Program PWSCF v.5.1.1 starts on 24Nov2015 at 6:26:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiIO3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 63 17 2663 2663 387 Max 64 64 18 2668 2668 392 Sum 3049 3049 847 127923 127923 18687 bravais-lattice index = 14 lattice parameter (alat) = 10.3633 a.u. unit-cell volume = 909.9137 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.363257 celldm(2)= 1.000000 celldm(3)= 0.944019 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.944019 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.059301 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) I 7.00 126.90450 I( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4720095 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4720095 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4720095 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4720095 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4720095 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4720095 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_6 (622) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' -C2 -3C2' -3C2' G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 -E -1 -2C6 -5 -6 -2C3 -7 -8 Cartesian axes number of k points= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0034722 k( 3) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0034722 k( 4) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0034722 k( 6) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0034722 k( 7) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0034722 k( 8) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0034722 k( 9) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0034722 k( 10) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0034722 k( 11) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0034722 k( 12) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0034722 k( 13) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0034722 k( 14) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0034722 k( 15) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0034722 k( 16) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0034722 k( 17) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0034722 k( 18) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034722 k( 19) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0034722 k( 20) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0034722 k( 21) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0034722 k( 22) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0034722 k( 23) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0034722 k( 24) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0034722 k( 25) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0034722 k( 26) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0034722 k( 27) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0034722 k( 28) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0034722 k( 29) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0034722 k( 30) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0034722 k( 31) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0034722 k( 32) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0034722 k( 33) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0034722 k( 34) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0034722 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 37) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0034722 k( 38) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0034722 k( 39) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0034722 k( 40) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0034722 k( 41) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034722 k( 42) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0034722 k( 43) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0034722 k( 44) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0034722 k( 45) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0034722 k( 46) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034722 k( 47) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0034722 k( 48) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0034722 k( 49) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0034722 k( 50) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0034722 k( 51) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034722 k( 52) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0034722 k( 53) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0034722 k( 54) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0034722 k( 55) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0034722 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 58) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0034722 k( 59) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0034722 k( 60) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0034722 k( 61) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0034722 k( 62) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0034722 k( 63) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0034722 k( 64) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0034722 k( 65) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0034722 k( 66) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0034722 k( 67) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0034722 k( 68) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0034722 k( 69) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0034722 k( 70) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0034722 k( 71) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0034722 k( 72) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0034722 k( 73) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0034722 k( 74) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0034722 k( 75) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0034722 k( 76) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0034722 k( 77) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0034722 k( 78) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0034722 k( 79) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0034722 k( 80) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0034722 k( 81) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0034722 k( 82) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0034722 k( 83) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0034722 k( 84) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0034722 k( 85) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0034722 k( 86) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0034722 k( 87) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0034722 k( 88) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0034722 k( 89) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0034722 k( 90) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0034722 k( 91) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0034722 k( 92) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0034722 k( 93) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0034722 k( 94) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0034722 k( 95) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0034722 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 98) = ( 0.0000000 0.0000000 0.0170855), wk = 0.0034722 k( 99) = ( 0.0000000 0.0000000 0.0341710), wk = 0.0034722 k( 100) = ( 0.0000000 0.0000000 0.0512565), wk = 0.0034722 k( 101) = ( 0.0000000 0.0000000 0.0683420), wk = 0.0034722 k( 102) = ( 0.0000000 0.0000000 0.0854275), wk = 0.0034722 k( 103) = ( 0.0000000 0.0000000 0.1025130), wk = 0.0034722 k( 104) = ( 0.0000000 0.0000000 0.1195985), wk = 0.0034722 k( 105) = ( 0.0000000 0.0000000 0.1366840), wk = 0.0034722 k( 106) = ( 0.0000000 0.0000000 0.1537695), wk = 0.0034722 k( 107) = ( 0.0000000 0.0000000 0.1708550), wk = 0.0034722 k( 108) = ( 0.0000000 0.0000000 0.1879405), wk = 0.0034722 k( 109) = ( 0.0000000 0.0000000 0.2050260), wk = 0.0034722 k( 110) = ( 0.0000000 0.0000000 0.2221114), wk = 0.0034722 k( 111) = ( 0.0000000 0.0000000 0.2391969), wk = 0.0034722 k( 112) = ( 0.0000000 0.0000000 0.2562824), wk = 0.0034722 k( 113) = ( 0.0000000 0.0000000 0.2733679), wk = 0.0034722 k( 114) = ( 0.0000000 0.0000000 0.2904534), wk = 0.0034722 k( 115) = ( 0.0000000 0.0000000 0.3075389), wk = 0.0034722 k( 116) = ( 0.0000000 0.0000000 0.3246244), wk = 0.0034722 k( 117) = ( 0.0000000 0.0000000 0.3417099), wk = 0.0034722 k( 118) = ( 0.0000000 0.0000000 0.3587954), wk = 0.0034722 k( 119) = ( 0.0000000 0.0000000 0.3758809), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.3929664), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.4100519), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.4271374), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.4442229), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.4613084), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.4783939), wk = 0.0034722 k( 126) = ( 0.0000000 0.0000000 0.4954794), wk = 0.0034722 k( 127) = ( 0.0000000 0.0000000 0.5125649), wk = 0.0034722 k( 128) = ( 0.0000000 0.0000000 0.5296504), wk = 0.0034722 k( 129) = ( 0.0000000 0.0000000 0.5296504), wk = 0.0034722 k( 130) = ( 0.0147059 0.0084904 0.5296504), wk = 0.0034722 k( 131) = ( 0.0294118 0.0169809 0.5296504), wk = 0.0034722 k( 132) = ( 0.0441177 0.0254713 0.5296504), wk = 0.0034722 k( 133) = ( 0.0588235 0.0339618 