8991 2.8991 2.9820 2.9820 3.0127 3.0127 3.0784 3.0784 3.2586 3.2586 3.2671 3.2671 3.6352 3.6352 4.6568 4.6568 4.6629 4.6629 6.6796 6.6796 7.5662 7.5662 7.5907 7.5907 7.7530 7.7530 9.5563 9.5563 k = 0.0000 0.0000 0.2582 ( 13426 PWs) bands (ev): -15.2657 -15.2657 -8.4925 -8.4925 -7.7717 -7.7717 -4.0258 -4.0258 -2.5969 -2.5969 -2.5953 -2.5953 -0.3120 -0.3120 -0.0378 -0.0378 -0.0315 -0.0315 1.4595 1.4595 1.8064 1.8064 1.8958 1.8958 1.9319 1.9319 2.1353 2.1353 2.1538 2.1538 2.3375 2.3375 2.6760 2.6760 2.6981 2.6981 2.8991 2.8991 2.9828 2.9828 3.0123 3.0123 3.0784 3.0784 3.2587 3.2587 3.2670 3.2670 3.6352 3.6352 4.6677 4.6677 4.6741 4.6741 6.6920 6.6920 7.5297 7.5297 7.5552 7.5552 7.8351 7.8351 9.6093 9.6093 k = 0.0000 0.0000 0.2754 ( 13408 PWs) bands (ev): -15.2656 -15.2656 -8.4929 -8.4929 -7.7715 -7.7715 -4.0264 -4.0264 -2.5972 -2.5972 -2.5971 -2.5971 -0.3015 -0.3015 -0.0313 -0.0313 -0.0241 -0.0241 1.4399 1.4399 1.8070 1.8070 1.8797 1.8797 1.9144 1.9144 2.1354 2.1354 2.1538 2.1538 2.3409 2.3409 2.6775 2.6775 2.6996 2.6996 2.8991 2.8991 2.9836 2.9836 3.0119 3.0119 3.0784 3.0784 3.2588 3.2588 3.2670 3.2670 3.6353 3.6353 4.6782 4.6782 4.6848 4.6848 6.7045 6.7045 7.4957 7.4957 7.5220 7.5220 7.9191 7.9191 9.6618 9.6618 k = 0.0000 0.0000 0.2926 ( 13384 PWs) bands (ev): -15.2655 -15.2655 -8.4933 -8.4933 -7.7713 -7.7713 -4.0269 -4.0269 -2.5988 -2.5988 -2.5975 -2.5975 -0.2913 -0.2913 -0.0251 -0.0251 -0.0170 -0.0170 1.4213 1.4213 1.8076 1.8076 1.8646 1.8646 1.8979 1.8979 2.1355 2.1355 2.1539 2.1539 2.3440 2.3440 2.6790 2.6790 2.7009 2.7009 2.8991 2.8991 2.9843 2.9843 3.0115 3.0115 3.0784 3.0784 3.2589 3.2589 3.2670 3.2670 3.6353 3.6353 4.6879 4.6879 4.6949 4.6949 6.7168 6.7168 7.4647 7.4647 7.4915 7.4915 8.0038 8.0038 9.7002 9.7002 k = 0.0000 0.0000 0.3099 ( 13390 PWs) bands (ev): -15.2655 -15.2655 -8.4937 -8.4937 -7.7711 -7.7711 -4.0273 -4.0273 -2.6004 -2.6004 -2.5978 -2.5978 -0.2818 -0.2818 -0.0194 -0.0194 -0.0104 -0.0104 1.4040 1.4040 1.8082 1.8082 1.8508 1.8508 1.8827 1.8827 2.1356 2.1356 2.1540 2.1540 2.3469 2.3469 2.6803 2.6803 2.7022 2.7022 2.8991 2.8991 2.9850 2.9850 3.0112 3.0112 3.0785 3.0785 3.2590 3.2590 3.2669 3.2669 3.6354 3.6354 4.6969 4.6969 4.7041 4.7041 6.7286 6.7286 7.4368 7.4368 7.4641 7.4641 8.0880 8.0880 9.6943 9.6943 k = 0.0000 0.0000 0.3271 ( 13360 PWs) bands (ev): -15.2655 -15.2655 -8.4940 -8.4940 -7.7709 -7.7709 -4.0278 -4.0278 -2.6018 -2.6018 -2.5981 -2.5981 -0.2731 -0.2731 -0.0141 -0.0141 -0.0044 -0.0044 1.3882 1.3882 1.8086 1.8086 1.8386 1.8386 1.8691 1.8691 2.1357 2.1357 2.1540 2.1540 2.3494 2.3494 2.6815 2.6815 2.7033 2.7033 2.8991 2.8991 2.9856 2.9856 3.0109 3.0109 3.0785 3.0785 3.2590 3.2590 3.2669 3.2669 3.6354 3.6354 4.7050 4.7050 4.7123 4.7123 6.7395 6.7395 7.4123 7.4123 7.4399 7.4399 8.1704 8.1704 9.6661 9.6661 k = 0.0000 0.0000 0.3443 ( 13372 PWs) bands (ev): -15.2654 -15.2654 -8.4943 -8.4943 -7.7708 -7.7708 -4.0281 -4.0281 -2.6030 -2.6030 -2.5983 -2.5983 -0.2654 -0.2654 -0.0094 -0.0094 0.0009 0.0009 1.3744 1.3744 1.8086 1.8086 1.8282 1.8282 1.8571 1.8571 2.1358 2.1358 2.1541 2.1541 2.3516 2.3516 2.6826 2.6826 2.7043 2.7043 2.8990 2.8990 2.9860 2.9860 3.0106 3.0106 3.0785 3.0785 3.2591 3.2591 3.2669 3.2669 3.6355 3.6355 4.7120 4.7120 4.7195 4.7195 6.7494 6.7494 7.3912 7.3912 7.4192 7.4192 8.2489 8.2489 9.6295 9.6295 k = 0.0000 0.0000 0.3615 ( 13378 PWs) bands (ev): -15.2654 -15.2654 -8.4946 -8.4946 -7.7706 -7.7706 -4.0284 -4.0284 -2.6040 -2.6040 -2.5985 -2.5985 -0.2588 -0.2588 -0.0055 -0.0055 0.0054 0.0054 1.3627 1.3627 1.8077 1.8077 1.8205 1.8205 1.8471 1.8471 2.1358 2.1358 2.1541 2.1541 2.3535 2.3535 2.6835 2.6835 2.7051 2.7051 2.8990 2.8990 2.9864 2.9864 3.0104 3.0104 3.0785 3.0785 3.2591 3.2591 3.2669 3.2669 3.6355 3.6355 4.7178 4.7178 4.7255 4.7255 6.7579 6.7579 7.3738 7.3738 7.4021 7.4021 8.3213 8.3213 9.5893 9.5893 k = 0.0000 0.0000 0.3787 ( 13378 PWs) bands (ev): -15.2654 -15.2654 -8.4948 -8.4948 -7.7705 -7.7705 -4.0287 -4.0287 -2.6048 -2.6048 -2.5987 -2.5987 -0.2535 -0.2535 -0.0024 -0.0024 0.0090 0.0090 1.3533 1.3533 1.8051 1.8051 1.8162 1.8162 1.8391 1.8391 2.1358 2.1358 2.1541 2.1541 2.3550 2.3550 2.6842 2.6842 2.7057 2.7057 2.8989 2.8989 2.9867 2.9867 3.0103 3.0103 3.0785 3.0785 3.2592 3.2592 3.2669 3.2669 3.6355 3.6355 4.7225 4.7225 4.7302 4.7302 6.7647 6.7647 7.3602 7.3602 7.3886 7.3886 8.3842 8.3842 9.5499 9.5499 k = 0.0000 0.0000 0.3959 ( 13384 PWs) bands (ev): -15.2653 -15.2653 -8.4949 -8.4949 -7.7705 -7.7705 -4.0289 -4.0289 -2.6054 -2.6054 -2.5988 -2.5988 -0.2497 -0.2497 -0.0001 -0.0001 0.0116 0.0116 1.3465 1.3465 1.8016 1.8016 1.8147 1.8147 1.8333 1.8333 2.1359 2.1359 2.1541 2.1541 2.3561 2.3561 2.6847 2.6847 2.7062 2.7062 2.8989 2.8989 2.9870 2.9870 3.0102 3.0102 3.0785 3.0785 3.2592 3.2592 3.2669 3.2669 3.6355 3.6355 4.7258 4.7258 4.7336 4.7336 6.7698 6.7698 7.3504 7.3504 7.3790 7.3790 8.4339 8.4339 9.5163 9.5163 k = 0.0000 0.0000 0.4131 ( 13378 PWs) bands (ev): -15.2653 -15.2653 -8.4950 -8.4950 -7.7704 -7.7704 -4.0290 -4.0290 -2.6058 -2.6058 -2.5988 -2.5988 -0.2473 -0.2473 0.0013 0.0013 0.0132 0.0132 1.3423 1.3423 1.7990 1.7990 1.8143 1.8143 1.8298 1.8298 2.1359 2.1359 2.1542 2.1542 2.3567 2.3567 2.6850 2.6850 2.7065 2.7065 2.8989 2.8989 2.9871 2.9871 3.0101 3.0101 3.0785 3.0785 3.2592 3.2592 3.2669 3.2669 3.6355 3.6355 4.7279 4.7279 4.7357 4.7357 6.7729 6.7729 7.3444 7.3444 7.3731 7.3731 8.4661 8.4661 9.4934 9.4934 k = 0.0000 0.0000 0.4304 ( 13402 PWs) bands (ev): -15.2653 -15.2653 -8.4950 -8.4950 -7.7704 -7.7704 -4.0290 -4.0290 -2.6059 -2.6059 -2.5989 -2.5989 -0.2465 -0.2465 0.0018 0.0018 0.0138 0.0138 1.3409 1.3409 1.7981 1.7981 1.8142 1.8142 1.8287 1.8287 2.1359 2.1359 2.1542 2.1542 2.3569 2.3569 2.6851 2.6851 2.7066 2.7066 2.8989 2.8989 2.9871 2.9871 3.0101 3.0101 3.0785 3.0785 3.2592 3.2592 3.2669 3.2669 3.6355 3.6355 4.7285 4.7285 4.7364 4.7364 6.7739 6.7739 7.3425 7.3425 7.3712 7.3712 8.4772 8.4772 9.4853 9.4853 k = 0.0000 0.0000 0.4304 ( 13402 PWs) bands (ev): -15.2653 -15.2653 -8.4950 -8.4950 -7.7704 -7.7704 -4.0290 -4.0290 -2.6059 -2.6059 -2.5989 -2.5989 -0.2465 -0.2465 0.0018 0.0018 0.0138 0.0138 1.3409 1.3409 1.7981 1.7981 1.8142 1.8142 1.8287 1.8287 2.1359 2.1359 2.1542 2.1542 2.3569 2.3569 2.6851 2.6851 2.7066 2.7066 2.8989 2.8989 2.9871 2.9871 3.0101 3.0101 3.0785 3.0785 3.2592 3.2592 3.2669 3.2669 3.6355 3.6355 4.7285 4.7285 4.7364 4.7364 6.7739 6.7739 7.3425 7.3425 7.3712 7.3712 8.4772 8.4772 9.4853 9.4853 k = 0.0147 0.0085 0.4304 ( 13386 PWs) bands (ev): -15.2653 -15.2653 -8.4946 -8.4946 -7.7708 -7.7708 -4.0291 -4.0291 -2.6060 -2.6060 -2.5990 -2.5990 -0.2465 -0.2465 0.0015 0.0015 0.0134 0.0134 1.3414 1.3414 1.7959 1.7959 1.8139 1.8139 1.8278 1.8278 2.1373 2.1373 2.1553 2.1553 2.3577 2.3577 2.6856 2.6856 2.7073 2.7073 2.8993 2.8993 2.9873 2.9873 3.0108 3.0108 3.0787 3.0787 3.2591 3.2591 3.2668 3.2668 3.6349 3.6349 4.7258 4.7258 4.7340 4.7340 6.7779 6.7779 7.3445 7.3445 7.3734 7.3734 8.4754 8.4754 9.4804 9.4804 k = 0.0294 0.0170 0.4304 ( 13394 PWs) bands (ev): -15.2652 -15.2652 -8.4935 -8.4935 -7.7721 -7.7721 -4.0293 -4.0293 -2.6065 -2.6065 -2.5993 -2.5993 -0.2462 -0.2462 0.0005 0.0005 0.0125 0.0125 1.3426 1.3426 1.7897 1.7897 1.8116 1.8116 1.8267 1.8267 2.1414 2.1414 2.1588 2.1588 2.3602 2.3602 2.6869 2.6869 2.7095 2.7095 2.9007 2.9007 2.9877 2.9877 3.0131 3.0131 3.0793 3.0793 3.2585 3.2585 3.2665 3.2665 3.6331 3.6331 4.7165 4.7165 4.7281 4.7281 6.7899 6.7899 7.3493 7.3493 7.3811 7.3811 8.4700 8.4700 9.4660 9.4660 k = 0.0441 0.0255 0.4304 ( 13402 PWs) bands (ev): -15.2651 -15.2651 -8.4917 -8.4917 -7.7742 -7.7742 -4.0296 -4.0296 -2.6072 -2.6072 -2.5998 -2.5998 -0.2459 -0.2459 -0.0017 -0.0017 0.0117 0.0117 1.3445 1.3445 1.7800 1.7800 1.8050 1.8050 1.8276 1.8276 2.1477 2.1477 2.1643 2.1643 2.3642 2.3642 2.6891 2.6891 2.7131 2.7131 2.9030 2.9030 2.9883 2.9883 3.0171 3.0171 3.0803 3.0803 3.2575 3.2575 3.2662 3.2662 3.6301 3.6301 4.6998 4.6998 4.7200 4.7200 6.8092 6.8092 7.3547 7.3547 7.3966 7.3966 8.4613 8.4613 9.4431 9.4431 k = 0.0588 0.0340 0.4304 ( 13394 PWs) bands (ev): -15.2650 -15.2650 -8.4891 -8.4891 -7.7771 -7.7771 -4.0301 -4.0301 -2.6083 -2.6083 -2.6004 -2.6004 -0.2453 -0.2453 -0.0054 -0.0054 0.0114 0.0114 1.3470 1.3470 1.7673 1.7673 1.7947 1.7947 1.8305 1.8305 2.1555 2.1555 2.1718 2.1718 2.3696 2.3696 2.6918 2.6918 2.7180 2.7180 2.9061 2.9061 2.9892 2.9892 3.0227 3.0227 3.0818 3.0818 3.2558 3.2558 3.2661 3.2661 3.6260 3.6260 4.6763 4.6763 4.7096 4.7096 6.8350 6.8350 7.3600 7.3600 7.4208 7.4208 8.4497 8.4497 9.4127 9.4127 k = 0.0735 0.0425 0.4304 ( 13400 PWs) bands (ev): -15.2648 -15.2648 -8.4858 -8.4858 -7.7808 -7.7808 -4.0308 -4.0308 -2.6098 -2.6098 -2.6013 -2.6013 -0.2445 -0.2445 -0.0104 -0.0104 0.0117 0.0117 1.3499 1.3499 1.7519 1.7519 1.7821 1.7821 1.8347 1.8347 2.1641 2.1641 2.1813 2.1813 2.3762 2.3762 2.6950 2.6950 2.7242 2.7242 2.9099 2.9099 2.9904 2.9904 3.0302 3.0302 3.0837 3.0837 3.2536 3.2536 3.2662 3.2662 3.6206 3.6206 4.6472 4.6472 4.6969 4.6969 6.8661 6.8661 7.3660 7.3660 7.4530 7.4530 8.4358 8.4358 9.3767 9.3767 k = 0.0882 0.0509 0.4304 ( 13412 PWs) bands (ev): -15.2645 -15.2645 -8.4818 -8.4818 -7.7854 -7.7854 -4.0316 -4.0316 -2.6116 -2.6116 -2.6023 -2.6023 -0.2435 -0.2435 -0.0165 -0.0165 0.0126 0.0126 1.3529 1.3529 1.7341 1.7341 1.7679 1.7679 1.8399 1.8399 2.1728 2.1728 2.1925 2.1925 2.3839 2.3839 2.6985 2.6985 2.7313 2.7313 2.9141 2.9141 2.9920 2.9920 3.0395 3.0395 3.0862 3.0862 3.2509 3.2509 3.2666 3.2666 3.6142 3.6142 4.6132 4.6132 4.6820 4.6820 6.9009 6.9009 7.3740 7.3740 7.4924 7.4924 8.4203 8.4203 9.3366 9.3366 k = 0.1029 0.0594 0.4304 ( 13416 PWs) bands (ev): -15.2643 -15.2643 -8.4772 -8.4772 -7.7907 -7.7907 -4.0326 -4.0326 -2.6139 -2.6139 -2.6035 -2.6035 -0.2421 -0.2421 -0.0231 -0.0231 0.0138 0.0138 1.3557 1.3557 1.7145 1.7145 1.7526 1.7526 1.8460 1.8460 2.1814 2.1814 2.2053 2.2053 2.3923 2.3923 2.7021 2.7021 2.7393 2.7393 2.9185 2.9185 2.9939 2.9939 3.0504 3.0504 3.0896 3.0896 3.2477 3.2477 3.2674 3.2674 3.6067 3.6067 4.5752 4.5752 4.6652 4.6652 6.9376 6.9376 7.3851 7.3851 7.5385 7.5385 8.4039 8.4039 9.2943 9.2943 k = 0.1176 0.0679 0.4304 ( 13420 PWs) bands (ev): -15.2640 -15.2640 -8.4718 -8.4718 -7.7967 -7.7967 -4.0337 -4.0337 -2.6166 -2.6166 -2.6048 -2.6048 -0.2403 -0.2403 -0.0300 -0.0300 0.0153 0.0153 1.3582 1.3582 1.6934 1.6934 1.7365 1.7365 1.8531 1.8531 2.1897 2.1897 2.2193 2.2193 2.4012 2.4012 2.7056 2.7056 2.7478 2.7478 2.9229 2.9229 2.9962 2.9962 3.0623 3.0623 3.0943 3.0943 3.2444 3.2444 3.2685 3.2685 3.5982 3.5982 4.5341 