0.5296504), wk = 0.0034722 k( 134) = ( 0.0735294 0.0424522 0.5296504), wk = 0.0034722 k( 135) = ( 0.0882353 0.0509427 0.5296504), wk = 0.0034722 k( 136) = ( 0.1029412 0.0594331 0.5296504), wk = 0.0034722 k( 137) = ( 0.1176471 0.0679236 0.5296504), wk = 0.0034722 k( 138) = ( 0.1323529 0.0764140 0.5296504), wk = 0.0034722 k( 139) = ( 0.1470588 0.0849044 0.5296504), wk = 0.0034722 k( 140) = ( 0.1617647 0.0933949 0.5296504), wk = 0.0034722 k( 141) = ( 0.1764706 0.1018853 0.5296504), wk = 0.0034722 k( 142) = ( 0.1911765 0.1103758 0.5296504), wk = 0.0034722 k( 143) = ( 0.2058823 0.1188662 0.5296504), wk = 0.0034722 k( 144) = ( 0.2205882 0.1273567 0.5296504), wk = 0.0034722 k( 145) = ( 0.2352941 0.1358471 0.5296504), wk = 0.0034722 k( 146) = ( 0.2500000 0.1443376 0.5296504), wk = 0.0034722 k( 147) = ( 0.2647059 0.1528280 0.5296504), wk = 0.0034722 k( 148) = ( 0.2794118 0.1613185 0.5296504), wk = 0.0034722 k( 149) = ( 0.2941177 0.1698089 0.5296504), wk = 0.0034722 k( 150) = ( 0.3088235 0.1782993 0.5296504), wk = 0.0034722 k( 151) = ( 0.3235294 0.1867898 0.5296504), wk = 0.0034722 k( 152) = ( 0.3382353 0.1952802 0.5296504), wk = 0.0034722 k( 153) = ( 0.3529412 0.2037707 0.5296504), wk = 0.0034722 k( 154) = ( 0.3676471 0.2122611 0.5296504), wk = 0.0034722 k( 155) = ( 0.3823529 0.2207516 0.5296504), wk = 0.0034722 k( 156) = ( 0.3970588 0.2292420 0.5296504), wk = 0.0034722 k( 157) = ( 0.4117647 0.2377325 0.5296504), wk = 0.0034722 k( 158) = ( 0.4264706 0.2462229 0.5296504), wk = 0.0034722 k( 159) = ( 0.4411765 0.2547134 0.5296504), wk = 0.0034722 k( 160) = ( 0.4558823 0.2632038 0.5296504), wk = 0.0034722 k( 161) = ( 0.4705882 0.2716942 0.5296504), wk = 0.0034722 k( 162) = ( 0.4852941 0.2801847 0.5296504), wk = 0.0034722 k( 163) = ( 0.5000000 0.2886751 0.5296504), wk = 0.0034722 k( 164) = ( 0.5000000 0.2886751 0.5296504), wk = 0.0034722 k( 165) = ( 0.4916667 0.3031089 0.5296504), wk = 0.0034722 k( 166) = ( 0.4833333 0.3175426 0.5296504), wk = 0.0034722 k( 167) = ( 0.4750000 0.3319764 0.5296504), wk = 0.0034722 k( 168) = ( 0.4666667 0.3464102 0.5296504), wk = 0.0034722 k( 169) = ( 0.4583333 0.3608439 0.5296504), wk = 0.0034722 k( 170) = ( 0.4500000 0.3752777 0.5296504), wk = 0.0034722 k( 171) = ( 0.4416667 0.3897114 0.5296504), wk = 0.0034722 k( 172) = ( 0.4333333 0.4041452 0.5296504), wk = 0.0034722 k( 173) = ( 0.4250000 0.4185789 0.5296504), wk = 0.0034722 k( 174) = ( 0.4166667 0.4330127 0.5296504), wk = 0.0034722 k( 175) = ( 0.4083333 0.4474465 0.5296504), wk = 0.0034722 k( 176) = ( 0.4000000 0.4618802 0.5296504), wk = 0.0034722 k( 177) = ( 0.3916667 0.4763140 0.5296504), wk = 0.0034722 k( 178) = ( 0.3833333 0.4907477 0.5296504), wk = 0.0034722 k( 179) = ( 0.3750000 0.5051815 0.5296504), wk = 0.0034722 k( 180) = ( 0.3666667 0.5196152 0.5296504), wk = 0.0034722 k( 181) = ( 0.3583333 0.5340490 0.5296504), wk = 0.0034722 k( 182) = ( 0.3500000 0.5484828 0.5296504), wk = 0.0034722 k( 183) = ( 0.3416667 0.5629165 0.5296504), wk = 0.0034722 k( 184) = ( 0.3333333 0.5773503 0.5296504), wk = 0.0034722 k( 185) = ( 0.3333333 0.5773503 0.5296504), wk = 0.0034722 k( 186) = ( 0.3247863 0.5625464 0.5296504), wk = 0.0034722 k( 187) = ( 0.3162393 0.5477426 0.5296504), wk = 0.0034722 k( 188) = ( 0.3076923 0.5329387 0.5296504), wk = 0.0034722 k( 189) = ( 0.2991453 0.5181349 0.5296504), wk = 0.0034722 k( 190) = ( 0.2905983 0.5033310 0.5296504), wk = 0.0034722 k( 191) = ( 0.2820513 0.4885271 0.5296504), wk = 0.0034722 k( 192) = ( 0.2735043 0.4737233 0.5296504), wk = 0.0034722 k( 193) = ( 0.2649573 0.4589194 0.5296504), wk = 0.0034722 k( 194) = ( 0.2564103 0.4441156 0.5296504), wk = 0.0034722 k( 195) = ( 0.2478633 0.4293117 0.5296504), wk = 0.0034722 k( 196) = ( 0.2393162 0.4145079 0.5296504), wk = 0.0034722 k( 197) = ( 0.2307692 0.3997040 0.5296504), wk = 0.0034722 k( 198) = ( 0.2222222 0.3849002 0.5296504), wk = 0.0034722 k( 199) = ( 0.2136752 0.3700963 0.5296504), wk = 0.0034722 k( 200) = ( 0.2051282 0.3552925 0.5296504), wk = 0.0034722 k( 201) = ( 0.1965812 0.3404886 0.5296504), wk = 0.0034722 k( 202) = ( 0.1880342 0.3256848 0.5296504), wk = 0.0034722 k( 203) = ( 0.1794872 0.3108809 0.5296504), wk = 0.0034722 k( 204) = ( 0.1709402 0.2960771 0.5296504), wk = 0.0034722 k( 205) = ( 0.1623932 0.2812732 0.5296504), wk = 0.0034722 k( 206) = ( 0.1538461 0.2664693 0.5296504), wk = 0.0034722 k( 207) = ( 0.1452991 0.2516655 0.5296504), wk = 0.0034722 k( 208) = ( 0.1367521 0.2368617 0.5296504), wk = 0.0034722 k( 209) = ( 0.1282051 0.2220578 0.5296504), wk = 0.0034722 k( 210) = ( 0.1196581 0.2072539 0.5296504), wk = 0.0034722 k( 211) = ( 0.1111111 0.1924501 0.5296504), wk = 0.0034722 k( 212) = ( 0.1025641 0.1776462 0.5296504), wk = 0.0034722 k( 213) = ( 0.0940171 0.1628424 0.5296504), wk = 0.0034722 k( 214) = ( 0.0854701 0.1480385 0.5296504), wk = 0.0034722 k( 215) = ( 0.0769231 0.1332347 0.5296504), wk = 0.0034722 k( 216) = ( 0.0683761 0.1184308 0.5296504), wk = 0.0034722 k( 217) = ( 0.0598291 0.1036270 0.5296504), wk = 0.0034722 k( 218) = ( 0.0512821 0.0888231 0.5296504), wk = 0.0034722 k( 219) = ( 0.0427350 0.0740193 0.5296504), wk = 0.0034722 k( 220) = ( 0.0341880 0.0592154 0.5296504), wk = 0.0034722 k( 221) = ( 0.0256410 0.0444116 0.5296504), wk = 0.0034722 k( 222) = ( 0.0170940 0.0296077 0.5296504), wk = 0.0034722 k( 223) = ( 0.0085470 0.0148039 0.5296504), wk = 0.0034722 k( 224) = ( 0.0000000 0.0000000 0.5296504), wk = 0.0034722 k( 225) = ( 0.5000000 0.2886751 0.5296504), wk = 0.0034722 k( 226) = ( 0.5000000 0.2886751 0.5125649), wk = 0.0034722 k( 227) = ( 0.5000000 0.2886751 0.4954794), wk = 0.0034722 k( 228) = ( 0.5000000 0.2886751 0.4783939), wk = 0.0034722 k( 229) = ( 0.5000000 0.2886751 0.4613084), wk = 0.0034722 k( 230) = ( 0.5000000 0.2886751 0.4442229), wk = 0.0034722 k( 231) = ( 0.5000000 0.2886751 0.4271374), wk = 0.0034722 k( 232) = ( 0.5000000 0.2886751 0.4100519), wk = 0.0034722 k( 233) = ( 0.5000000 0.2886751 0.3929664), wk = 0.0034722 k( 234) = ( 0.5000000 0.2886751 0.3758809), wk = 0.0034722 k( 235) = ( 0.5000000 0.2886751 0.3587954), wk = 0.0034722 k( 236) = ( 0.5000000 0.2886751 0.3417099), wk = 0.0034722 k( 237) = ( 0.5000000 0.2886751 0.3246244), wk = 0.0034722 k( 238) = ( 0.5000000 0.2886751 0.3075389), wk = 0.0034722 k( 239) = ( 0.5000000 0.2886751 0.2904534), wk = 0.0034722 k( 240) = ( 0.5000000 0.2886751 0.2733679), wk = 0.0034722 k( 241) = ( 0.5000000 0.2886751 0.2562824), wk = 0.0034722 k( 242) = ( 0.5000000 0.2886751 0.2391969), wk = 0.0034722 k( 243) = ( 0.5000000 0.2886751 0.2221114), wk = 0.0034722 k( 244) = ( 0.5000000 0.2886751 0.2050260), wk = 0.0034722 k( 245) = ( 0.5000000 0.2886751 0.1879405), wk = 0.0034722 k( 246) = ( 0.5000000 0.2886751 0.1708550), wk = 0.0034722 k( 247) = ( 0.5000000 0.2886751 0.1537695), wk = 0.0034722 k( 248) = ( 0.5000000 0.2886751 0.1366840), wk = 0.0034722 k( 249) = ( 0.5000000 0.2886751 0.1195985), wk = 0.0034722 k( 250) = ( 0.5000000 0.2886751 0.1025130), wk = 0.0034722 k( 251) = ( 0.5000000 0.2886751 0.0854275), wk = 0.0034722 k( 252) = ( 0.5000000 0.2886751 0.0683420), wk = 0.0034722 k( 253) = ( 0.5000000 0.2886751 0.0512565), wk = 0.0034722 k( 254) = ( 0.5000000 0.2886751 0.0341710), wk = 0.0034722 k( 255) = ( 0.5000000 0.2886751 0.0170855), wk = 0.0034722 k( 256) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 257) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 258) = ( 0.3333333 0.5773503 0.0170855), wk = 0.0034722 k( 259) = ( 0.3333333 0.5773503 0.0341710), wk = 0.0034722 k( 260) = ( 0.3333333 0.5773503 0.0512565), wk = 0.0034722 k( 261) = ( 0.3333333 0.5773503 0.0683420), wk = 0.0034722 k( 262) = ( 0.3333333 0.5773503 0.0854275), wk = 0.0034722 k( 263) = ( 0.3333333 0.5773503 0.1025130), wk = 0.0034722 k( 264) = ( 0.3333333 0.5773503 0.1195985), wk = 0.0034722 k( 265) = ( 0.3333333 0.5773503 0.1366840), wk = 0.0034722 k( 266) = ( 0.3333333 0.5773503 0.1537695), wk = 0.0034722 k( 267) = ( 0.3333333 0.5773503 0.1708550), wk = 0.0034722 k( 268) = ( 0.3333333 0.5773503 0.1879405), wk = 0.0034722 k( 269) = ( 0.3333333 0.5773503 0.2050260), wk = 0.0034722 k( 270) = ( 0.3333333 0.5773503 0.2221114), wk = 0.0034722 k( 271) = ( 0.3333333 0.5773503 0.2391969), wk = 0.0034722 k( 272) = ( 0.3333333 0.5773503 0.2562824), wk = 0.0034722 k( 273) = ( 0.3333333 0.5773503 0.2733679), wk = 0.0034722 k( 274) = ( 0.3333333 0.5773503 0.2904534), wk = 0.0034722 k( 275) = ( 0.3333333 0.5773503 0.3075389), wk = 0.0034722 k( 276) = ( 0.3333333 0.5773503 0.3246244), wk = 0.0034722 k( 277) = ( 0.3333333 0.5773503 0.3417099), wk = 0.0034722 k( 278) = ( 0.3333333 0.5773503 0.3587954), wk = 0.0034722 k( 279) = ( 0.3333333 0.5773503 0.3758809), wk = 0.0034722 k( 280) = ( 0.3333333 0.5773503 0.3929664), wk = 0.0034722 k( 281) = ( 0.3333333 0.5773503 0.4100519), wk = 0.0034722 k( 282) = ( 0.3333333 0.5773503 0.4271374), wk = 0.0034722 k( 283) = ( 0.3333333 0.5773503 0.4442229), wk = 0.0034722 k( 284) = ( 0.3333333 0.5773503 0.4613084), wk = 0.0034722 k( 285) = ( 0.3333333 0.5773503 0.4783939), wk = 0.0034722 k( 286) = ( 0.3333333 0.5773503 0.4954794), wk = 0.0034722 k( 287) = ( 0.3333333 0.5773503 0.5125649), wk = 0.0034722 k( 288) = ( 0.3333333 0.5773503 0.5296504), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0147059 -0.0000000 0.0000000), wk = 0.0034722 k( 3) = ( 0.0294118 -0.0000000 0.0000000), wk = 0.0034722 k( 4) = ( 0.0441177 0.0000000 0.0000000), wk = 0.0034722 k( 5) = ( 0.0588235 -0.0000000 0.0000000), wk = 0.0034722 k( 6) = ( 0.0735294 -0.0000000 0.0000000), wk = 0.0034722 