4.5341 4.6467 4.6467 6.9743 6.9743 7.4005 7.4005 7.5906 7.5906 8.3873 8.3873 9.2512 9.2512 k = 0.1324 0.0764 0.4304 ( 13420 PWs) bands (ev): -15.2636 -15.2636 -8.4658 -8.4658 -7.8034 -7.8034 -4.0350 -4.0350 -2.6197 -2.6197 -2.6063 -2.6063 -0.2380 -0.2380 -0.0368 -0.0368 0.0171 0.0171 1.3601 1.3601 1.6712 1.6712 1.7199 1.7199 1.8610 1.8610 2.1978 2.1978 2.2343 2.2343 2.4106 2.4106 2.7090 2.7090 2.7566 2.7566 2.9270 2.9270 2.9990 2.9990 3.0737 3.0737 3.1015 3.1015 3.2411 3.2411 3.2702 3.2702 3.5889 3.5889 4.4906 4.4906 4.6268 4.6268 7.0088 7.0088 7.4215 7.4215 7.6485 7.6485 8.3715 8.3715 9.2089 9.2089 k = 0.1471 0.0849 0.4304 ( 13420 PWs) bands (ev): -15.2633 -15.2633 -8.4591 -8.4591 -7.8108 -7.8108 -4.0364 -4.0364 -2.6234 -2.6234 -2.6080 -2.6080 -0.2353 -0.2353 -0.0431 -0.0431 0.0191 0.0191 1.3612 1.3612 1.6479 1.6479 1.7029 1.7029 1.8697 1.8697 2.2058 2.2058 2.2500 2.2500 2.4203 2.4203 2.7122 2.7122 2.7655 2.7655 2.9306 2.9306 3.0021 3.0021 3.0827 3.0827 3.1124 3.1124 3.2382 3.2382 3.2724 3.2724 3.5787 3.5787 4.4455 4.4455 4.6058 4.6058 7.0392 7.0392 7.4491 7.4491 7.7115 7.7115 8.3570 8.3570 9.1685 9.1685 k = 0.1618 0.0934 0.4304 ( 13424 PWs) bands (ev): -15.2629 -15.2629 -8.4519 -8.4519 -7.8189 -7.8189 -4.0381 -4.0381 -2.6275 -2.6275 -2.6098 -2.6098 -0.2319 -0.2319 -0.0487 -0.0487 0.0213 0.0213 1.3613 1.3613 1.6238 1.6238 1.6857 1.6857 1.8791 1.8791 2.2138 2.2138 2.2661 2.2661 2.4301 2.4301 2.7150 2.7150 2.7744 2.7744 2.9336 2.9336 3.0055 3.0055 3.0889 3.0889 3.1264 3.1264 3.2361 3.2361 3.2756 3.2756 3.5678 3.5678 4.3995 4.3995 4.5840 4.5840 7.0642 7.0642 7.4837 7.4837 7.7792 7.7792 8.3445 8.3445 9.1312 9.1312 k = 0.1765 0.1019 0.4304 ( 13420 PWs) bands (ev): -15.2624 -15.2624 -8.4440 -8.4440 -7.8275 -7.8275 -4.0398 -4.0398 -2.6321 -2.6321 -2.6117 -2.6117 -0.2279 -0.2279 -0.0532 -0.0532 0.0237 0.0237 1.3602 1.3602 1.5990 1.5990 1.6685 1.6685 1.8893 1.8893 2.2219 2.2219 2.2827 2.2827 2.4402 2.4402 2.7175 2.7175 2.7830 2.7830 2.9360 2.9360 3.0089 3.0089 3.0936 3.0936 3.1410 3.1410 3.2355 3.2355 3.2799 3.2799 3.5565 3.5565 4.3533 4.3533 4.5617 4.5617 7.0836 7.0836 7.5247 7.5247 7.8512 7.8512 8.3345 8.3345 9.0983 9.0983 k = 0.1912 0.1104 0.4304 ( 13414 PWs) bands (ev): -15.2620 -15.2620 -8.4356 -8.4356 -7.8367 -7.8367 -4.0418 -4.0418 -2.6372 -2.6372 -2.6137 -2.6137 -0.2234 -0.2234 -0.0564 -0.0564 0.0262 0.0262 1.3579 1.3579 1.5736 1.5736 1.6514 1.6514 1.9001 1.9001 2.2303 2.2303 2.2996 2.2996 2.4503 2.4503 2.7196 2.7196 2.7914 2.7914 2.9377 2.9377 3.0120 3.0120 3.0975 3.0975 3.1538 3.1538 3.2370 3.2370 3.2858 3.2858 3.5449 3.5449 4.3076 4.3076 4.5389 4.5389 7.0978 7.0978 7.5708 7.5708 7.9268 7.9268 8.3272 8.3272 9.0708 9.0708 k = 0.2059 0.1189 0.4304 ( 13410 PWs) bands (ev): -15.2615 -15.2615 -8.4267 -8.4267 -7.8465 -7.8465 -4.0438 -4.0438 -2.6428 -2.6428 -2.6158 -2.6158 -0.2185 -0.2185 -0.0579 -0.0579 0.0289 0.0289 1.3543 1.3543 1.5477 1.5477 1.6344 1.6344 1.9114 1.9114 2.2390 2.2390 2.3168 2.3168 2.4606 2.4606 2.7213 2.7213 2.7994 2.7994 2.9389 2.9389 3.0145 3.0145 3.1007 3.1007 3.1631 3.1631 3.2409 3.2409 3.2937 3.2937 3.5333 3.5333 4.2629 4.2629 4.5160 4.5160 7.1077 7.1077 7.6204 7.6204 8.0057 8.0057 8.3225 8.3225 9.0502 9.0502 k = 0.2206 0.1274 0.4304 ( 13408 PWs) bands (ev): -15.2611 -15.2611 -8.4172 -8.4172 -7.8567 -7.8567 -4.0461 -4.0461 -2.6489 -2.6489 -2.6179 -2.6179 -0.2132 -0.2132 -0.0574 -0.0574 0.0316 0.0316 1.3491 1.3491 1.5214 1.5214 1.6178 1.6178 1.9231 1.9231 2.2481 2.2481 2.3342 2.3342 2.4711 2.4711 2.7226 2.7226 2.8069 2.8069 2.9395 2.9395 3.0159 3.0159 3.1033 3.1033 3.1685 3.1685 3.2465 3.2465 3.3041 3.3041 3.5221 3.5221 4.2198 4.2198 4.4932 4.4932 7.1144 7.1144 7.6717 7.6717 8.0873 8.0873 8.3200 8.3200 9.0376 9.0376 k = 0.2353 0.1358 0.4304 ( 13412 PWs) bands (ev): -15.2606 -15.2606 -8.4074 -8.4074 -7.8673 -7.8673 -4.0484 -4.0484 -2.6554 -2.6554 -2.6202 -2.6202 -0.2079 -0.2079 -0.0545 -0.0545 0.0345 0.0345 1.3421 1.3421 1.4949 1.4949 1.6015 1.6015 1.9351 1.9351 2.2579 2.2579 2.3518 2.3518 2.4817 2.4817 2.7237 2.7237 2.8139 2.8139 2.9396 2.9396 3.0160 3.0160 3.1051 3.1051 3.1709 3.1709 3.2526 3.2526 3.3165 3.3165 3.5116 3.5116 4.1791 4.1791 4.4705 4.4705 7.1188 7.1188 7.7235 7.7235 8.1707 8.1707 8.3191 8.3191 9.0346 9.0346 k = 0.2500 0.1443 0.4304 ( 13424 PWs) bands (ev): -15.2601 -15.2601 -8.3971 -8.3971 -7.8783 -7.8783 -4.0509 -4.0509 -2.6622 -2.6622 -2.6224 -2.6224 -0.2028 -0.2028 -0.0488 -0.0488 0.0374 0.0374 1.3330 1.3330 1.4686 1.4686 1.5857 1.5857 1.9472 1.9472 2.2685 2.2685 2.3695 2.3695 2.4926 2.4926 2.7244 2.7244 2.8204 2.8204 2.9393 2.9393 3.0146 3.0146 3.1060 3.1060 3.1711 3.1711 3.2583 3.2583 3.3301 3.3301 3.5023 3.5023 4.1410 4.1410 4.4482 4.4482 7.1216 7.1216 7.7746 7.7746 8.2549 8.2549 8.3193 8.3193 9.0420 9.0420 k = 0.2647 0.1528 0.4304 ( 13420 PWs) bands (ev): -15.2596 -15.2596 -8.3864 -8.3864 -7.8897 -7.8897 -4.0534 -4.0534 -2.6694 -2.6694 -2.6247 -2.6247 -0.1982 -0.1982 -0.0400 -0.0400 0.0404 0.0404 1.3213 1.3213 1.4432 1.4432 1.5704 1.5704 1.9594 1.9594 2.2799 2.2799 2.3873 2.3873 2.5036 2.5036 2.7250 2.7250 2.8262 2.8262 2.9385 2.9385 3.0115 3.0115 3.1057 3.1057 3.1699 3.1699 3.2630 3.2630 3.3437 3.3437 3.4949 3.4949 4.1063 4.1063 4.4264 4.4264 7.1235 7.1235 7.8246 7.8246 8.3126 8.3126 8.3460 8.3460 9.0607 9.0607 k = 0.2794 0.1613 0.4304 ( 13420 PWs) bands (ev): -15.2591 -15.2591 -8.3754 -8.3754 -7.9013 -7.9013 -4.0560 -4.0560 -2.6768 -2.6768 -2.6269 -2.6269 -0.1942 -0.1942 -0.0281 -0.0281 0.0434 0.0434 1.3062 1.3062 1.4196 1.4196 1.5557 1.5557 1.9714 1.9714 2.2923 2.2923 2.4051 2.4051 2.5148 2.5148 2.7254 2.7254 2.8315 2.8315 2.9371 2.9371 3.0068 3.0068 3.1038 3.1038 3.1675 3.1675 3.2666 3.2666 3.3565 3.3565 3.4898 3.4898 4.0751 4.0751 4.4050 4.4050 7.1249 7.1249 7.8731 7.8731 8.3123 8.3123 8.4291 8.4291 9.0904 9.0904 k = 0.2941 0.1698 0.4304 ( 13426 PWs) bands (ev): -15.2587 -15.2587 -8.3642 -8.3642 -7.9131 -7.9131 -4.0587 -4.0587 -2.6843 -2.6843 -2.6291 -2.6291 -0.1911 -0.1911 -0.0129 -0.0129 0.0464 0.0464 1.2868 1.2868 1.3988 1.3988 1.5417 1.5417 1.9832 1.9832 2.3058 2.3058 2.4230 2.4230 2.5263 2.5263 2.7257 2.7257 2.8361 2.8361 2.9352 2.9352 3.0008 3.0008 3.1000 3.1000 3.1640 3.1640 3.2690 3.2690 3.3680 3.3680 3.4874 3.4874 4.0479 4.0479 4.3844 4.3844 7.1262 7.1262 7.9203 7.9203 8.3080 8.3080 8.5135 8.5135 9.1301 9.1301 k = 0.3088 0.1783 0.4304 ( 13432 PWs) bands (ev): -15.2582 -15.2582 -8.3527 -8.3527 -7.9251 -7.9251 -4.0613 -4.0613 -2.6920 -2.6920 -2.6312 -2.6312 -0.1886 -0.1886 0.0053 0.0053 0.0495 0.0495 1.2628 1.2628 1.3812 1.3812 1.5284 1.5284 1.9944 1.9944 2.3205 2.3205 2.4408 2.4408 2.5380 2.5380 2.7259 2.7259 2.8401 2.8401 2.9325 2.9325 2.9938 2.9938 3.0940 3.0940 3.1592 3.1592 3.2699 3.2699 3.3781 3.3781 3.4879 3.4879 4.0246 4.0246 4.3645 4.3645 7.1274 7.1274 7.9662 7.9662 8.3019 8.3019 8.5961 8.5961 9.1775 9.1775 k = 0.3235 0.1868 0.4304 ( 13438 PWs) bands (ev): -15.2578 -15.2578 -8.3411 -8.3411 -7.9372 -7.9372 -4.0640 -4.0640 -2.6995 -2.6995 -2.6333 -2.6333 -0.1868 -0.1868 0.0260 0.0260 0.0530 0.0530 1.2348 1.2348 1.3668 1.3668 1.5158 1.5158 2.0052 2.0052 2.3365 2.3365 2.4585 2.4585 2.5499 2.5499 2.7262 2.7262 2.8433 2.8433 2.9290 2.9290 2.9861 2.9861 3.0857 3.0857 3.1531 3.1531 3.2696 3.2696 3.3871 3.3871 3.4911 3.4911 4.0053 4.0053 4.3454 4.3454 7.1289 7.1289 8.0108 8.0108 8.2948 8.2948 8.6756 8.6756 9.2294 9.2294 k = 0.3382 0.1953 0.4304 ( 13432 PWs) bands (ev): -15.2573 -15.2573 -8.3294 -8.3294 -7.9494 -7.9494 -4.0666 -4.0666 -2.7069 -2.7069 -2.6353 -2.6353 -0.1856 -0.1856 0.0462 0.0462 0.0593 0.0593 1.2034 1.2034 1.3549 1.3549 1.5042 1.5042 2.0152 2.0152 2.3536 2.3536 2.4759 2.4759 2.5620 2.5620 2.7265 2.7265 2.8457 2.8457 2.9246 2.9246 2.9781 2.9781 3.0750 3.0750 3.1454 3.1454 3.2682 3.2682 3.3954 3.3954 3.4964 3.4964 3.9898 3.9898 4.3273 4.3273 7.1306 7.1306 8.0537 8.0537 8.2877 8.2877 8.7508 8.7508 9.2811 9.2811 k = 0.3529 0.2038 0.4304 ( 13432 PWs) bands (ev): -15.2569 -15.2569 -8.3177 -8.3177 -7.9614 -7.9614 -4.0691 -4.0691 -2.7141 -2.7141 -2.6372 -2.6372 -0.1847 -0.1847 0.0549 0.0549 0.0792 0.0792 1.1698 1.1698 1.3449 1.3449 1.4934 1.4934 2.0244 2.0244 2.3719 2.3719 2.4931 2.4931 2.5743 2.5743 2.7270 2.7270 2.8467 2.8467 2.9195 2.9195 2.9698 2.9698 3.0622 3.0622 3.1362 3.1362 3.2661 3.2661 3.4033 3.4033 3.5032 3.5032 3.9776 3.9776 4.3102 4.3102 7.1325 7.1325 8.0937 8.0937 8.2824 8.2824 8.8206 8.8206 9.3271 9.3271 k = 0.3676 0.2123 0.4304 ( 13424 PWs) bands (ev): -15.2566 -15.2566 -8.3061 -8.3061 -7.9734 -7.9734 -4.0715 -4.0715 -2.7210 -2.7210 -2.6389 -2.6389 -0.1842 -0.1842 0.0582 0.0582 0.1059 0.1059 1.1348 1.1348 1.3363 1.3363 1.4835 1.4835 2.0328 2.0328 2.3911 2.3911 2.5098 2.5098 2.5868 2.5868 2.7277 2.7277 2.8460 2.8460 2.9142 2.9142 2.9613 2.9613 3.0481 3.0481 3.1257 3.1257 3.2637 3.2637 3.4110 3.4110 3.5111 3.5111 3.9683 3.9683 4.2942 4.2942 7.1346 7.1346 8.1283 8.1283 8.2819 8.2819 8.8840 8.8840 9.3617 9.3617 k = 0.3824 0.2208 0.4304 ( 13426 PWs) bands (ev): -15.2562 -15.2562 -8.2948 -8.2948 -7.9850 -7.9850 -4.0738 -4.0738 -2.7274 -2.7274 -2.6405 -2.6405 -0.1839 -0.1839 0.0608 0.0608 0.1343 0.1343 1.0991 1.0991 1.3290 1.3290 1.4745 1.4745 2.0402 2.0402 2.4110 2.4110 2.5261 2.5261 2.5994 2.5994 2.7286 2.7286 2.8425 2.8425 2.9093 2.9093 2.9523 2.9523 3.0335 3.0335 3.1142 3.1142 3.2612 3.2612 3.4184 3.4184 3.5195 3.5195 3.9613 3.9613 4.2794 4.2794 7.1369 7.1369 8.1536 8.1536 8.2901 8.2901 8.9402 8.9402 9.3818 9.3818 k = 0.3971 0.2292 0.4304 ( 13444 PWs) bands (ev): -15.2559 -15.2559 -8.2838 -8.2838 -7.9962 -7.9962 -4.0759 -4.0759 -2.7333 -2.7333 -2.6420 -2.6420 -0.1837 -0.1837 0.0630 0.0630 0.1634 0.1634 1.0637 1.0637 1.3226 1.3226 1.4666 1.4666 2.0468 2.0468 2.4313 2.4313 2.5420 2.5420 2.6121 2.6121 2.7298 2.7298 2.8357 2.8357 2.9057 2.9057 2.9423 2.9423 3.0196 3.0196 3.1021 3.1021 3.2588 3.2588 3.4256 3.4256 3.5279 3.5279 3.9563 3.9563 4.2659 4.2659 7.1392 7.1392 8.1669 8.1669 8.3093 8.3093 8.9887 8.9887 9.3888 9.3888 k = 0.4118 0.2377 0.4304 ( 13434 PWs) bands (ev): -15.2556 -15.2556 -8.2734 -8.2734 -8.0068 -8.0068 -4.0778 -4.0778 -2.7385 -2.7385 -2.6432 -2.6432 -0.1836 -0.1836 0.0649 0.0649 0.1922 0.1922 1.0293 1.0293 1.3172 1.3172 1.4597 1.4597 2.0524 2.0524 2.4512 2.4512 2.5576 2.5576 2.6247 2.6247 2.7314 2.7314 2.8250 2.8250 2.9029 2.9029 2.9319 2.9319 3.0074 3.0074 3.0898 3.0898 3.2567 3.2567 3.4323 3.4323 3.5361 3.5361 3.9528 3.9528 4.2539 4.2539 7.1415 7.1415 8.1707 8.1707 8.3368 8.3368 9.0295 9.0295 9.3868 9.3868 k = 0.4265 0.2462 0.4304 ( 13448 