k( 7) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0034722 k( 8) = ( 0.1029412 0.0000000 0.0000000), wk = 0.0034722 k( 9) = ( 0.1176471 -0.0000000 0.0000000), wk = 0.0034722 k( 10) = ( 0.1323529 0.0000000 0.0000000), wk = 0.0034722 k( 11) = ( 0.1470588 -0.0000000 0.0000000), wk = 0.0034722 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0034722 k( 13) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0034722 k( 14) = ( 0.1911765 -0.0000000 0.0000000), wk = 0.0034722 k( 15) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0034722 k( 16) = ( 0.2205882 0.0000000 0.0000000), wk = 0.0034722 k( 17) = ( 0.2352941 -0.0000000 0.0000000), wk = 0.0034722 k( 18) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034722 k( 19) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0034722 k( 20) = ( 0.2794118 0.0000000 0.0000000), wk = 0.0034722 k( 21) = ( 0.2941177 -0.0000000 0.0000000), wk = 0.0034722 k( 22) = ( 0.3088235 0.0000000 0.0000000), wk = 0.0034722 k( 23) = ( 0.3235294 -0.0000000 0.0000000), wk = 0.0034722 k( 24) = ( 0.3382353 0.0000000 0.0000000), wk = 0.0034722 k( 25) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0034722 k( 26) = ( 0.3676471 0.0000000 0.0000000), wk = 0.0034722 k( 27) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0034722 k( 28) = ( 0.3970588 -0.0000000 0.0000000), wk = 0.0034722 k( 29) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0034722 k( 30) = ( 0.4264706 0.0000000 0.0000000), wk = 0.0034722 k( 31) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0034722 k( 32) = ( 0.4558823 -0.0000000 0.0000000), wk = 0.0034722 k( 33) = ( 0.4705882 -0.0000000 0.0000000), wk = 0.0034722 k( 34) = ( 0.4852941 -0.0000000 0.0000000), wk = 0.0034722 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 37) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0034722 k( 38) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0034722 k( 39) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0034722 k( 40) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0034722 k( 41) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0034722 k( 42) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0034722 k( 43) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0034722 k( 44) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0034722 k( 45) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0034722 k( 46) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0034722 k( 47) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0034722 k( 48) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0034722 k( 49) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0034722 k( 50) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0034722 k( 51) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0034722 k( 52) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0034722 k( 53) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0034722 k( 54) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0034722 k( 55) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0034722 k( 56) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034722 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034722 k( 58) = ( 0.3247863 0.3247863 0.0000000), wk = 0.0034722 k( 59) = ( 0.3162393 0.3162393 0.0000000), wk = 0.0034722 k( 60) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0034722 k( 61) = ( 0.2991453 0.2991453 0.0000000), wk = 0.0034722 k( 62) = ( 0.2905983 0.2905983 0.0000000), wk = 0.0034722 k( 63) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0034722 k( 64) = ( 0.2735043 0.2735043 0.0000000), wk = 0.0034722 k( 65) = ( 0.2649573 0.2649573 0.0000000), wk = 0.0034722 k( 66) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0034722 k( 67) = ( 0.2478633 0.2478632 0.0000000), wk = 0.0034722 k( 68) = ( 0.2393162 0.2393162 0.0000000), wk = 0.0034722 k( 69) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0034722 k( 70) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0034722 k( 71) = ( 0.2136752 0.2136752 0.0000000), wk = 0.0034722 k( 72) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0034722 k( 73) = ( 0.1965812 0.1965812 0.0000000), wk = 0.0034722 k( 74) = ( 0.1880342 0.1880342 0.0000000), wk = 0.0034722 k( 75) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0034722 k( 76) = ( 0.1709402 0.1709402 0.0000000), wk = 0.0034722 k( 77) = ( 0.1623932 0.1623932 0.0000000), wk = 0.0034722 k( 78) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0034722 k( 79) = ( 0.1452991 0.1452991 0.0000000), wk = 0.0034722 k( 80) = ( 0.1367521 0.1367521 0.0000000), wk = 0.0034722 k( 81) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0034722 k( 82) = ( 0.1196581 0.1196581 0.0000000), wk = 0.0034722 k( 83) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0034722 