PWs) bands (ev): -15.2554 -15.2554 -8.2638 -8.2638 -8.0166 -8.0166 -4.0794 -4.0794 -2.7431 -2.7431 -2.6443 -2.6443 -0.1836 -0.1836 0.0665 0.0665 0.2199 0.2199 0.9968 0.9968 1.3126 1.3126 1.4537 1.4537 2.0572 2.0572 2.4702 2.4702 2.5731 2.5731 2.6370 2.6370 2.7332 2.7332 2.8111 2.8111 2.8984 2.8984 2.9236 2.9236 2.9973 2.9973 3.0780 3.0780 3.2548 3.2548 3.4383 3.4383 3.5437 3.5437 3.9503 3.9503 4.2435 4.2435 7.1436 7.1436 8.1694 8.1694 8.3673 8.3673 9.0627 9.0627 9.3800 9.3800 k = 0.4412 0.2547 0.4304 ( 13448 PWs) bands (ev): -15.2552 -15.2552 -8.2552 -8.2552 -8.0253 -8.0253 -4.0808 -4.0808 -2.7470 -2.7470 -2.6452 -2.6452 -0.1836 -0.1836 0.0679 0.0679 0.2455 0.2455 0.9675 0.9675 1.3088 1.3088 1.4489 1.4489 2.0610 2.0610 2.4871 2.4871 2.5886 2.5886 2.6490 2.6490 2.7352 2.7352 2.7946 2.7946 2.8890 2.8890 2.9210 2.9210 2.9893 2.9893 3.0672 3.0672 3.2534 3.2534 3.4435 3.4435 3.5503 3.5503 3.9487 3.9487 4.2347 4.2347 7.1455 7.1455 8.1661 8.1661 8.3966 8.3966 9.0889 9.0889 9.3714 9.3714 k = 0.4559 0.2632 0.4304 ( 13450 PWs) bands (ev): -15.2550 -15.2550 -8.2480 -8.2480 -8.0326 -8.0326 -4.0819 -4.0819 -2.7500 -2.7500 -2.6460 -2.6460 -0.1836 -0.1836 0.0689 0.0689 0.2675 0.2675 0.9424 0.9424 1.3059 1.3059 1.4451 1.4451 2.0640 2.0640 2.5011 2.5011 2.6040 2.6040 2.6607 2.6607 2.7363 2.7363 2.7773 2.7773 2.8770 2.8770 2.9227 2.9227 2.9827 2.9827 3.0580 3.0580 3.2522 3.2522 3.4477 3.4477 3.5558 3.5558 3.9477 3.9477 4.2277 4.2277 7.1471 7.1471 8.1625 8.1625 8.4220 8.4220 9.1085 9.1085 9.3631 9.3631 k = 0.4706 0.2717 0.4304 ( 13450 PWs) bands (ev): -15.2549 -15.2549 -8.2425 -8.2425 -8.0382 -8.0382 -4.0827 -4.0827 -2.7523 -2.7523 -2.6465 -2.6465 -0.1836 -0.1836 0.0697 0.0697 0.2846 0.2846 0.9231 0.9231 1.3038 1.3038 1.4424 1.4424 2.0661 2.0661 2.5113 2.5113 2.6180 2.6180 2.6728 2.6728 2.7329 2.7329 2.7633 2.7633 2.8660 2.8660 2.9258 2.9258 2.9775 2.9775 3.0509 3.0509 3.2514 3.2514 3.4508 3.4508 3.5598 3.5598 3.9470 3.9470 4.2227 4.2227 7.1483 7.1483 8.1595 8.1595 8.4415 8.4415 9.1221 9.1221 9.3565 9.3565 k = 0.4853 0.2802 0.4304 ( 13464 PWs) bands (ev): -15.2549 -15.2549 -8.2390 -8.2390 -8.0417 -8.0417 -4.0832 -4.0832 -2.7536 -2.7536 -2.6468 -2.6468 -0.1836 -0.1836 0.0701 0.0701 0.2956 0.2956 0.9108 0.9108 1.3026 1.3026 1.4408 1.4408 2.0673 2.0673 2.5176 2.5176 2.6281 2.6281 2.6866 2.6866 2.7204 2.7204 2.7576 2.7576 2.8583 2.8583 2.9287 2.9287 2.9738 2.9738 3.0465 3.0465 3.2510 3.2510 3.4527 3.4527 3.5623 3.5623 3.9467 3.9467 4.2196 4.2196 7.1490 7.1490 8.1576 8.1576 8.4538 8.4538 9.1301 9.1301 9.3523 9.3523 k = 0.5000 0.2887 0.4304 ( 13460 PWs) bands (ev): -15.2548 -15.2548 -8.2378 -8.2378 -8.0429 -8.0429 -4.0833 -4.0833 -2.7540 -2.7540 -2.6469 -2.6469 -0.1836 -0.1836 0.0703 0.0703 0.2994 0.2994 0.9066 0.9066 1.3021 1.3021 1.4402 1.4402 2.0678 2.0678 2.5197 2.5197 2.6318 2.6318 2.7021 2.7021 2.7042 2.7042 2.7568 2.7568 2.8556 2.8556 2.9298 2.9298 2.9725 2.9725 3.0450 3.0450 3.2508 3.2508 3.4533 3.4533 3.5632 3.5632 3.9466 3.9466 4.2186 4.2186 7.1493 7.1493 8.1569 8.1569 8.4579 8.4579 9.1327 9.1327 9.3508 9.3508 k = 0.5000 0.2887 0.4304 ( 13460 PWs) bands (ev): -15.2548 -15.2548 -8.2378 -8.2378 -8.0429 -8.0429 -4.0833 -4.0833 -2.7540 -2.7540 -2.6469 -2.6469 -0.1836 -0.1836 0.0703 0.0703 0.2994 0.2994 0.9066 0.9066 1.3021 1.3021 1.4402 1.4402 2.0678 2.0678 2.5197 2.5197 2.6318 2.6318 2.7021 2.7021 2.7042 2.7042 2.7568 2.7568 2.8556 2.8556 2.9298 2.9298 2.9725 2.9725 3.0450 3.0450 3.2508 3.2508 3.4533 3.4533 3.5632 3.5632 3.9466 3.9466 4.2186 4.2186 7.1493 7.1493 8.1569 8.1569 8.4579 8.4579 9.1327 9.1327 9.3508 9.3508 k = 0.4917 0.3031 0.4304 ( 13468 PWs) bands (ev): -15.2548 -15.2548 -8.2376 -8.2376 -8.0432 -8.0432 -4.0834 -4.0834 -2.7541 -2.7541 -2.6473 -2.6473 -0.1823 -0.1823 0.0712 0.0712 0.2991 0.2991 0.9070 0.9070 1.3010 1.3010 1.4385 1.4385 2.0685 2.0685 2.5196 2.5196 2.6300 2.6300 2.6984 2.6984 2.7081 2.7081 2.7581 2.7581 2.8559 2.8559 2.9299 2.9299 2.9729 2.9729 3.0451 3.0451 3.2504 3.2504 3.4542 3.4542 3.5630 3.5630 3.9463 3.9463 4.2162 4.2162 7.1532 7.1532 8.1596 8.1596 8.4580 8.4580 9.1337 9.1337 9.3518 9.3518 k = 0.4833 0.3175 0.4304 ( 13462 PWs) bands (ev): -15.2548 -15.2548 -8.2368 -8.2368 -8.0439 -8.0439 -4.0837 -4.0837 -2.7541 -2.7541 -2.6487 -2.6487 -0.1785 -0.1785 0.0739 0.0739 0.2982 0.2982 0.9080 0.9080 1.2977 1.2977 1.4336 1.4336 2.0708 2.0708 2.5194 2.5194 2.6248 2.6248 2.6942 2.6942 2.7125 2.7125 2.7618 2.7618 2.8569 2.8569 2.9302 2.9302 2.9740 2.9740 3.0454 3.0454 3.2492 3.2492 3.4569 3.4569 3.5626 3.5626 3.9457 3.9457 4.2092 4.2092 7.1650 7.1650 8.1677 8.1677 8.4580 8.4580 9.1365 9.1365 9.3549 9.3549 k = 0.4750 0.3320 0.4304 ( 13462 PWs) bands (ev): -15.2548 -15.2548 -8.2355 -8.2355 -8.0451 -8.0451 -4.0841 -4.0841 -2.7542 -2.7542 -2.6509 -2.6509 -0.1720 -0.1720 0.0784 0.0784 0.2968 0.2968 0.9097 0.9097 1.2922 1.2922 1.4254 1.4254 2.0746 2.0746 2.5189 2.5189 2.6172 2.6172 2.6902 2.6902 2.7161 2.7161 2.7682 2.7682 2.8584 2.8584 2.9307 2.9307 2.9760 2.9760 3.0457 3.0457 3.2474 3.2474 3.4611 3.4611 3.5618 3.5618 3.9447 3.9447 4.1977 4.1977 7.1845 7.1845 8.1811 8.1811 8.4582 8.4582 9.1410 9.1410 9.3600 9.3600 k = 0.4667 0.3464 0.4304 ( 13466 PWs) bands (ev): -15.2547 -15.2547 -8.2337 -8.2337 -8.0468 -8.0468 -4.0847 -4.0847 -2.7543 -2.7543 -2.6539 -2.6539 -0.1632 -0.1632 0.0845 0.0845 0.2949 0.2949 0.9122 0.9122 1.2847 1.2847 1.4141 1.4141 2.0799 2.0799 2.5177 2.5177 2.6083 2.6083 2.6861 2.6861 2.7189 2.7189 2.7768 2.7768 2.8602 2.8602 2.9313 2.9313 2.9788 2.9788 3.0461 3.0461 3.2451 3.2451 3.4667 3.4667 3.5609 3.5609 3.9431 3.9431 4.1820 4.1820 7.2112 7.2112 8.1996 8.1996 8.4585 8.4585 9.1467 9.1467 9.3667 9.3667 k = 0.4583 0.3608 0.4304 ( 13458 PWs) bands (ev): -15.2547 -15.2547 -8.2313 -8.2313 -8.0490 -8.0490 -4.0854 -4.0854 -2.7544 -2.7544 -2.6577 -2.6577 -0.1520 -0.1520 0.0921 0.0921 0.2925 0.2925 0.9153 0.9153 1.2752 1.2752 1.3999 1.3999 2.0867 2.0867 2.5156 2.5156 2.5991 2.5991 2.6815 2.6815 2.7211 2.7211 2.7871 2.7871 2.8622 2.8622 2.9319 2.9319 2.9824 2.9824 3.0466 3.0466 3.2425 3.2425 3.4733 3.4733 3.5598 3.5598 3.9412 3.9412 4.1626 4.1626 7.2447 7.2447 8.2227 8.2227 8.4590 8.4590 9.1529 9.1529 9.3749 9.3749 k = 0.4500 0.3753 0.4304 ( 13450 PWs) bands (ev): -15.2546 -15.2546 -8.2285 -8.2285 -8.0516 -8.0516 -4.0863 -4.0863 -2.7545 -2.7545 -2.6621 -2.6621 -0.1386 -0.1386 0.1011 0.1011 0.2897 0.2897 0.9191 0.9191 1.2639 1.2639 1.3831 1.3831 2.0949 2.0949 2.5118 2.5118 2.5905 2.5905 2.6765 2.6765 2.7232 2.7232 2.7986 2.7986 2.8645 2.8645 2.9326 2.9326 2.9869 2.9869 3.0471 3.0471 3.2398 3.2398 3.4806 3.4806 3.5586 3.5586 3.9387 3.9387 4.1401 4.1401 7.2845 7.2845 8.2502 8.2502 8.4599 8.4599 9.1591 9.1591 9.3841 9.3841 k = 0.4417 0.3897 0.4304 ( 13448 PWs) bands (ev): -15.2545 -15.2545 -8.2252 -8.2252 -8.0548 -8.0548 -4.0873 -4.0873 -2.7546 -2.7546 -2.6672 -2.6672 -0.1232 -0.1232 0.1112 0.1112 0.2865 0.2865 0.9235 0.9235 1.2510 1.2510 1.3638 1.3638 2.1044 2.1044 2.5059 2.5059 2.5832 2.5832 2.6714 2.6714 2.7252 2.7252 2.8106 2.8106 2.8669 2.8669 2.9333 2.9333 2.9920 2.9920 3.0477 3.0477 3.2371 3.2371 3.4884 3.4884 3.5574 3.5574 3.9356 3.9356 4.1151 4.1151 7.3299 7.3299 8.2815 8.2815 8.4612 8.4612 9.1644 9.1644 9.3937 9.3937 k = 0.4333 0.4041 0.4304 ( 13456 PWs) bands (ev): -15.2544 -15.2544 -8.2213 -8.2213 -8.0584 -8.0584 -4.0883 -4.0883 -2.7545 -2.7545 -2.6727 -2.6727 -0.1061 -0.1061 0.1222 0.1222 0.2831 0.2831 0.9286 0.9286 1.2368 1.2368 1.3425 1.3425 2.1152 2.1152 2.4976 2.4976 2.5774 2.5774 2.6664 2.6664 2.7269 2.7269 2.8229 2.8229 2.8696 2.8696 2.9339 2.9339 2.9975 2.9975 3.0483 3.0483 3.2346 3.2346 3.4962 3.4962 3.5564 3.5564 3.9320 3.9320 4.0883 4.0883 7.3799 7.3799 8.3160 8.3160 8.4632 8.4632 9.1682 9.1682 9.4028 9.4028 k = 0.4250 0.4186 0.4304 ( 13452 PWs) bands (ev): -15.2543 -15.2543 -8.2170 -8.2170 -8.0626 -8.0626 -4.0895 -4.0895 -2.7544 -2.7544 -2.6786 -2.6786 -0.0874 -0.0874 0.1338 0.1338 0.2796 0.2796 0.9342 0.9342 1.2215 1.2215 1.3194 1.3194 2.1274 2.1274 2.4870 2.4870 2.5730 2.5730 2.6618 2.6618 2.7284 2.7284 2.8352 2.8352 2.8728 2.8728 2.9344 2.9344 3.0030 3.0030 3.0493 3.0493 3.2323 3.2323 3.5036 3.5036 3.5557 3.5557 3.9277 3.9277 4.0606 4.0606 7.4338 7.4338 8.3530 8.3530 8.4659 8.4659 9.1698 9.1698 9.4104 9.4104 k = 0.4167 0.4330 0.4304 ( 13440 PWs) bands (ev): -15.2542 -15.2542 -8.2122 -8.2122 -8.0672 -8.0672 -4.0907 -4.0907 -2.7542 -2.7542 -2.6848 -2.6848 -0.0675 -0.0675 0.1454 0.1454 0.2762 0.2762 0.9404 0.9404 1.2053 1.2053 1.2950 1.2950 2.1407 2.1407 2.4746 2.4746 2.5695 2.5695 2.6580 2.6580 2.7293 2.7293 2.8471 2.8471 2.8768 2.8768 2.9349 2.9349 3.0079 3.0079 3.0510 3.0510 3.2303 3.2303 3.5104 3.5104 3.5553 3.5553 3.9225 3.9225 4.0329 4.0329 7.4905 7.4905 8.3916 8.3916 8.4699 8.4699 9.1689 9.1689 9.4153 9.4153 k = 0.4083 0.4474 0.4304 ( 13432 PWs) bands (ev): -15.2541 -15.2541 -8.2068 -8.2068 -8.0723 -8.0723 -4.0919 -4.0919 -2.7537 -2.7537 -2.6912 -2.6912 -0.0466 -0.0466 0.1566 0.1566 0.2733 0.2733 0.9472 0.9472 1.1887 1.1887 1.2697 1.2697 2.1551 2.1551 2.4607 2.4607 2.5662 2.5662 2.6553 2.6553 2.7298 2.7298 2.8582 2.8582 2.8817 2.8817 2.9355 2.9355 3.0113 3.0113 3.0541 3.0541 3.2285 3.2285 3.5160 3.5160 3.5555 3.5555 3.9163 3.9163 4.0063 4.0063 7.5488 7.5488 8.4306 8.4306 8.4754 8.4754 9.1655 9.1655 9.4162 9.4162 k = 0.4000 0.4619 0.4304 ( 13424 PWs) bands (ev): -15.2540 -15.2540 -8.2011 -8.2011 -8.0778 -8.0778 -4.0930 -4.0930 -2.7531 -2.7531 -2.6975 -2.6975 -0.0253 -0.0253 0.1667 0.1667 0.2712 0.2712 0.9544 0.9544 1.1718 1.1718 1.2439 1.2439 2.1706 2.1706 2.4459 2.4459 2.5628 2.5628 2.6539 2.6539 2.7295 2.7295 2.8680 2.8680 2.8878 2.8878 2.9364 2.9364 3.0127 3.0127 3.0589 3.0589 3.2268 3.2268 3.5203 3.5203 3.5563 3.5563 3.9085 3.9085 3.9821 3.9821 7.6072 7.6072 8.4677 8.4677 8.4842 8.4842 9.1597 9.1597 9.4119 9.4119 k = 0.3917 0.4763 0.4304 ( 13440 PWs) bands (ev): -15.2539 -15.2539 -8.1948 -8.1948 -8.0839 -8.0839 -4.0942 -4.0942 -2.7523 -2.7523 -2.7039 -2.7039 -0.0039 -0.0039 0.1749 0.1749 0.2704 0.2704 0.9619 0.9619 1.1552 1.1552 1.2183 1.2183 2.1871 2.1871 2.4305 2.4305 2.5589 2.5589 2.6538 2.6538 2.7286 2.7286 2.8764 2.8764 2.8949 2.8949 2.9378 2.9378 3.0121 3.0121 3.0652 3.0652 3.2250 3.2250 3.5231 3.5231 3.5574 3.5574 3.8988 3.8988 3.9617 3.9617 7.6641 7.6641 8.4889 8.4889 8.5095 8.5095 9.1523 9.1523 9.4017 9.4017 k = 0.3833 0.4907 0.4304 ( 13450 PWs) bands (ev): -15.2538 -15.2538 -8.1881 -8.1881 -8.0904 -8.0904 -4.0952 -4.0952 -2.7513 -2.7513 -2.7100 -2.7100 0.0171 0.0171 0.1807 0.1807 