k( 84) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0034722 k( 85) = ( 0.0940171 0.0940171 0.0000000), wk = 0.0034722 k( 86) = ( 0.0854701 0.0854701 0.0000000), wk = 0.0034722 k( 87) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0034722 k( 88) = ( 0.0683761 0.0683761 0.0000000), wk = 0.0034722 k( 89) = ( 0.0598291 0.0598291 0.0000000), wk = 0.0034722 k( 90) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0034722 k( 91) = ( 0.0427350 0.0427350 0.0000000), wk = 0.0034722 k( 92) = ( 0.0341880 0.0341880 0.0000000), wk = 0.0034722 k( 93) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0034722 k( 94) = ( 0.0170940 0.0170940 0.0000000), wk = 0.0034722 k( 95) = ( 0.0085470 0.0085470 0.0000000), wk = 0.0034722 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 98) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0034722 k( 99) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0034722 k( 100) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0034722 k( 101) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0034722 k( 102) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0034722 k( 103) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0034722 k( 104) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0034722 k( 105) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0034722 k( 106) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0034722 k( 107) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0034722 k( 108) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0034722 k( 109) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0034722 k( 110) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0034722 k( 111) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0034722 k( 112) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0034722 k( 113) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0034722 k( 114) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0034722 k( 115) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0034722 k( 116) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0034722 k( 117) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0034722 k( 118) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0034722 k( 119) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0034722 k( 126) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0034722 k( 127) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0034722 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 130) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0034722 k( 131) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0034722 k( 132) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0034722 k( 133) = ( 0.0588235 -0.0000000 0.5000000), wk = 0.0034722 k( 134) = ( 0.0735294 -0.0000000 0.5000000), wk = 0.0034722 k( 135) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0034722 k( 136) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0034722 k( 137) = ( 0.1176471 -0.0000000 0.5000000), wk = 0.0034722 k( 138) = ( 0.1323529 0.0000000 0.5000000), wk = 0.0034722 k( 139) = ( 0.1470588 -0.0000000 0.5000000), wk = 0.0034722 k( 140) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0034722 k( 141) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0034722 k( 142) = ( 0.1911765 -0.0000000 0.5000000), wk = 0.0034722 k( 143) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0034722 k( 144) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0034722 k( 145) = ( 0.2352941 -0.0000000 0.5000000), wk = 0.0034722 k( 146) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034722 k( 147) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0034722 k( 148) = ( 0.2794118 0.0000000 0.5000000), wk = 0.0034722 k( 149) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0034722 k( 150) = ( 0.3088235 0.0000000 0.5000000), wk = 0.0034722 k( 151) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0034722 k( 152) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0034722 k( 153) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0034722 k( 154) = ( 0.3676471 0.0000000 0.5000000), wk = 0.0034722 k( 155) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0034722 k( 156) = ( 0.3970588 -0.0000000 0.5000000), wk = 0.0034722 k( 157) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0034722 k( 158) = ( 0.4264706 0.0000000 0.5000000), wk = 0.0034722 k( 159) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0034722 k( 160) = ( 0.4558823 -0.0000000 0.5000000), wk = 0.0034722 k( 161) = ( 0.4705882 -0.0000000 0.5000000), wk = 0.0034722 k( 162) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0034722 k( 163) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 165) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0034722 