0.2714 0.2714 0.9697 0.9697 1.1391 1.1391 1.1934 1.1934 2.2044 2.2044 2.4145 2.4145 2.5546 2.5546 2.6549 2.6549 2.7271 2.7271 2.8837 2.8837 2.9020 2.9020 2.9399 2.9399 3.0099 3.0099 3.0725 3.0725 3.2229 3.2229 3.5246 3.5246 3.5587 3.5587 3.8872 3.8872 3.9460 3.9460 7.7177 7.7177 8.5020 8.5020 8.5426 8.5426 9.1444 9.1444 9.3857 9.3857 k = 0.3750 0.5052 0.4304 ( 13452 PWs) bands (ev): -15.2537 -15.2537 -8.1810 -8.1810 -8.0974 -8.0974 -4.0962 -4.0962 -2.7500 -2.7500 -2.7159 -2.7159 0.0369 0.0369 0.1839 0.1839 0.2742 0.2742 0.9774 0.9774 1.1238 1.1238 1.1703 1.1703 2.2224 2.2224 2.3983 2.3983 2.5500 2.5500 2.6570 2.6570 2.7250 2.7250 2.8904 2.8904 2.9082 2.9082 2.9430 2.9430 3.0068 3.0068 3.0801 3.0801 3.2203 3.2203 3.5250 3.5250 3.5599 3.5599 3.8748 3.8748 3.9346 3.9346 7.7662 7.7662 8.5174 8.5174 8.5720 8.5720 9.1376 9.1376 9.3644 9.3644 k = 0.3667 0.5196 0.4304 ( 13436 PWs) bands (ev): -15.2537 -15.2537 -8.1734 -8.1734 -8.1048 -8.1048 -4.0971 -4.0971 -2.7484 -2.7484 -2.7213 -2.7213 0.0550 0.0550 0.1848 0.1848 0.2782 0.2782 0.9849 0.9849 1.1098 1.1098 1.1497 1.1497 2.2409 2.2409 2.3820 2.3820 2.5454 2.5454 2.6598 2.6598 2.7225 2.7225 2.8967 2.8967 2.9129 2.9129 2.9465 2.9465 3.0036 3.0036 3.0875 3.0875 3.2172 3.2172 3.5247 3.5247 3.5607 3.5607 3.8632 3.8632 3.9264 3.9264 7.8075 7.8075 8.5356 8.5356 8.5958 8.5958 9.1337 9.1337 9.3388 9.3388 k = 0.3583 0.5340 0.4304 ( 13452 PWs) bands (ev): -15.2536 -15.2536 -8.1654 -8.1654 -8.1127 -8.1127 -4.0978 -4.0978 -2.7466 -2.7466 -2.7263 -2.7263 0.0703 0.0703 0.1842 0.1842 0.2827 0.2827 0.9914 0.9914 1.0973 1.0973 1.1328 1.1328 2.2596 2.2596 2.3655 2.3655 2.5410 2.5410 2.6628 2.6628 2.7199 2.7199 2.9026 2.9026 2.9162 2.9162 2.9494 2.9494 3.0010 3.0010 3.0939 3.0939 3.2138 3.2138 3.5239 3.5239 3.5611 3.5611 3.8539 3.8539 3.9205 3.9205 7.8403 7.8403 8.5561 8.5561 8.6126 8.6126 9.1351 9.1351 9.3098 9.3098 k = 0.3500 0.5485 0.4304 ( 13450 PWs) bands (ev): -15.2536 -15.2536 -8.1570 -8.1570 -8.1210 -8.1210 -4.0983 -4.0983 -2.7446 -2.7446 -2.7307 -2.7307 0.0820 0.0820 0.1832 0.1832 0.2867 0.2867 0.9965 0.9965 1.0872 1.0872 1.1205 1.1205 2.2781 2.2781 2.3491 2.3491 2.5373 2.5373 2.6657 2.6657 2.7174 2.7174 2.9078 2.9078 2.9188 2.9188 2.9505 2.9505 2.9997 2.9997 3.0988 3.0988 3.2105 3.2105 3.5231 3.5231 3.5612 3.5612 3.8473 3.8473 3.9165 3.9165 7.8635 7.8635 8.5771 8.5771 8.6214 8.6214 9.1437 9.1437 9.2786 9.2786 k = 0.3417 0.5629 0.4304 ( 13446 PWs) bands (ev): -15.2535 -15.2535 -8.1483 -8.1483 -8.1297 -8.1297 -4.0986 -4.0986 -2.7426 -2.7426 -2.7342 -2.7342 0.0892 0.0892 0.1826 0.1826 0.2895 0.2895 0.9994 0.9994 1.0807 1.0807 1.1132 1.1132 2.2957 2.2957 2.3333 2.3333 2.5347 2.5347 2.6678 2.6678 2.7156 2.7156 2.9115 2.9115 2.9209 2.9209 2.9497 2.9497 2.9998 2.9998 3.1018 3.1018 3.2079 3.2079 3.5225 3.5225 3.5612 3.5612 3.8435 3.8435 3.9140 3.9140 7.8770 7.8770 8.5962 8.5962 8.6218 8.6218 9.1606 9.1606 9.2472 9.2472 k = 0.3333 0.5774 0.4304 ( 13434 PWs) bands (ev): -15.2535 -15.2535 -8.1403 -8.1403 -8.1377 -8.1377 -4.0987 -4.0987 -2.7415 -2.7415 -2.7358 -2.7358 0.0915 0.0915 0.1824 0.1824 0.2905 0.2905 1.0002 1.0002 1.0785 1.0785 1.1108 1.1108 2.3069 2.3069 2.3227 2.3227 2.5337 2.5337 2.6686 2.6686 2.7149 2.7149 2.9130 2.9130 2.9219 2.9219 2.9488 2.9488 3.0002 3.0002 3.1026 3.1026 3.2070 3.2070 3.5223 3.5223 3.5612 3.5612 3.8424 3.8424 3.9131 3.9131 7.8813 7.8813 8.6082 8.6082 8.6167 8.6167 9.1754 9.1754 9.2274 9.2274 k = 0.3333 0.5774 0.4304 ( 13434 PWs) bands (ev): -15.2535 -15.2535 -8.1403 -8.1403 -8.1377 -8.1377 -4.0987 -4.0987 -2.7415 -2.7415 -2.7358 -2.7358 0.0915 0.0915 0.1824 0.1824 0.2905 0.2905 1.0002 1.0002 1.0785 1.0785 1.1108 1.1108 2.3069 2.3069 2.3227 2.3227 2.5337 2.5337 2.6686 2.6686 2.7149 2.7149 2.9130 2.9130 2.9219 2.9219 2.9488 2.9488 3.0002 3.0002 3.1026 3.1026 3.2070 3.2070 3.5223 3.5223 3.5612 3.5612 3.8424 3.8424 3.9131 3.9131 7.8813 7.8813 8.6082 8.6082 8.6167 8.6167 9.1754 9.1754 9.2274 9.2274 k = 0.3248 0.5625 0.4304 ( 13448 PWs) bands (ev): -15.2535 -15.2535 -8.1489 -8.1489 -8.1291 -8.1291 -4.0986 -4.0986 -2.7424 -2.7424 -2.7342 -2.7342 0.0893 0.0893 0.1823 0.1823 0.2893 0.2893 1.0000 1.0000 1.0806 1.0806 1.1131 1.1131 2.2959 2.2959 2.3328 2.3328 2.5350 2.5350 2.6677 2.6677 2.7157 2.7157 2.9105 2.9105 2.9213 2.9213 2.9504 2.9504 2.9993 2.9993 3.1021 3.1021 3.2080 3.2080 3.5225 3.5225 3.5613 3.5613 3.8434 3.8434 3.9141 3.9141 7.8772 7.8772 8.5942 8.5942 8.6234 8.6234 9.1536 9.1536 9.2541 9.2541 k = 0.3162 0.5477 0.4304 ( 13448 PWs) bands (ev): -15.2536 -15.2536 -8.1590 -8.1590 -8.1190 -8.1190 -4.0982 -4.0982 -2.7439 -2.7439 -2.7312 -2.7312 0.0834 0.0834 0.1810 0.1810 0.2858 0.2858 1.0006 1.0006 1.0862 1.0862 1.1196 1.1196 2.2796 2.2796 2.3457 2.3457 2.5391 2.5391 2.6650 2.6650 2.7179 2.7179 2.9024 2.9024 2.9213 2.9213 2.9546 2.9546 2.9959 2.9959 3.1015 3.1015 3.2110 3.2110 3.5228 3.5228 3.5617 3.5617 3.8463 3.8463 3.9171 3.9171 7.8657 7.8657 8.5688 8.5688 8.6272 8.6272 9.1143 9.1143 9.3068 9.3068 k = 0.3077 0.5329 0.4304 ( 13436 PWs) bands (ev): -15.2536 -15.2536 -8.1696 -8.1696 -8.1085 -8.1085 -4.0976 -4.0976 -2.7449 -2.7449 -2.7275 -2.7275 0.0746 0.0746 0.1778 0.1778 0.2797 0.2797 1.0037 1.0037 1.0947 1.0947 1.1294 1.1294 2.2628 2.2628 2.3560 2.3560 2.5464 2.5464 2.6611 2.6611 2.7211 2.7211 2.8898 2.8898 2.9219 2.9219 2.9597 2.9597 2.9902 2.9902 3.1022 3.1022 3.2154 3.2154 3.5227 3.5227 3.5626 3.5626 3.8507 3.8507 3.9223 3.9223 7.8481 7.8481 8.5362 8.5362 8.6257 8.6257 9.0701 9.0701 9.3699 9.3699 k = 0.2991 0.5181 0.4304 ( 13448 PWs) bands (ev): -15.2537 -15.2537 -8.1805 -8.1805 -8.0977 -8.0977 -4.0967 -4.0967 -2.7451 -2.7451 -2.7235 -2.7235 0.0639 0.0639 0.1720 0.1720 0.2715 0.2715 1.0100 1.0100 1.1058 1.1058 1.1417 1.1417 2.2459 2.2459 2.3631 2.3631 2.5567 2.5567 2.6564 2.6564 2.7248 2.7248 2.8743 2.8743 2.9227 2.9227 2.9622 2.9622 2.9853 2.9853 3.1044 3.1044 3.2206 3.2206 3.5219 3.5219 3.5641 3.5641 3.8562 3.8562 3.9299 3.9299 7.8257 7.8257 8.4976 8.4976 8.6197 8.6197 9.0230 9.0230 9.4379 9.4379 k = 0.2906 0.5033 0.4304 ( 13448 PWs) bands (ev): -15.2538 -15.2538 -8.1917 -8.1917 -8.0866 -8.0866 -4.0955 -4.0955 -2.7446 -2.7446 -2.7191 -2.7191 0.0516 0.0516 0.1634 0.1634 0.2612 0.2612 1.0199 1.0199 1.1193 1.1193 1.1560 1.1560 2.2290 2.2290 2.3671 2.3671 2.5690 2.5690 2.6519 2.6519 2.7284 2.7284 2.8569 2.8569 2.9237 2.9237 2.9575 2.9575 2.9868 2.9868 3.1082 3.1082 3.2259 3.2259 3.5200 3.5200 3.5660 3.5660 3.8626 3.8626 3.9400 3.9400 7.7998 7.7998 8.4541 8.4541 8.6100 8.6100 8.9737 8.9737 9.5068 9.5068 k = 0.2821 0.4885 0.4304 ( 13440 PWs) bands (ev): -15.2540 -15.2540 -8.2032 -8.2032 -8.0752 -8.0752 -4.0941 -4.0941 -2.7433 -2.7433 -2.7145 -2.7145 0.0381 0.0381 0.1522 0.1522 0.2493 0.2493 1.0331 1.0331 1.1348 1.1348 1.1719 1.1719 2.2121 2.2121 2.3683 2.3683 2.5809 2.5809 2.6490 2.6490 2.7314 2.7314 2.8386 2.8386 2.9248 2.9248 2.9480 2.9480 2.9934 2.9934 3.1129 3.1129 3.2311 3.2311 3.5171 3.5171 3.5681 3.5681 3.8699 3.8699 3.9525 3.9525 7.7714 7.7714 8.4066 8.4066 8.5975 8.5975 8.9231 8.9231 9.5732 9.5732 k = 0.2735 0.4737 0.4304 ( 13430 PWs) bands (ev): -15.2542 -15.2542 -8.2150 -8.2150 -8.0635 -8.0635 -4.0924 -4.0924 -2.7413 -2.7413 -2.7096 -2.7096 0.0237 0.0237 0.1386 0.1386 0.2362 0.2362 1.0493 1.0493 1.1522 1.1522 1.1893 1.1893 2.1952 2.1952 2.3674 2.3674 2.5891 2.5891 2.6497 2.6497 2.7333 2.7333 2.8212 2.8212 2.9254 2.9254 2.9382 2.9382 3.0019 3.0019 3.1180 3.1180 3.2357 3.2357 3.5132 3.5132 3.5699 3.5699 3.8780 3.8780 3.9674 3.9674 7.7413 7.7413 8.3560 8.3560 8.5826 8.5826 8.8719 8.8719 9.6349 9.6349 k = 0.2650 0.4589 0.4304 ( 13422 PWs) bands (ev): -15.2544 -15.2544 -8.2270 -8.2270 -8.0516 -8.0516 -4.0905 -4.0905 -2.7385 -2.7385 -2.7045 -2.7045 0.0086 0.0086 0.1232 0.1232 0.2224 0.2224 1.0679 1.0679 1.1710 1.1710 1.2079 1.2079 2.1783 2.1783 2.3649 2.3649 2.5906 2.5906 2.6544 2.6544 2.7338 2.7338 2.8069 2.8069 2.9224 2.9224 2.9325 2.9325 3.0112 3.0112 3.1234 3.1234 3.2395 3.2395 3.5087 3.5087 3.5708 3.5708 3.8870 3.8870 3.9846 3.9846 7.7104 7.7104 8.3027 8.3027 8.5659 8.5659 8.8211 8.8211 9.6909 9.6909 k = 0.2564 0.4441 0.4304 ( 13426 PWs) bands (ev): -15.2546 -15.2546 -8.2392 -8.2392 -8.0395 -8.0395 -4.0884 -4.0884 -2.7351 -2.7351 -2.6993 -2.6993 -0.0071 -0.0071 0.1063 0.1063 0.2082 0.2082 1.0884 1.0884 1.1909 1.1909 1.2277 1.2277 2.1615 2.1615 2.3611 2.3611 2.5859 2.5859 2.6588 2.6588 2.7342 2.7342 2.7980 2.7980 2.9145 2.9145 2.9328 2.9328 3.0212 3.0212 3.1287 3.1287 3.2425 3.2425 3.5036 3.5036 3.5705 3.5705 3.8970 3.8970 4.0040 4.0040 7.6793 7.6793 8.2472 8.2472 8.5477 8.5477 8.7715 8.7715 9.7417 9.7417 k = 0.2479 0.4293 0.4304 ( 13426 PWs) bands (ev): -15.2549 -15.2549 -8.2515 -8.2515 -8.0273 -8.0273 -4.0860 -4.0860 -2.7310 -2.7310 -2.6938 -2.6938 -0.0232 -0.0232 0.0885 0.0885 0.1939 0.1939 1.1101 1.1101 1.2118 1.2118 1.2487 1.2487 2.1447 2.1447 2.3566 2.3566 2.5772 2.5772 2.6565 2.6565 2.7375 2.7375 2.7955 2.7955 2.9065 2.9065 2.9350 2.9350 3.0316 3.0316 3.1336 3.1336 3.2444 3.2444 3.4983 3.4983 3.5687 3.5687 3.9081 3.9081 4.0255 4.0255 7.6487 7.6487 8.1898 8.1898 8.5283 8.5283 8.7238 8.7238 9.7885 9.7885 k = 0.2393 0.4145 0.4304 ( 13430 PWs) bands (ev): -15.2552 -15.2552 -8.2639 -8.2639 -8.0149 -8.0149 -4.0835 -4.0835 -2.7263 -2.7263 -2.6883 -2.6883 -0.0395 -0.0395 0.0702 0.0702 0.1798 0.1798 1.1324 1.1324 1.2333 1.2333 1.2708 1.2708 2.1280 2.1280 2.3514 2.3514 2.5655 2.5655 2.6462 2.6462 2.7442 2.7442 2.7985 2.7985 2.8997 2.8997 2.9379 2.9379 3.0423 3.0423 3.1382 3.1382 3.2454 3.2454 3.4928 3.4928 3.5650 3.5650 3.9203 3.9203 4.0488 4.0488 7.6191 7.6191 8.1310 8.1310 8.5079 8.5079 8.6787 8.6787 9.8328 9.8328 k = 0.2308 0.3997 0.4304 ( 13410 PWs) bands (ev): -15.2555 -15.2555 -8.2764 -8.2764 -8.0024 -8.0024 -4.0808 -4.0808 -2.7212 -2.7212 -2.6827 -2.6827 -0.0558 -0.0558 0.0519 0.0519 0.1659 0.1659 1.1548 1.1548 1.2555 1.2555 1.2939 1.2939 2.1113 2.1113 2.3458 2.3458 2.5514 2.5514 2.6313 2.6313 2.7511 2.7511 2.8054 2.8054 2.8948 2.8948 2.9416 2.9416 3.0533 3.0533 3.1423 3.1423 3.2454 3.2454 3.4874 3.4874 3.5593 3.5593 3.9338 3.9338 4.0739 4.0739 7.5908 7.5908 8.0708 8.0708 8.4870 8.4870 8.6367 8.6367 9.8757 9.8757 k = 0.2222 0.3849 0.4304 ( 13406 PWs) bands (ev): -15.2559 -15.2559 -8.2889 -8.2889 -7.9898 -7.9898 -4.0780 -4.0780 -2.7156 -2.7156 -2.6771 -2.6771 -0.0721 -0.0721 0.0341 0.0341 0.1526 0.1526 1.1768 1.1768 1.2782 1.2782 1.3179 1.3179 2.0948 2.0948 2.3399 2.3399 2.5350 2.5350 2.6150 2.6150 2.7562 2.7562 2.8139 2.8139 2.8927 2.8927 2.9463 2.9463 3.0645 3.0645 3.1457 3.1457 3.2448 3.2448 3.4820 3.4820 3.5517 3.5517 3.9487 3.9487 4.1005 4.1005 7.5642 7.5642 8.0095 8.0095 8.4657 8.4657 8.5980 8.5980 9.8312 9.8312 k = 0.2137 0.3701 0.4304 ( 13410 PWs) bands (ev): -15.2563 -15.2563 -8.3014 -8.3014 -7.9772 -7.9772 -4.0751 -4.0751 -2.7096 -2.7096 -2.6715 -2.6715 -0.0882 -0.0882 0.0171 0.0171 0.1398 0.1398 1.1982 1.1982 1.3013 1.3013 1.3424 1.3424 2.0783 2.0783 2.3337 2.3337 2.5165 2.5165 2.5990 2.5990 2.7592 2.7592 2.8209 2.8209 2.8939 2.8939 2.9522 2.9522 3.0756 3.0756 3.1484 3.1484 3.2435 3.2435 3.4767 3.4767 3.5421 3.5421 3.9652 3.9652 4.1286 4.1286 7.5395 7.5395 7.9475 7.9475 8.4445 8.4445 8.5626 8.5626 9.7590 9.7590 k = 0.2051 0.3553 0.4304 ( 13398 PWs) bands (ev): -15.2567 -15.2567 -8.3139 -8.3139 -7.9645 -7.9645 -4.0721 -4.0721 -2.7034 -2.7034 -2.6659 -2.6659 -0.1039 -0.1039 0.0011 0.0011 0.1276 0.1276 1.2186 1.2186 1.3248 1.3248 1.3675 1.3675 2.0620 2.0620 2.3273 2.3273 2.4964 2.4964 2.5840 2.5840 2.7607 2.7607 2.8246 2.8246 2.8982 2.8982 2.9596 2.9596 3.0865 3.0865 3.1503 3.1503 3.2420 3.2420 3.4712 3.4712 3.5310 3.5310 3.9834 3.9834 4.1579 4.1579 7.5170 7.5170 7.8850 7.8850 8.4236 8.4236 8.5301 8.5301 9.6715 9.6715 k = 0.1966 0.3405 0.4304 ( 13402 PWs) bands (ev): -15.2571 -15.2571 -8.3262 -8.3262 -7.9520 -7.9520 -4.0691 -4.0691 -2.6969 -2.6969 -2.6604 -2.6604 -0.1190 -0.1190 -0.0135 -0.0135 0.1160 0.1160 1.2379 1.2379 1.3485 1.3485 1.3928 1.3928 2.0458 2.0458 2.3208 2.3208 2.4753 2.4753 2.5700 2.5700 2.7611 2.7611 2.8251 2.8251 2.9042 2.9042 2.9685 2.9685 3.0968 3.0968 3.1515 3.1515 3.2404 3.2404 3.4653 3.4653 3.5191 3.5191 4.0035 4.0035 4.1882 4.1882 7.4967 7.4967 7.8223 7.8223 8.4035 8.4035 8.4999 8.4999 9.5756 9.5756 k = 0.1880 0.3257 0.4304 ( 13428 PWs) bands (ev): -15.2576 -15.2576 -8.3384 -8.3384 -7.9394 -7.9394 -4.0661 -4.0661 -2.6903 -2.6903 -2.6550 -2.6550 -0.1335 -0.1335 -0.0266 -0.0266 0.1051 0.1051 1.2560 1.2560 1.3724 1.3724 1.4183 1.4183 2.0298 2.0298 2.3142 2.3142 2.4538 2.4538 2.5568 2.5568 2.7604 2.7604 2.8235 2.8235 2.9103 2.9103 2.9786 2.9786 3.1059 3.1059 3.1521 3.1521 3.2390 3.2390 3.4577 3.4577 3.5078 3.5078 4.0255 4.0255 4.2194 4.2194 7.4787 7.4787 7.7596 7.7596 8.3845 8.3845 8.4708 8.4708 9.4775 9.4775 k = 0.1795 0.3109 0.4304 ( 13424 PWs) bands (ev): -15.2581 -15.2581 -8.3504 -8.3504 -7.9271 -7.9271 -4.0631 -4.0631 -2.6836 -2.6836 -2.6497 -2.6497 -0.1472 -0.1472 -0.0379 -0.0379 0.0948 0.0948 1.2729 1.2729 1.3964 1.3964 1.4437 1.4437 2.0141 2.0141 2.3074 2.3074 2.4322 2.4322 2.5443 2.5443 2.7590 2.7590 2.8207 2.8207 2.9158 2.9158 2.9890 2.9890 3.1133 3.1133 3.1527 3.1527 3.2378 3.2378 3.4469 3.4469 3.4993 3.4993 4.0497 4.0497 4.2512 4.2512 7.4629 7.4629 7.6973 7.6973 8.3670 8.3670 8.4414 8.4414 9.3821 9.3821 k = 0.1709 0.2961 0.4304 ( 13420 PWs) bands (ev): -15.2585 -15.2585 -8.3622 -8.3622 -7.9148 -7.9148 -4.0601 -4.0601 -2.6770 -2.6770 -2.6447 -2.6447 -0.1601 -0.1601 -0.0474 -0.0474 0.0851 0.0851 1.2883 1.2883 1.4203 1.4203 1.4689 1.4689 1.9986 1.9986 2.3004 2.3004 2.4110 2.4110 2.5322 2.5322 2.7570 2.7570 2.8172 2.8172 2.9203 2.9203 2.9991 2.9991 3.1179 3.1179 3.1540 3.1540 3.2367 3.2367 3.4319 3.4319 3.4951 3.4951 4.0762 4.0762 4.2836 4.2836 7.4492 7.4492 7.6357 7.6357 8.3513 8.3513 8.4094 8.4094 9.2936 9.2936 k = 0.1624 0.2813 0.4304 ( 13416 PWs) bands (ev): -15.2590 -15.2590 -8.3737 -8.3737 -7.9028 -7.9028 -4.0572 -4.0572 -2.6704 -2.6704 -2.6398 -2.6398 -0.1720 -0.1720 -0.0550 -0.0550 0.0761 0.0761 1.3024 1.3024 1.4441 1.4441 1.4938 1.4938 1.9835 1.9835 2.2933 2.2933 2.3903 2.3903 2.5204 2.5204 2.7544 2.7544 2.8132 2.8132 2.9240 2.9240 3.0079 3.0079 3.1195 3.1195 3.1563 3.1563 3.2355 3.2355 3.4133 3.4133 3.4951 3.4951 4.1049 4.1049 4.3163 4.3163 7.4374 7.4374 7.5748 7.5748 8.3374 8.3374 8.3730 8.3730 9.2159 9.2159 k = 0.1538 0.2665 0.4304 ( 13424 PWs) bands (ev): -15.2595 -15.2595 -8.3849 -8.3849 -7.8910 -7.8910 -4.0543 -4.0543 -2.6640 -2.6640 -2.6352 -2.6352 -0.1829 -0.1829 -0.0608 -0.0608 0.0678 0.0678 1.3151 1.3151 1.4678 1.4678 1.5184 1.5184 1.9687 1.9687 2.2860 2.2860 2.3704 2.3704 2.5088 2.5088 2.7514 2.7514 2.8089 2.8089 2.9270 2.9270 3.0149 3.0149 3.1184 3.1184 3.1594 3.1594 3.2341 3.2341 3.3925 3.3925 3.4986 3.4986 4.1360 4.1360 4.3492 4.3492 7.4272 7.4272 7.5151 7.5151 8.3197 8.3197 8.3354 8.3354 9.1522 9.1522 k = 0.1453 0.2517 0.4304 ( 13416 PWs) bands (ev): -15.2600 -15.2600 -8.3957 -8.3957 -7.8796 -7.8796 -4.0516 -4.0516 -2.6578 -2.6578 -2.6309 -2.6309 -0.1928 -0.1928 -0.0646 -0.0646 0.0600 0.0600 1.3262 1.3262 1.4913 1.4913 1.5424 1.5424 1.9544 1.9544 2.2785 2.2785 2.3512 2.3512 2.4975 2.4975 2.7480 2.7480 2.8043 2.8043 2.9294 2.9294 3.0198 3.0198 3.1157 3.1157 3.1623 3.1623 3.2324 3.2324 3.3708 3.3708 3.5047 3.5047 4.1694 4.1694 4.3819 4.3819 7.4178 7.4178 7.4573 7.4573 8.2717 8.2717 8.3220 8.3220 9.1050 9.1050 k = 0.1368 0.2369 0.4304 ( 13416 PWs) bands (ev): -15.2605 -15.2605 -8.4062 -8.4062 -7.8684 -7.8684 -4.0490 -4.0490 -2.6518 -2.6518 -2.6268 -2.6268 -0.2017 -0.2017 -0.0665 -0.0665 0.0529 0.0529 1.3358 1.3358 1.5147 1.5147 1.5660 1.5660 1.9406 1.9406 2.2707 2.2707 2.3329 2.3329 2.4863 2.4863 2.7442 2.7442 2.7993 2.7993 2.9313 2.9313 3.0224 3.0224 3.1120 3.1120 3.1640 3.1640 3.2305 3.2305 3.3495 3.3495 3.5128 3.5128 4.2050 4.2050 4.4144 4.4144 7.3943 7.3943 7.4160 7.4160 8.2095 8.2095 8.3168 8.3168 9.0750 9.0750 k = 0.1282 0.2221 0.4304 ( 13424 PWs) bands (ev): -15.2610 -15.2610 -8.4162 -8.4162 -7.8577 -7.8577 -4.0465 -4.0465 -2.6462 -2.6462 -2.6230 -2.6230 -0.2095 -0.2095 -0.0667 -0.0667 0.0464 0.0464 1.3438 1.3438 1.5380 1.5380 1.5890 1.5890 1.9273 1.9273 2.2626 2.2626 2.3154 2.3154 2.4752 2.4752 2.7401 2.7401 2.7941 2.7941 2.9326 2.9326 3.0228 3.0228 3.1080 3.1080 3.1634 3.1634 3.2286 3.2286 3.3297 3.3297 3.5225 3.5225 4.2427 4.2427 4.4465 4.4465 7.3407 7.3407 7.4071 7.4071 8.1387 8.1387 8.3152 8.3152 9.0613 9.0613 k = 0.1197 0.2073 0.4304 ( 13416 PWs) bands (ev): -15.2615 -15.2615 -8.4258 -8.4258 -7.8474 -7.8474 -4.0442 -4.0442 -2.6408 -2.6408 -2.6196 -2.6196 -0.2164 -0.2164 -0.0652 -0.0652 0.0405 0.0405 1.3502 1.3502 1.5611 1.5611 1.6114 1.6114 1.9146 1.9146 2.2541 2.2541 2.2987 2.2987 2.4643 2.4643 2.7358 2.7358 2.7884 2.7884 2.9334 2.9334 3.0212 3.0212 3.1038 3.1038 3.1594 3.1594 3.2275 3.2275 3.3126 3.3126 3.5332 3.5332 4.2823 4.2823 4.4779 4.4779 7.2863 7.2863 7.4012 7.4012 8.0620 8.0620 8.3170 8.3170 9.0621 9.0621 k = 0.1111 0.1925 0.4304 ( 13418 PWs) bands (ev): -15.2619 -15.2619 -8.4348 -8.4348 -7.8375 -7.8375 -4.0420 -4.0420 -2.6358 -2.6358 -2.6164 -2.6164 -0.2223 -0.2223 -0.0621 -0.0621 0.0352 0.0352 1.3550 1.3550 1.5840 1.5840 1.6333 1.6333 1.9025 1.9025 2.2453 2.2453 2.2828 2.2828 2.4535 2.4535 2.7313 2.7313 2.7824 2.7824 2.9335 2.9335 3.0181 3.0181 3.0994 3.0994 3.1513 3.1513 3.2277 3.2277 3.2987 3.2987 3.5444 3.5444 4.3234 4.3234 4.5084 4.5084 7.2330 7.2330 7.3961 7.3961 7.9821 7.9821 8.3221 8.3221 9.0750 9.0750 k = 0.1026 0.1776 0.4304 ( 13428 PWs) bands (ev): -15.2624 -15.2624 -8.4433 -8.4433 -7.8282 -7.8282 -4.0400 -4.0400 -2.6311 -2.6311 -2.6136 -2.6136 -0.2273 -0.2273 -0.0577 -0.0577 0.0305 0.0305 1.3582 1.3582 1.6068 1.6068 1.6545 1.6545 1.8912 1.8912 2.2361 2.2361 2.2677 2.2677 2.4428 2.4428 2.7267 2.7267 2.7759 2.7759 2.9329 2.9329 3.0141 3.0141 3.0948 3.0948 3.1395 3.1395 3.2293 3.2293 3.2883 3.2883 3.5558 3.5558 4.3656 4.3656 4.5378 4.5378 7.1811 7.1811 7.3914 7.3914 7.9014 7.9014 8.3302 8.3302 9.0976 9.0976 k = 0.0940 0.1628 0.4304 ( 13432 PWs) bands (ev): -15.2628 -15.2628 -8.4513 -8.4513 -7.8195 -7.8195 -4.0382 -4.0382 -2.6269 -2.6269 -2.6111 -2.6111 -0.2316 -0.2316 -0.0522 -0.0522 0.0263 0.0263 1.3600 1.3600 1.6293 1.6293 1.6751 1.6751 1.8806 1.8806 2.2266 2.2266 2.2533 2.2533 2.4322 2.4322 2.7219 2.7219 2.7691 2.7691 2.9316 2.9316 3.0095 3.0095 3.0896 3.0896 3.1257 3.1257 3.2321 3.2321 3.2808 3.2808 3.5671 3.5671 4.4087 4.4087 4.5659 4.5659 7.1305 7.1305 7.3869 7.3869 7.8221 7.8221 8.3412 8.3412 9.1279 9.1279 k = 0.0855 0.1480 0.4304 ( 13440 PWs) bands (ev): -15.2632 -15.2632 -8.4587 -8.4587 -7.8113 -7.8113 -4.0366 -4.0366 -2.6230 -2.6230 -2.6088 -2.6088 -0.2351 -0.2351 -0.0458 -0.0458 0.0226 0.0226 1.3604 1.3604 1.6516 1.6516 1.6951 1.6951 1.8708 1.8708 2.2167 2.2167 2.2395 2.2395 2.4219 2.4219 2.7171 2.7171 2.7618 2.7618 2.9294 2.9294 3.0051 3.0051 3.0830 3.0830 3.1123 3.1123 3.2356 3.2356 3.2756 3.2756 3.5780 3.5780 4.4519 4.4519 4.5925 4.5925 7.0814 7.0814 7.3826 7.3826 7.7461 7.7461 8.3545 8.3545 9.1641 9.1641 k = 0.0769 0.1332 0.4304 ( 13434 PWs) bands (ev): -15.2636 -15.2636 -8.4654 -8.4654 -7.8038 -7.8038 -4.0351 -4.0351 -2.6196 -2.6196 -2.6069 -2.6069 -0.2379 -0.2379 -0.0388 -0.0388 0.0195 0.0195 1.3597 1.3597 1.6734 1.6734 1.7143 1.7143 1.8618 1.8618 2.2065 2.2065 2.2263 2.2263 2.4118 2.4118 2.7124 2.7124 2.7542 2.7542 2.9264 2.9264 3.0009 3.0009 3.0739 3.0739 3.1016 3.1016 3.2395 3.2395 3.2720 3.2720 3.5883 3.5883 4.4947 4.4947 4.6173 4.6173 7.0340 7.0340 7.3784 7.3784 7.6748 7.6748 8.3696 8.3696 9.2044 9.2044 k = 0.0684 0.1184 0.4304 ( 13422 PWs) bands (ev): -15.2639 -15.2639 -8.4715 -8.4715 -7.7970 -7.7970 -4.0338 -4.0338 -2.6165 -2.6165 -2.6051 -2.6051 -0.2402 -0.2402 -0.0315 -0.0315 0.0169 0.0169 1.3581 1.3581 1.6946 1.6946 1.7327 1.7327 1.8537 1.8537 2.1961 2.1961 2.2138 2.2138 2.4021 2.4021 2.7077 2.7077 2.7464 2.7464 2.9227 2.9227 2.9974 2.9974 3.0625 3.0625 3.0944 3.0944 3.2434 3.2434 3.2696 3.2696 3.5978 3.5978 4.5364 4.5364 4.6402 4.6402 6.9883 6.9883 7.3743 7.3743 7.6095 7.6095 8.3860 8.3860 9.2473 9.2473 k = 0.0598 0.1036 0.4304 ( 13418 PWs) bands (ev): -15.2643 -15.2643 -8.4769 -8.4769 -7.7909 -7.7909 -4.0326 -4.0326 -2.6139 -2.6139 -2.6037 -2.6037 -0.2420 -0.2420 -0.0242 -0.0242 0.0147 0.0147 1.3557 1.3557 1.7150 1.7150 1.7501 1.7501 1.8465 1.8465 2.1856 2.1856 2.2019 2.2019 2.3929 2.3929 2.7033 2.7033 2.7387 2.7387 2.9185 2.9185 2.9945 2.9945 3.0507 3.0507 3.0897 3.0897 3.2472 3.2472 3.2679 3.2679 3.6063 3.6063 4.5763 4.5763 4.6610 4.6610 6.9450 6.9450 7.3703 7.3703 7.5510 7.5510 8.4029 8.4029 9.2911 9.2911 k = 0.0513 0.0888 0.4304 ( 13406 PWs) bands (ev): -15.2645 -15.2645 -8.4817 -8.4817 -7.7856 -7.7856 -4.0316 -4.0316 -2.6117 -2.6117 -2.6024 -2.6024 -0.2434 -0.2434 -0.0171 -0.0171 0.0131 0.0131 1.3529 1.3529 1.7341 1.7341 1.7663 1.7663 1.8402 1.8402 2.1753 2.1753 2.1908 2.1908 2.3843 2.3843 2.6991 2.6991 2.7311 2.7311 2.9142 2.9142 2.9923 2.9923 3.0398 3.0398 3.0863 3.0863 3.2505 3.2505 3.2669 3.2669 3.6139 3.6139 4.6134 4.6134 4.6795 4.6795 6.9046 6.9046 7.3664 7.3664 7.5001 7.5001 8.4196 8.4196 9.3343 9.3343 k = 0.0427 0.0740 0.4304 ( 13398 PWs) bands (ev): -15.2648 -15.2648 -8.4857 -8.4857 -7.7810 -7.7810 -4.0308 -4.0308 -2.6098 -2.6098 -2.6013 -2.6013 -0.2445 -0.2445 -0.0108 -0.0108 0.0120 0.0120 1.3500 1.3500 1.7516 1.7516 1.7812 1.7812 1.8349 1.8349 2.1653 2.1653 2.1807 2.1807 2.3765 2.3765 2.6953 2.6953 2.7242 2.7242 2.9100 2.9100 2.9906 2.9906 3.0304 3.0304 3.0838 3.0838 3.2534 3.2534 3.2663 3.2663 3.6204 3.6204 4.6470 4.6470 4.6955 4.6955 6.8679 6.8679 7.3626 7.3626 7.4572 7.4572 8.4353 8.4353 9.3751 9.3751 k = 0.0342 0.0592 0.4304 ( 13396 PWs) bands (ev): -15.2650 -15.2650 -8.4891 -8.4891 -7.7772 -7.7772 -4.0302 -4.0302 -2.6084 -2.6084 -2.6005 -2.6005 -0.2453 -0.2453 -0.0055 -0.0055 0.0115 0.0115 1.3471 1.3471 1.7670 1.7670 1.7942 1.7942 1.8306 1.8306 2.1560 2.1560 2.1718 2.1718 2.3698 2.3698 2.6920 2.6920 2.7181 2.7181 2.9062 2.9062 2.9893 2.9893 3.0229 3.0229 3.0818 3.0818 3.2557 3.2557 3.2661 3.2661 3.6258 3.6258 4.6760 4.6760 4.7089 4.7089 6.8360 6.8360 7.3587 7.3587 7.4228 7.4228 8.4494 8.4494 9.4117 9.4117 k = 0.0256 0.0444 0.4304 ( 13396 PWs) bands (ev): -15.2651 -15.2651 -8.4917 -8.4917 -7.7742 -7.7742 -4.0296 -4.0296 -2.6073 -2.6073 -2.5998 -2.5998 -0.2459 -0.2459 -0.0017 -0.0017 0.0117 0.0117 1.3446 1.3446 1.7798 1.7798 1.8048 1.8048 1.8277 1.8277 2.1479 2.1479 2.1644 2.1644 2.3643 2.3643 2.6891 2.6891 2.7131 2.7131 2.9031 2.9031 2.9883 2.9883 3.0171 3.0171 3.0803 3.0803 3.2574 3.2574 3.2662 3.2662 3.6301 3.6301 4.6995 4.6995 4.7197 4.7197 6.8097 6.8097 7.3544 7.3544 7.3974 7.3974 8.4611 8.4611 9.4425 9.4425 k = 0.0171 0.0296 0.4304 ( 13390 PWs) bands (ev): -15.2652 -15.2652 -8.4935 -8.4935 -7.7721 -7.7721 -4.0293 -4.0293 -2.6065 -2.6065 -2.5993 -2.5993 -0.2462 -0.2462 0.0005 0.0005 0.0125 0.0125 1.3426 1.3426 1.7896 1.7896 1.8115 1.8115 1.8267 1.8267 2.1415 2.1415 2.1588 2.1588 2.3603 2.3603 2.6869 2.6869 2.7095 2.7095 2.9008 2.9008 2.9877 2.9877 3.0132 3.0132 3.0793 3.0793 3.2585 3.2585 3.2665 3.2665 3.6331 3.6331 4.7164 4.7164 4.7280 4.7280 6.7901 6.7901 7.3493 7.3493 7.3813 7.3813 8.4699 8.4699 9.4658 9.4658 k = 0.0085 0.0148 0.4304 ( 13378 PWs) bands (ev): -15.2653 -15.2653 -8.4946 -8.4946 -7.7708 -7.7708 -4.0291 -4.0291 -2.6060 -2.6060 -2.5990 -2.5990 -0.2464 -0.2464 0.0015 0.0015 0.0134 0.0134 1.3414 1.3414 1.7959 1.7959 1.8139 1.8139 1.8278 1.8278 2.1373 2.1373 2.1553 2.1553 2.3578 2.3578 2.6856 2.6856 2.7073 2.7073 2.8993 2.8993 2.9873 2.9873 3.0108 3.0108 3.0787 3.0787 3.2590 3.2590 3.2668 3.2668 3.6349 3.6349 4.7258 4.7258 4.7340 4.7340 6.7780 6.7780 7.3445 7.3445 7.3734 7.3734 8.4754 8.4754 9.4803 9.4803 k = 0.0000 0.0000 0.4304 ( 13402 PWs) bands (ev): -15.2653 -15.2653 -8.4950 -8.4950 -7.7704 -7.7704 -4.0290 -4.0290 -2.6059 -2.6059 -2.5989 -2.5989 -0.2465 -0.2465 0.0018 0.0018 0.0138 0.0138 1.3409 1.3409 1.7981 1.7981 1.8142 1.8142 1.8287 1.8287 2.1359 2.1359 2.1542 2.1542 2.3569 2.3569 2.6851 2.6851 2.7066 2.7066 2.8989 2.8989 2.9871 2.9871 3.0101 3.0101 3.0785 3.0785 3.2592 3.2592 3.2669 3.2669 3.6355 3.6355 4.7285 4.7285 4.7364 4.7364 6.7739 6.7739 7.3425 7.3425 7.3712 7.3712 8.4772 8.4772 9.4853 9.4853 k = 0.5000 0.2887 0.4304 ( 13460 PWs) bands (ev): -15.2548 -15.2548 -8.2378 -8.2378 -8.0429 -8.0429 -4.0833 -4.0833 -2.7540 -2.7540 -2.6469 -2.6469 -0.1836 -0.1836 0.0703 0.0703 0.2994 0.2994 0.9066 0.9066 1.3021 1.3021 1.4402 1.4402 2.0678 2.0678 2.5197 2.5197 2.6318 2.6318 2.7021 2.7021 2.7042 2.7042 2.7568 2.7568 2.8556 2.8556 2.9298 2.9298 2.9725 2.9725 3.0450 3.0450 3.2508 3.2508 3.4533 3.4533 3.5632 3.5632 3.9466 3.9466 4.2186 4.2186 7.1493 7.1493 8.1569 8.1569 8.4579 8.4579 9.1327 9.1327 9.3508 9.3508 k = 0.5000 0.2887 0.4131 ( 13452 PWs) bands (ev): -15.2548 -15.2548 -8.2380 -8.2380 -8.0427 -8.0427 -4.0833 -4.0833 -2.7539 -2.7539 -2.6470 -2.6470 -0.1829 -0.1829 0.0707 0.0707 0.2987 0.2987 0.9070 0.9070 1.3015 1.3015 1.4397 1.4397 2.0678 2.0678 2.5197 2.5197 2.6318 2.6318 2.6994 2.6994 2.7067 2.7067 2.7568 2.7568 2.8557 2.8557 2.9299 2.9299 2.9724 2.9724 3.0451 3.0451 3.2508 3.2508 3.4532 3.4532 3.5630 3.5630 3.9465 3.9465 4.2189 4.2189 7.1449 7.1449 8.1577 8.1577 8.4544 8.4544 9.1331 9.1331 9.3587 9.3587 k = 0.5000 0.2887 0.3959 ( 13446 PWs) bands (ev): -15.2548 -15.2548 -8.2387 -8.2387 -8.0421 -8.0421 -4.0832 -4.0832 -2.7534 -2.7534 -2.6472 -2.6472 -0.1807 -0.1807 0.0721 0.0721 0.2967 0.2967 0.9083 0.9083 1.2995 1.2995 1.4381 1.4381 2.0679 2.0679 2.5198 2.5198 2.6318 2.6318 2.6956 2.6956 2.7098 2.7098 2.7565 2.7565 2.8562 2.8562 2.9302 2.9302 2.9723 2.9723 3.0451 3.0451 3.2508 3.2508 3.4528 3.4528 3.5626 3.5626 3.9464 3.9464 4.2198 4.2198 7.1319 7.1319 8.1602 8.1602 8.4442 8.4442 9.1342 9.1342 9.3817 9.3817 k = 0.5000 0.2887 0.3787 ( 13446 PWs) bands (ev): -15.2549 -15.2549 -8.2397 -8.2397 -8.0411 -8.0411 -4.0830 -4.0830 -2.7526 -2.7526 -2.6476 -2.6476 -0.1770 -0.1770 0.0743 0.0743 0.2935 0.2935 0.9104 0.9104 1.2961 1.2961 1.4356 1.4356 2.0682 2.0682 2.5200 2.5200 2.6318 2.6318 2.6916 2.6916 2.7127 2.7127 2.7562 2.7562 2.8571 2.8571 2.9306 2.9306 2.9721 2.9721 3.0453 3.0453 3.2508 3.2508 3.4521 3.4521 3.5619 3.5619 3.9461 3.9461 4.2212 4.2212 7.1109 7.1109 8.1639 8.1639 8.4288 8.4288 9.1361 9.1361 9.4180 9.4180 k = 0.5000 0.2887 0.3615 ( 13440 PWs) bands (ev): -15.2549 -15.2549 -8.2411 -8.2411 -8.0397 -8.0397 -4.0828 -4.0828 -2.7515 -2.7515 -2.6482 -2.6482 -0.1719 -0.1719 0.0773 0.0773 0.2890 0.2890 0.9132 0.9132 1.2915 1.2915 1.4320 1.4320 2.0685 2.0685 2.5202 2.5202 2.6318 2.6318 2.6873 2.6873 2.7156 2.7156 2.7558 2.7558 2.8582 2.8582 2.9312 2.9312 2.9718 2.9718 3.0454 3.0454 3.2509 3.2509 3.4511 3.4511 3.5610 3.5610 3.9458 3.9458 4.2231 4.2231 7.0827 7.0827 8.1686 8.1686 8.4097 8.4097 9.1388 9.1388 9.4651 9.4651 k = 0.5000 0.2887 0.3443 ( 13426 PWs) bands (ev): -15.2549 -15.2549 -8.2429 -8.2429 -8.0379 -8.0379 -4.0825 -4.0825 -2.7501 -2.7501 -2.6489 -2.6489 -0.1654 -0.1654 0.0811 0.0811 0.2834 0.2834 0.9167 0.9167 1.2857 1.2857 1.4276 1.4276 2.0689 2.0689 2.5205 2.5205 2.6317 2.6317 2.6828 2.6828 2.7183 2.7183 2.7553 2.7553 2.8596 2.8596 2.9319 2.9319 2.9714 2.9714 3.0457 3.0457 3.2509 3.2509 3.4499 3.4499 3.5599 3.5599 3.9453 3.9453 4.2256 4.2256 7.0482 7.0482 8.1735 8.1735 8.3889 8.3889 9.1421 9.1421 9.5199 9.5199 k = 0.5000 0.2887 0.3271 ( 13432 PWs) bands (ev): -15.2549 -15.2549 -8.2450 -8.2450 -8.0359 -8.0359 -4.0822 -4.0822 -2.7484 -2.7484 -2.6497 -2.6497 -0.1576 -0.1576 0.0857 0.0857 0.2768 0.2768 0.9209 0.9209 1.2786 1.2786 1.4222 1.4222 2.0693 2.0693 2.5209 2.5209 2.6314 2.6314 2.6782 2.6782 2.7209 2.7209 2.7547 2.7547 2.8613 2.8613 2.9328 2.9328 2.9709 2.9709 3.0459 3.0459 3.2509 3.2509 3.4485 3.4485 3.5585 3.5585 3.9446 3.9446 4.2285 4.2285 7.0086 7.0086 8.1781 8.1781 8.3680 8.3680 9.1462 9.1462 9.5796 9.5796 k = 0.5000 0.2887 0.3099 ( 13436 PWs) bands (ev): -15.2549 -15.2549 -8.2473 -8.2473 -8.0337 -8.0337 -4.0819 -4.0819 -2.7465 -2.7465 -2.6507 -2.6507 -0.1486 -0.1486 0.0910 0.0910 0.2694 0.2694 0.9256 0.9256 1.2703 1.2703 1.4161 1.4161 2.0699 2.0699 2.5213 2.5213 2.6310 2.6310 2.6735 2.6735 2.7234 2.7234 2.7542 2.7542 2.8633 2.8633 2.9338 2.9338 2.9703 2.9703 3.0462 3.0462 3.2510 3.2510 3.4470 3.4470 3.5570 3.5570 3.9438 3.9438 4.2318 4.2318 6.9649 6.9649 8.1811 8.1811 8.3486 8.3486 9.1510 9.1510 9.6411 9.6411 k = 0.5000 0.2887 0.2926 ( 13448 PWs) bands (ev): -15.2549 -15.2549 -8.2498 -8.2498 -8.0312 -8.0312 -4.0814 -4.0814 -2.7444 -2.7444 -2.6517 -2.6517 -0.1385 -0.1385 0.0969 0.0969 0.2612 0.2612 0.9308 0.9308 1.2610 1.2610 1.4093 1.4093 2.0705 2.0705 2.5218 2.5218 2.6301 2.6301 2.6690 2.6690 2.7257 2.7257 2.7537 2.7537 2.8655 2.8655 2.9350 2.9350 2.9697 2.9697 3.0466 3.0466 3.2510 3.2510 3.4453 3.4453 3.5554 3.5554 3.9428 3.9428 4.2355 4.2355 6.9184 6.9184 8.1817 8.1817 8.3323 8.3323 9.1566 9.1566 9.7019 9.7019 k = 0.5000 0.2887 0.2754 ( 13444 PWs) bands (ev): -15.2550 -15.2550 -8.2525 -8.2525 -8.0286 -8.0286 -4.0810 -4.0810 -2.7421 -2.7421 -2.6529 -2.6529 -0.1274 -0.1274 0.1034 0.1034 0.2525 0.2525 0.9363 0.9363 1.2506 1.2506 1.4019 1.4019 2.0711 2.0711 2.5223 2.5223 2.6288 2.6288 2.6647 2.6647 2.7280 2.7280 2.7532 2.7532 2.8679 2.8679 2.9362 2.9362 2.9689 2.9689 3.0469 3.0469 3.2511 3.2511 3.4436 3.4436 3.5537 3.5537 3.9415 3.9415 4.2394 4.2394 6.8700 6.8700 8.1788 8.1788 8.3202 8.3202 9.1629 9.1629 9.7598 9.7598 k = 0.5000 0.2887 0.2582 ( 13440 PWs) bands (ev): -15.2550 -15.2550 -8.2552 -8.2552 -8.0259 -8.0259 -4.0805 -4.0805 -2.7397 -2.7397 -2.6540 -2.6540 -0.1155 -0.1155 0.1103 0.1103 0.2433 0.2433 0.9421 0.9421 1.2394 1.2394 1.3940 1.3940 2.0717 2.0717 2.5229 2.5229 2.6267 2.6267 2.6610 2.6610 2.7301 2.7301 2.7529 2.7529 2.8705 2.8705 2.9376 2.9376 2.9681 2.9681 3.0474 3.0474 3.2512 3.2512 3.4418 3.4418 3.5519 3.5519 3.9401 3.9401 4.2435 4.2435 6.8207 6.8207 8.1720 8.1720 8.3128 8.3128 9.1700 9.1700 9.8136 9.8136 k = 0.5000 0.2887 0.2410 ( 13414 PWs) bands (ev): -15.2550 -15.2550 -8.2580 -8.2580 -8.0232 -8.0232 -4.0801 -4.0801 -2.7371 -2.7371 -2.6553 -2.6553 -0.1028 -0.1028 0.1175 0.1175 0.2339 0.2339 0.9481 0.9481 1.2273 1.2273 1.3857 1.3857 2.0724 2.0724 2.5236 2.5236 2.6239 2.6239 2.6580 2.6580 2.7319 2.7319 2.7528 2.7528 2.8732 2.8732 2.9390 2.9390 2.9672 2.9672 3.0478 3.0478 3.2512 3.2512 3.4400 3.4400 3.5501 3.5501 3.9385 3.9385 4.2478 4.2478 6.7713 6.7713 8.1619 8.1619 8.3093 8.3093 9.1778 9.1778 9.8629 9.8629 k = 0.5000 0.2887 0.2238 ( 13414 PWs) bands (ev): -15.2551 -15.2551 -8.2608 -8.2608 -8.0205 -8.0205 -4.0796 -4.0796 -2.7344 -2.7344 -2.6565 -2.6565 -0.0896 -0.0896 0.1250 0.1250 0.2243 0.2243 0.9543 0.9543 1.2146 1.2146 1.3771 1.3771 2.0731 2.0731 2.5243 2.5243 2.6202 2.6202 2.6557 2.6557 2.7335 2.7335 2.7529 2.7529 2.8761 2.8761 2.9405 2.9405 2.9662 2.9662 3.0482 3.0482 3.2513 3.2513 3.4382 3.4382 3.5483 3.5483 3.9366 3.9366 4.2522 4.2522 6.7226 6.7226 8.1498 8.1498 8.3085 8.3085 9.1863 9.1863 9.9079 9.9079 k = 0.5000 0.2887 0.2066 ( 13422 PWs) bands (ev): -15.2551 -15.2551 -8.2636 -8.2636 -8.0178 -8.0178 -4.0791 -4.0791 -2.7318 -2.7318 -2.6577 -2.6577 -0.0761 -0.0761 0.1326 0.1326 0.2149 0.2149 0.9605 0.9605 1.2013 1.2013 1.3684 1.3684 2.0738 2.0738 2.5252 2.5252 2.6158 2.6158 2.6541 2.6541 2.7347 2.7347 2.7533 2.7533 2.8792 2.8792 2.9420 2.9420 2.9652 2.9652 3.0487 3.0487 3.2514 3.2514 3.4364 3.4364 3.5466 3.5466 3.9347 3.9347 4.2566 4.2566 6.6752 6.6752 8.1367 8.1367 8.3093 8.3093 9.1954 9.1954 9.9495 9.9495 k = 0.5000 0.2887 0.1894 ( 13428 PWs) bands (ev): -15.2551 -15.2551 -8.2662 -8.2662 -8.0152 -8.0152 -4.0786 -4.0786 -2.7291 -2.7291 -2.6589 -2.6589 -0.0624 -0.0624 0.1401 0.1401 0.2057 0.2057 0.9668 0.9668 1.1877 1.1877 1.3597 1.3597 2.0745 2.0745 2.5261 2.5261 2.6108 2.6108 2.6530 2.6530 2.7356 2.7356 2.7540 2.7540 2.8823 2.8823 2.9435 2.9435 2.9641 2.9641 3.0492 3.0492 3.2515 3.2515 3.4347 3.4347 3.5449 3.5449 3.9326 3.9326 4.2609 4.2609 6.6298 6.6298 8.1237 8.1237 8.3104 8.3104 9.2051 9.2051 9.9888 9.9888 k = 0.5000 0.2887 0.1721 ( 13432 PWs) bands (ev): -15.2552 -15.2552 -8.2688 -8.2688 -8.0127 -8.0127 -4.0781 -4.0781 -2.7265 -2.7265 -2.6601 -2.6601 -0.0487 -0.0487 0.1472 0.1472 0.1971 0.1971 0.9730 0.9730 1.1738 1.1738 1.3512 1.3512 2.0751 2.0751 2.5271 2.5271 2.6055 2.6055 2.6524 2.6524 2.7362 2.7362 2.7549 2.7549 2.8855 2.8855 2.9449 2.9449 2.9629 2.9629 3.0497 3.0497 3.2516 3.2516 3.4330 3.4330 3.5433 3.5433 3.9304 3.9304 4.2651 4.2651 6.5868 6.5868 8.1113 8.1113 8.3115 8.3115 9.2152 9.2152 10.0264 10.0264 k = 0.5000 0.2887 0.1549 ( 13430 PWs) bands (ev): -15.2552 -15.2552 -8.2712 -8.2712 -8.0104 -8.0104 -4.0777 -4.0777 -2.7240 -2.7240 -2.6612 -2.6612 -0.0354 -0.0354 0.1537 0.1537 0.1894 0.1894 0.9793 0.9793 1.1599 1.1599 1.3429 1.3429 2.0758 2.0758 2.5283 2.5283 2.6001 2.6001 2.6520 2.6520 2.7365 2.7365 2.7560 2.7560 2.8887 2.8887 2.9464 2.9464 2.9617 2.9617 3.0502 3.0502 3.2518 3.2518 3.4315 3.4315 3.5418 3.5418 3.9283 3.9283 4.2692 4.2692 6.5466 6.5466 8.0999 8.0999 8.3120 8.3120 9.2256 9.2256 10.0632 10.0632 k = 0.5000 0.2887 0.1377 ( 13418 PWs) bands (ev): -15.2552 -15.2552 -8.2735 -8.2735 -8.0082 -8.0082 -4.0773 -4.0773 -2.7217 -2.7217 -2.6622 -2.6622 -0.0225 -0.0225 0.1584 0.1584 0.1835 0.1835 0.9854 0.9854 1.1461 1.1461 1.3350 1.3350 2.0763 2.0763 2.5296 2.5296 2.5946 2.5946 2.6518 2.6518 2.7367 2.7367 2.7572 2.7572 2.8919 2.8919 2.9478 2.9478 2.9605 2.9605 3.0506 3.0506 3.2519 3.2519 3.4300 3.4300 3.5404 3.5404 3.9261 3.9261 4.2729 4.2729 6.5097 6.5097 8.0897 8.0897 8.3119 8.3119 9.2360 9.2360 10.0989 10.0989 k = 0.5000 0.2887 0.1205 ( 13402 PWs) bands (ev): -15.2552 -15.2552 -8.2755 -8.2755 -8.0062 -8.0062 -4.0769 -4.0769 -2.7195 -2.7195 -2.6631 -2.6631 -0.0103 -0.0103 0.1596 0.1596 0.1814 0.1814 0.9915 0.9915 1.1327 1.1327 1.3277 1.3277 2.0769 2.0769 2.5310 2.5310 2.5893 2.5893 2.6518 2.6518 2.7366 2.7366 2.7585 2.7585 2.8949 2.8949 2.9491 2.9491 2.9592 2.9592 3.0511 3.0511 3.2520 3.2520 3.4287 3.4287 3.5391 3.5391 3.9241 3.9241 4.2764 4.2764 6.4764 6.4764 8.0808 8.0808 8.3111 8.3111 9.2463 9.2463 10.1327 10.1327 k = 0.5000 0.2887 0.1033 ( 13394 PWs) bands (ev): -15.2553 -15.2553 -8.2773 -8.2773 -8.0045 -8.0045 -4.0765 -4.0765 -2.7176 -2.7176 -2.6639 -2.6639 0.0009 0.0009 0.1569 0.1569 0.1834 0.1834 0.9976 0.9976 1.1198 1.1198 1.3210 1.3210 2.0774 2.0774 2.5326 2.5326 2.5842 2.5842 2.6518 2.6518 2.7365 2.7365 2.7596 2.7596 2.8978 2.8978 2.9503 2.9503 2.9580 2.9580 3.0515 3.0515 3.2521 3.2521 3.4275 3.4275 3.5380 3.5380 3.9222 3.9222 4.2795 4.2795 6.4470 6.4470 8.0732 8.0732 8.3098 8.3098 9.2561 9.2561 10.1629 10.1629 k = 0.5000 0.2887 0.0861 ( 13386 PWs) bands (ev): -15.2553 -15.2553 -8.2789 -8.2789 -8.0030 -8.0030 -4.0762 -4.0762 -2.7159 -2.7159 -2.6646 -2.6646 0.0109 0.0109 0.1525 0.1525 0.1871 0.1871 1.0035 1.0035 1.1076 1.1076 1.3151 1.3151 2.0778 2.0778 2.5342 2.5342 2.5794 2.5794 2.6518 2.6518 2.7364 2.7364 2.7607 2.7607 2.9005 2.9005 2.9513 2.9513 2.9569 2.9569 3.0519 3.0519 3.2522 3.2522 3.4264 3.4264 3.5370 3.5370 3.9205 3.9205 4.2822 4.2822 6.4217 6.4217 8.0670 8.0670 8.3082 8.3082 9.2653 9.2653 10.1868 10.1868 k = 0.5000 0.2887 0.0689 ( 13382 PWs) bands (ev): -15.2553 -15.2553 -8.2802 -8.2802 -8.0017 -8.0017 -4.0760 -4.0760 -2.7144 -2.7144 -2.6651 -2.6651 0.0195 0.0195 0.1481 0.1481 0.1909 0.1909 1.0093 1.0093 1.0964 1.0964 1.3102 1.3102 2.0781 2.0781 2.5360 2.5360 2.5750 2.5750 2.6519 2.6519 2.7363 2.7363 2.7616 2.7616 2.9029 2.9029 2.9521 2.9521 2.9559 2.9559 3.0522 3.0522 3.2523 3.2523 3.4255 3.4255 3.5362 3.5362 3.9190 3.9190 4.2844 4.2844 6.4008 6.4008 8.0620 8.0620 8.3064 8.3064 9.2734 9.2734 10.2032 10.2032 k = 0.5000 0.2887 0.0516 ( 13374 PWs) bands (ev): -15.2553 -15.2553 -8.2812 -8.2812 -8.0007 -8.0007 -4.0758 -4.0758 -2.7133 -2.7133 -2.6655 -2.6655 0.0265 0.0265 0.1444 0.1444 0.1942 0.1942 1.0149 1.0149 1.0864 1.0864 1.3062 1.3062 2.0784 2.0784 2.5377 2.5377 2.5712 2.5712 2.6519 2.6519 2.7361 2.7361 2.7623 2.7623 2.9048 2.9048 2.9526 2.9526 2.9552 2.9552 3.0524 3.0524 3.2524 3.2524 3.4248 3.4248 3.5356 3.5356 3.9179 3.9179 4.2862 4.2862 6.3843 6.3843 8.0582 8.0582 8.3048 8.3048 9.2801 9.2801 10.2127 10.2127 k = 0.5000 0.2887 0.0344 ( 13376 PWs) bands (ev): -15.2553 -15.2553 -8.2819 -8.2819 -8.0000 -8.0000 -4.0756 -4.0756 -2.7125 -2.7125 -2.6659 -2.6659 0.0317 0.0317 0.1415 0.1415 0.1967 0.1967 1.0198 1.0198 1.0782 1.0782 1.3033 1.3033 2.0786 2.0786 2.5392 2.5392 2.5681 2.5681 2.6520 2.6520 2.7360 2.7360 2.7629 2.7629 2.9063 2.9063 2.9528 2.9528 2.9548 2.9548 3.0526 3.0526 3.2524 3.2524 3.4243 3.4243 3.5352 3.5352 3.9170 3.9170 4.2875 4.2875 6.3725 6.3725 8.0556 8.0556 8.3035 8.3035 9.2851 9.2851 10.2176 10.2176 k = 0.5000 0.2887 0.0172 ( 13376 PWs) bands (ev): -15.2553 -15.2553 -8.2824 -8.2824 -7.9996 -7.9996 -4.0755 -4.0755 -2.7120 -2.7120 -2.6660 -2.6660 0.0348 0.0348 0.1398 0.1398 0.1983 0.1983 1.0235 1.0235 1.0726 1.0726 1.3016 1.3016 2.0787 2.0787 2.5403 2.5403 2.5661 2.5661 2.6520 2.6520 2.7359 2.7359 2.7632 2.7632 2.9073 2.9073 2.9526 2.9526 2.9548 2.9548 3.0528 3.0528 3.2524 3.2524 3.4240 3.4240 3.5349 3.5349 3.9165 3.9165 4.2883 4.2883 6.3653 6.3653 8.0540 8.0540 8.3026 8.3026 9.2883 9.2883 10.2197 10.2197 k = 0.5000 0.2887-0.0000 ( 13404 PWs) bands (ev): -15.2553 -15.2553 -8.2825 -8.2825 -7.9994 -7.9994 -4.0755 -4.0755 -2.7118 -2.7118 -2.6661 -2.6661 0.0359 0.0359 0.1392 0.1392 0.1988 0.1988 1.0249 1.0249 1.0705 1.0705 1.3010 1.3010 2.0788 2.0788 2.5407 2.5407 2.5654 2.5654 2.6520 2.6520 2.7359 2.7359 2.7633 2.7633 2.9076 2.9076 2.9526 2.9526 2.9548 2.9548 3.0528 3.0528 3.2524 3.2524 3.4239 3.4239 3.5348 3.5348 3.9163 3.9163 4.2886 4.2886 6.3629 6.3629 8.0535 8.0535 8.3023 8.3023 9.2893 9.2893 10.2203 10.2203 k = 0.3333 0.5774-0.0000 ( 13389 PWs) bands (ev): -15.2540 -15.2540 -8.1461 -8.1461 -8.1431 -8.1431 -4.0720 -4.0720 -2.6812 -2.6812 -2.6802 -2.6802 0.0432 0.0432 0.0575 0.0575 0.0583 0.0583 1.1476 1.1476 1.1625 1.1625 1.1858 1.1858 2.3166 2.3166 2.3236 2.3236 2.5792 2.5792 2.6632 2.6632 2.7346 2.7346 2.8667 2.8667 2.9161 2.9161 2.9738 2.9738 3.0114 3.0114 3.0899 3.0899 3.2387 3.2387 3.4643 3.4643 3.6789 3.6789 3.8051 3.8051 3.8562 3.8562 7.2800 7.2800 7.8304 7.8304 7.8307 7.8307 8.9989 8.9989 9.0069 9.0069 k = 0.3333 0.5774 0.0172 ( 13425 PWs) bands (ev): -15.2540 -15.2540 -8.1461 -8.1461 -8.1431 -8.1431 -4.0722 -4.0722 -2.6814 -2.6814 -2.6805 -2.6805 0.0434 0.0434 0.0580 0.0580 0.0591 0.0591 1.1474 1.1474 1.1622 1.1622 1.1852 1.1852 2.3166 2.3166 2.3236 2.3236 2.5790 2.5790 2.6632 2.6632 2.7345 2.7345 2.8670 2.8670 2.9161 2.9161 2.9737 2.9737 3.0114 3.0114 3.0899 3.0899 3.2385 3.2385 3.4644 3.4644 3.6785 3.6785 3.8053 3.8053 3.8565 3.8565 7.2818 7.2818 7.8324 7.8324 7.8327 7.8327 8.9994 8.9994 9.0076 9.0076 k = 0.3333 0.5774 0.0344 ( 13428 PWs) bands (ev): -15.2539 -15.2539 -8.1461 -8.1461 -8.1431 -8.1431 -4.0725 -4.0725 -2.6822 -2.6822 -2.6811 -2.6811 0.0441 0.0441 0.0593 0.0593 0.0613 0.0613 1.1470 1.1470 1.1613 1.1613 1.1835 1.1835 2.3165 2.3165 2.3236 2.3236 2.5783 2.5783 2.6633 2.6633 2.7344 2.7344 2.8679 2.8679 2.9161 2.9161 2.9735 2.9735 3.0111 3.0111 3.0899 3.0899 3.2381 3.2381 3.4649 3.4649 3.6772 3.6772 3.8059 3.8059 3.8572 3.8572 7.2873 7.2873 7.8385 7.8385 7.8387 7.8387 9.0010 9.0010 9.0095 9.0095 k = 0.3333 0.5774 0.0516 ( 13422 PWs) bands (ev): -15.2539 -15.2539 -8.1459 -8.1459 -8.1429 -8.1429 -4.0730 -4.0730 -2.6834 -2.6834 -2.6822 -2.6822 0.0452 0.0452 0.0616 0.0616 0.0650 0.0650 1.1463 1.1463 1.1599 1.1599 1.1806 1.1806 2.3162 2.3162 2.3235 2.3235 2.5771 2.5771 2.6634 2.6634 2.7342 2.7342 2.8693 2.8693 2.9162 2.9162 2.9730 2.9730 3.0108 3.0108 3.0898 3.0898 3.2373 3.2373 3.4658 3.4658 3.6750 3.6750 3.8068 3.8068 3.8585 3.8585 7.2963 7.2963 7.8485 7.8485 7.8486 7.8486 9.0036 9.0036 9.0127 9.0127 k = 0.3333 0.5774 0.0689 ( 13410 PWs) bands (ev): -15.2539 -15.2539 -8.1458 -8.1458 -8.1428 -8.1428 -4.0737 -4.0737 -2.6850 -2.6850 -2.6838 -2.6838 0.0466 0.0466 0.0648 0.0648 0.0702 0.0702 1.1453 1.1453 1.1578 1.1578 1.1766 1.1766 2.3160 2.3160 2.3235 2.3235 2.5756 2.5756 2.6635 2.6635 2.7338 2.7338 2.8712 2.8712 2.9164 2.9164 2.9724 2.9724 3.0103 3.0103 3.0899 3.0899 3.2362 3.2362 3.4669 3.4669 3.6721 3.6721 3.8081 3.8081 3.8602 3.8602 7.3089 7.3089 7.8625 7.8625 7.8626 7.8626 9.0072 9.0072 9.0171 9.0171 k = 0.3333 0.5774 0.0861 ( 13392 PWs) bands (ev): -15.2539 -15.2539 -8.1456 -8.1456 -8.1426 -8.1426 -4.0746 -4.0746 -2.6871 -2.6871 -2.6857 -2.6857 0.0483 0.0483 0.0688 0.0688 0.0769 0.0769 1.1440 1.1440 1.1553 1.1553 1.1715 1.1715 2.3156 2.3156 2.3234 2.3234 2.5736 2.5736 2.6637 2.6637 2.7334 2.7334 2.8736 2.8736 2.9165 2.9165 2.9716 2.9716 3.0096 3.0096 3.0899 3.0899 3.2349 3.2349 3.4684 3.4684 3.6684 3.6684 3.8096 3.8096 3.8624 3.8624 7.3248 7.3248 7.8803 7.8803 7.8807 7.8807 9.0117 9.0117 9.0227 9.0227 k = 0.3333 0.5774 0.1033 ( 13407 PWs) bands (ev): -15.2539 -15.2539 -8.1454 -8.1454 -8.1424 -8.1424 -4.0757 -4.0757 -2.6896 -2.6896 -2.6879 -2.6879 0.0503 0.0503 0.0736 0.0736 0.0849 0.0849 1.1424 1.1424 1.1522 1.1522 1.1654 1.1654 2.3152 2.3152 2.3233 2.3233 2.5714 2.5714 2.6639 2.6639 2.7328 2.7328 2.8764 2.8764 2.9167 2.9167 2.9707 2.9707 3.0089 3.0089 3.0900 3.0900 3.2333 3.2333 3.4702 3.4702 3.6640 3.6640 3.8115 3.8115 3.8649 3.8649 7.3441 7.3441 7.9019 7.9019 7.9027 7.9027 9.0171 9.0171 9.0294 9.0294 k = 0.3333 0.5774 0.1205 ( 13419 PWs) bands (ev): -15.2539 -15.2539 -8.1451 -8.1451 -8.1422 -8.1422 -4.0769 -4.0769 -2.6924 -2.6924 -2.6905 -2.6905 0.0525 0.0525 0.0790 0.0790 0.0943 0.0943 1.1406 1.1406 1.1486 1.1486 1.1584 1.1584 2.3147 2.3147 2.3232 2.3232 2.5689 2.5689 2.6642 2.6642 2.7321 2.7321 2.8794 2.8794 2.9169 2.9169 2.9696 2.9696 3.0081 3.0081 3.0902 3.0902 3.2316 3.2316 3.4723 3.4723 3.6590 3.6590 3.8135 3.8135 3.8677 3.8677 7.3665 7.3665 7.9273 7.9273 7.9285 7.9285 9.0233 9.0233 9.0371 9.0371 k = 0.3333 0.5774 0.1377 ( 13413 PWs) bands (ev): -15.2539 -15.2539 -8.1448 -8.1448 -8.1419 -8.1419 -4.0783 -4.0783 -2.6955 -2.6955 -2.6934 -2.6934 0.0549 0.0549 0.0851 0.0851 0.1049 0.1049 1.1383 1.1383 1.1446 1.1446 1.1507 1.1507 2.3142 2.3142 2.3231 2.3231 2.5662 2.5662 2.6644 2.6644 2.7313 2.7313 2.8826 2.8826 2.9172 2.9172 2.9684 2.9684 3.0072 3.0072 3.0905 3.0905 3.2298 3.2298 3.4746 3.4746 3.6534 3.6534 3.8157 3.8157 3.8709 3.8709 7.3920 7.3920 7.9564 7.9564 7.9580 7.9580 9.0303 9.0303 9.0457 9.0457 k = 0.3333 0.5774 0.1549 ( 13413 PWs) bands (ev): -15.2538 -15.2538 -8.1445 -8.1445 -8.1416 -8.1416 -4.0797 -4.0797 -2.6989 -2.6989 -2.6965 -2.6965 0.0575 0.0575 0.0918 0.0918 0.1165 0.1165 1.1350 1.1350 1.1403 1.1403 1.1431 1.1431 2.3137 2.3137 2.3230 2.3230 2.5635 2.5635 2.6647 2.6647 2.7304 2.7304 2.8860 2.8860 2.9174 2.9174 2.9671 2.9671 3.0063 3.0063 3.0908 3.0908 3.2278 3.2278 3.4771 3.4771 3.6474 3.6474 3.8180 3.8180 3.8742 3.8742 7.4201 7.4201 7.9891 7.9891 7.9911 7.9911 9.0379 9.0379 9.0552 9.0552 k = 0.3333 0.5774 0.1721 ( 13428 PWs) bands (ev): -15.2538 -15.2538 -8.1441 -8.1441 -8.1413 -8.1413 -4.0813 -4.0813 -2.7025 -2.7025 -2.6997 -2.6997 0.0603 0.0603 0.0989 0.0989 0.1291 0.1291 1.1287 1.1287 1.1356 1.1356 1.1375 1.1375 2.3131 2.3131 2.3230 2.3230 2.5606 2.5606 2.6650 2.6650 2.7293 2.7293 2.8893 2.8893 2.9177 2.9177 2.9657 2.9657 3.0054 3.0054 3.0913 3.0913 3.2258 3.2258 3.4799 3.4799 3.6409 3.6409 3.8204 3.8204 3.8777 3.8777 7.4508 7.4508 8.0252 8.0252 8.0277 8.0277 9.0461 9.0461 9.0653 9.0653 k = 0.3333 0.5774 0.1894 ( 13410 PWs) bands (ev): -15.2538 -15.2538 -8.1438 -8.1438 -8.1409 -8.1409 -4.0829 -4.0829 -2.7062 -2.7062 -2.7031 -2.7031 0.0632 0.0632 0.1064 0.1064 0.1424 0.1424 1.1194 1.1194 1.1306 1.1306 1.1341 1.1341 2.3125 2.3125 2.3229 2.3229 2.5577 2.5577 2.6654 2.6654 2.7282 2.7282 2.8925 2.8925 2.9180 2.9180 2.9642 2.9642 3.0045 3.0045 3.0920 3.0920 3.2237 3.2237 3.4829 3.4829 3.6342 3.6342 3.8228 3.8228 3.8813 3.8813 7.4837 7.4837 8.0645 8.0645 8.0676 8.0676 9.0548 9.0548 9.0760 9.0760 k = 0.3333 0.5774 0.2066 ( 13401 PWs) bands (ev): -15.2538 -15.2538 -8.1434 -8.1434 -8.1406 -8.1406 -4.0846 -4.0846 -2.7099 -2.7099 -2.7066 -2.7066 0.0661 0.0661 0.1141 0.1141 0.1563 0.1563 1.1089 1.1089 1.1255 1.1255 1.1314 1.1314 2.3119 2.3119 2.3228 2.3228 2.5549 2.5549 2.6657 2.6657 2.7270 2.7270 2.8957 2.8957 2.9183 2.9183 2.9626 2.9626 3.0037 3.0037 3.0927 3.0927 3.2217 3.2217 3.4860 3.4860 3.6273 3.6273 3.8252 3.8252 3.8849 3.8849 7.5185 7.5185 8.1068 8.1068 8.1104 8.1104 9.0638 9.0638 9.0873 9.0873 k = 0.3333 0.5774 0.2238 ( 13419 PWs) bands (ev): -15.2537 -15.2537 -8.1430 -8.1430 -8.1403 -8.1403 -4.0863 -4.0863 -2.7137 -2.7137 -2.7101 -2.7101 0.0691 0.0691 0.1219 0.1219 0.1706 0.1706 1.0977 1.0977 1.1203 1.1203 1.1289 1.1289 2.3113 2.3113 2.3228 2.3228 2.5521 2.5521 2.6660 2.6660 2.7257 2.7257 2.8986 2.8986 2.9187 2.9187 2.9611 2.9611 3.0029 3.0029 3.0936 3.0936 3.2198 3.2198 3.4893 3.4893 3.6203 3.6203 3.8275 3.8275 3.8885 3.8885 7.5548 7.5548 8.1517 8.1517 8.1559 8.1559 9.0732 9.0732 9.0990 9.0990 k = 0.3333 0.5774 0.2410 ( 13419 PWs) bands (ev): -15.2537 -15.2537 -8.1427 -8.1427 -8.1399 -8.1399 -4.0879 -4.0879 -2.7174 -2.7174 -2.7135 -2.7135 0.0720 0.0720 0.1297 0.1297 0.1852 0.1852 1.0863 1.0863 1.1150 1.1150 1.1265 1.1265 2.3107 2.3107 2.3227 2.3227 2.5494 2.5494 2.6664 2.6664 2.7244 2.7244 2.9012 2.9012 2.9190 2.9190 2.9595 2.9595 3.0023 3.0023 3.0945 3.0945 3.2179 3.2179 3.4926 3.4926 3.6133 3.6133 3.8297 3.8297 3.8919 3.8919 7.5921 7.5921 8.1988 8.1988 8.2036 8.2036 9.0829 9.0829 9.1110 9.1110 k = 0.3333 0.5774 0.2582 ( 13395 PWs) bands (ev): -15.2537 -15.2537 -8.1423 -8.1423 -8.1396 -8.1396 -4.0895 -4.0895 -2.7211 -2.7211 -2.7169 -2.7169 0.0749 0.0749 0.1374 0.1374 0.1997 0.1997 1.0747 1.0747 1.1097 1.1097 1.1241 1.1241 2.3101 2.3101 2.3227 2.3227 2.5469 2.5469 2.6667 2.6667 2.7231 2.7231 2.9036 2.9036 2.9194 2.9194 2.9579 2.9579 3.0017 3.0017 3.0955 3.0955 3.2161 3.2161 3.4961 3.4961 3.6063 3.6063 3.8318 3.8318 3.8953 3.8953 7.6299 7.6299 8.2476 8.2476 8.2530 8.2530 9.0927 9.0927 9.1233 9.1233 k = 0.3333 0.5774 0.2754 ( 13440 PWs) bands (ev): -15.2536 -15.2536 -8.1420 -8.1420 -8.1393 -8.1393 -4.0911 -4.0911 -2.7246 -2.7246 -2.7201 -2.7201 0.0777 0.0777 0.1448 0.1448 0.2140 0.2140 1.0632 1.0632 1.1047 1.1047 1.1219 1.1219 2.3095 2.3095 2.3227 2.3227 2.5445 2.5445 2.6670 2.6670 2.7218 2.7218 2.9057 2.9057 2.9197 2.9197 2.9564 2.9564 3.0013 3.0013 3.0965 3.0965 3.2144 3.2144 3.4995 3.4995 3.5996 3.5996 3.8337 3.8337 3.8984 3.8984 7.6677 7.6677 8.2976 8.2976 8.3035 8.3035 9.1027 9.1027 9.1358 9.1358 k = 0.3333 0.5774 0.2926 ( 13440 PWs) bands (ev): -15.2536 -15.2536 -8.1416 -8.1416 -8.1390 -8.1390 -4.0926 -4.0926 -2.7278 -2.7278 -2.7231 -2.7231 0.0804 0.0804 0.1519 0.1519 0.2278 0.2278 1.0520 1.0520 1.0998 1.0998 1.1198 1.1198 2.3090 2.3090 2.3227 2.3227 2.5423 2.5423 2.6673 2.6673 2.7205 2.7205 2.9075 2.9075 2.9201 2.9201 2.9550 2.9550 3.0009 3.0009 3.0976 3.0976 3.2129 3.2129 3.5030 3.5030 3.5930 3.5930 3.8355 3.8355 3.9013 3.9013 7.7048 7.7048 8.3478 8.3478 8.3543 8.3543 9.1129 9.1129 9.1484 9.1484 k = 0.3333 0.5774 0.3099 ( 13440 PWs) bands (ev): -15.2536 -15.2536 -8.1413 -8.1413 -8.1387 -8.1387 -4.0939 -4.0939 -2.7308 -2.7308 -2.7259 -2.7259 0.0828 0.0828 0.1585 0.1585 0.2409 0.2409 1.0413 1.0413 1.0952 1.0952 1.1178 1.1178 2.3086 2.3086 2.3227 2.3227 2.5404 2.5404 2.6676 2.6676 2.7193 2.7193 2.9089 2.9089 2.9204 2.9204 2.9537 2.9537 3.0007 3.0007 3.0986 3.0986 3.2115 3.2115 3.5064 3.5064 3.5868 3.5868 3.8371 3.8371 3.9040 3.9040 7.7404 7.7404 8.3973 8.3973 8.4043 8.4043 9.1231 9.1231 9.1612 9.1612 k = 0.3333 0.5774 0.3271 ( 13434 PWs) bands (ev): -15.2536 -15.2536 -8.1411 -8.1411 -8.1385 -8.1385 -4.0951 -4.0951 -2.7335 -2.7335 -2.7284 -2.7284 0.0850 0.0850 0.1645 0.1645 0.2530 0.2530 1.0314 1.0314 1.0911 1.0911 1.1161 1.1161 2.3081 2.3081 2.3227 2.3227 2.5387 2.5387 2.6679 2.6679 2.7182 2.7182 2.9101 2.9101 2.9208 2.9208 2.9525 2.9525 3.0005 3.0005 3.0996 3.0996 3.2103 3.2103 3.5097 3.5097 3.5810 3.5810 3.8385 3.8385 3.9063 3.9063 7.7738 7.7738 8.4450 8.4450 8.4524 8.4524 9.1333 9.1333 9.1740 9.1740 k = 0.3333 0.5774 0.3443 ( 13422 PWs) bands (ev): -15.2536 -15.2536 -8.1408 -8.1408 -8.1382 -8.1382 -4.0962 -4.0962 -2.7359 -2.7359 -2.7306 -2.7306 0.0869 0.0869 0.1697 0.1697 0.2637 0.2637 1.0225 1.0225 1.0874 1.0874 1.1145 1.1145 2.3078 2.3078 2.3227 2.3227 2.5372 2.5372 2.6681 2.6681 2.7173 2.7173 2.9111 2.9111 2.9211 2.9211 2.9514 2.9514 3.0004 3.0004 3.1004 3.1004 3.2093 3.2093 3.5128 3.5128 3.5757 3.5757 3.8396 3.8396 3.9084 3.9084 7.8041 7.8041 8.4894 8.4894 8.4972 8.4972 9.1433 9.1433 9.1867 9.1867 k = 0.3333 0.5774 0.3615 ( 13434 PWs) bands (ev): -15.2535 -15.2535 -8.1406 -8.1406 -8.1381 -8.1381 -4.0971 -4.0971 -2.7378 -2.7378 -2.7324 -2.7324 0.0885 0.0885 0.1742 0.1742 0.2730 0.2730 1.0148 1.0148 1.0843 1.0843 1.1132 1.1132 2.3075 2.3075 2.3227 2.3227 2.5359 2.5359 2.6683 2.6683 2.7165 2.7165 2.9118 2.9118 2.9213 2.9213 2.9505 2.9505 3.0003 3.0003 3.1012 3.1012 3.2085 3.2085 3.5158 3.5158 3.5710 3.5710 3.8406 3.8406 3.9101 3.9101 7.8305 7.8305 8.5290 8.5290 8.5371 8.5371 9.1530 9.1530 9.1989 9.1989 k = 0.3333 0.5774 0.3787 ( 13452 PWs) bands (ev): -15.2535 -15.2535 -8.1405 -8.1405 -8.1379 -8.1379 -4.0978 -4.0978 -2.7394 -2.7394 -2.7339 -2.7339 0.0898 0.0898 0.1777 0.1777 0.2805 0.2805 1.0086 1.0086 1.0818 1.0818 1.1122 1.1122 2.3072 2.3072 2.3227 2.3227 2.5350 2.5350 2.6684 2.6684 2.7158 2.7158 2.9123 2.9123 2.9216 2.9216 2.9498 2.9498 3.0002 3.0002 3.1018 3.1018 3.2078 3.2078 3.5184 3.5184 3.5670 3.5670 3.8414 3.8414 3.9114 3.9114 7.8521 7.8521 8.5622 8.5622 8.5704 8.5704 9.1618 9.1618 9.2100 9.2100 k = 0.3333 0.5774 0.3959 ( 13446 PWs) bands (ev): -15.2535 -15.2535 -8.1404 -8.1404 -8.1378 -8.1378 -4.0983 -4.0983 -2.7405 -2.7405 -2.7349 -2.7349 0.0908 0.0908 0.1803 0.1803 0.2860 0.2860 1.0040 1.0040 1.0800 1.0800 1.1114 1.1114 2.3070 2.3070 2.3227 2.3227 2.5343 2.5343 2.6685 2.6685 2.7153 2.7153 2.9127 2.9127 2.9217 2.9217 2.9492 2.9492 3.0002 3.0002 3.1023 3.1023 3.2073 3.2073 3.5205 3.5205 3.5639 3.5639 3.8419 3.8419 3.9123 3.9123 7.8681 7.8681 8.5873 8.5873 8.5956 8.5956 9.1689 9.1689 9.2191 9.2191 k = 0.3333 0.5774 0.4131 ( 13446 PWs) bands (ev): -15.2535 -15.2535 -8.1403 -8.1403 -8.1377 -8.1377 -4.0986 -4.0986 -2.7412 -2.7412 -2.7356 -2.7356 0.0913 0.0913 0.1819 0.1819 0.2894 0.2894 1.0011 1.0011 1.0789 1.0789 1.1110 1.1110 2.3069 2.3069 2.3227 2.3227 2.5339 2.5339 2.6686 2.6686 2.7150 2.7150 2.9129 2.9129 2.9218 2.9218 2.9489 2.9489 3.0002 3.0002 3.1026 3.1026 3.2070 3.2070 3.5219 3.5219 3.5618 3.5618 3.8422 3.8422 3.9129 3.9129 7.8780 7.8780 8.6029 8.6029 8.6113 8.6113 9.1737 9.1737 9.2252 9.2252 k = 0.3333 0.5774 0.4304 ( 13434 PWs) bands (ev): -15.2535 -15.2535 -8.1403 -8.1403 -8.1377 -8.1377 -4.0987 -4.0987 -2.7415 -2.7415 -2.7358 -2.7358 0.0915 0.0915 0.1824 0.1824 0.2905 0.2905 1.0002 1.0002 1.0785 1.0785 1.1108 1.1108 2.3069 2.3069 2.3227 2.3227 2.5337 2.5337 2.6686 2.6686 2.7149 2.7149 2.9130 2.9130 2.9219 2.9219 2.9488 2.9488 3.0002 3.0002 3.1026 3.1026 3.2070 3.2070 3.5223 3.5223 3.5612 3.5612 3.8424 3.8424 3.9131 3.9131 7.8813 7.8813 8.6082 8.6082 8.6167 8.6167 9.1754 9.1754 9.2274 9.2274 Writing output data file CsCu3S2.save init_run : 0.62s CPU 0.82s WALL ( 1 calls) electrons : 326.44s CPU 330.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 326.42s CPU 330.42s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.17s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.28s WALL ( 270 calls) cegterg : 292.92s CPU 295.23s WALL ( 378 calls) Called by sum_band: Called by *egterg: h_psi : 185.16s CPU 187.05s WALL ( 6176 calls) s_psi : 14.38s CPU 14.39s WALL ( 6176 calls) g_psi : 0.71s CPU 0.73s WALL ( 5528 calls) cdiaghg : 64.02s CPU 64.87s WALL ( 5798 calls) cegterg:over : 18.54s CPU 18.81s WALL ( 5528 calls) cegterg:upda : 18.54s CPU 18.47s WALL ( 5528 calls) cegterg:last : 8.26s CPU 8.28s WALL ( 918 calls) cdiaghg:chol : 3.82s CPU 3.79s WALL ( 5798 calls) cdiaghg:inve : 2.52s CPU 2.68s WALL ( 5798 calls) cdiaghg:para : 4.65s CPU 4.51s WALL ( 11596 calls) Called by h_psi: h_psi:vloc : 150.50s CPU 152.11s WALL ( 6176 calls) h_psi:vnl : 33.86s CPU 34.08s WALL ( 6176 calls) add_vuspsi : 18.85s CPU 18.91s WALL ( 6176 calls) General routines calbec : 14.99s CPU 15.15s WALL ( 6176 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 143.21s CPU 144.41s WALL ( 791352 calls) davcio : 0.32s CPU 0.64s WALL ( 540 calls) Parallel routines fft_scatter : 47.84s CPU 48.34s WALL ( 791367 calls) PWSCF : 6m 1.65s CPU 6m23.94s WALL This run was terminated on: 17:39:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=