k( 166) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0034722 k( 167) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0034722 k( 168) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0034722 k( 169) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034722 k( 170) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0034722 k( 171) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0034722 k( 172) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0034722 k( 173) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0034722 k( 174) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034722 k( 175) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0034722 k( 176) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0034722 k( 177) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0034722 k( 178) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0034722 k( 179) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034722 k( 180) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0034722 k( 181) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0034722 k( 182) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0034722 k( 183) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0034722 k( 184) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 k( 185) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 k( 186) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0034722 k( 187) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0034722 k( 188) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0034722 k( 189) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0034722 k( 190) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0034722 k( 191) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0034722 k( 192) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0034722 k( 193) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0034722 k( 194) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0034722 k( 195) = ( 0.2478633 0.2478632 0.5000000), wk = 0.0034722 k( 196) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0034722 k( 197) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0034722 k( 198) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0034722 k( 199) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0034722 k( 200) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0034722 k( 201) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0034722 k( 202) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0034722 k( 203) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0034722 k( 204) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0034722 k( 205) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0034722 k( 206) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0034722 k( 207) = ( 0.1452991 0.1452991 0.5000000), wk = 0.0034722 k( 208) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0034722 k( 209) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0034722 k( 210) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0034722 k( 211) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0034722 k( 212) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0034722 k( 213) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0034722 k( 214) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0034722 k( 215) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0034722 k( 216) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0034722 k( 217) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0034722 k( 218) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0034722 k( 219) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0034722 k( 220) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0034722 k( 221) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0034722 k( 222) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0034722 k( 223) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0034722 k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 225) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 226) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0034722 k( 227) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0034722 k( 228) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0034722 k( 229) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0034722 k( 230) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0034722 k( 231) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0034722 k( 232) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0034722 k( 233) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0034722 k( 234) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0034722 k( 235) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0034722 k( 236) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0034722 k( 237) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0034722 k( 238) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0034722 k( 239) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0034722 k( 240) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0034722 k( 241) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0034722 k( 242) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0034722 k( 243) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0034722 k( 244) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0034722 k( 245) = ( 0.5000000 0.0000000 0.1774193), wk = 0.0034722 k( 246) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0034722 k( 247) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0034722 k( 248) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0034722 k( 249) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0034722 k( 250) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0034722 k( 251) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0034722 k( 252) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0034722 k( 253) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0034722 k( 254) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0034722 k( 255) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0034722 k( 256) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 257) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034722 k( 258) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0034722 k( 259) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0034722 k( 260) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0034722 k( 261) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0034722 k( 262) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0034722 k( 263) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0034722 k( 264) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0034722 k( 265) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0034722 k( 266) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0034722 k( 267) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0034722 k( 268) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0034722 k( 269) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0034722 k( 270) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0034722 k( 271) = ( 0.3333333 0.3333333 0.2258065), wk = 0.0034722 k( 272) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0034722 k( 273) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0034722 k( 274) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0034722 k( 275) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0034722 k( 276) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0034722 k( 277) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0034722 k( 278) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0034722 k( 279) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0034722 k( 280) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0034722 k( 281) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0034722 k( 282) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0034722 k( 283) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0034722 k( 284) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0034722 k( 285) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0034722 k( 286) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0034722 k( 287) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0034722 k( 288) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 Dense grid: 127923 G-vectors FFT dimensions: ( 72, 72, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.72 Mb ( 692, 68) NL pseudopotentials 0.76 Mb ( 346, 144) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2665) G-vector shells 0.01 Mb ( 1286) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.87 Mb ( 692, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.30 Mb ( 144, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiIO3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 46.8 secs Computing kpt #: 3 total cpu time spent up to now is 50.7 secs Computing kpt #: 4 total cpu time spent up to now is 54.7 secs Computing kpt #: 5 total cpu time spent up to now is 58.7 secs Computing kpt #: 6 total cpu time spent up to now is 64.1 secs Computing kpt #: 7 total cpu time spent up to now is 68.1 secs Computing kpt #: 8 total cpu time spent up to now is 72.2 secs Computing kpt #: 9 total cpu time spent up to now is 76.2 secs Computing kpt #: 10 total cpu time spent up to now is 80.2 secs Computing kpt #: 11 total cpu time spent up to now is 84.1 secs Computing kpt #: 12 total cpu time spent up to now is 88.9 secs Computing kpt #: 13 total cpu time spent up to now is 93.0 secs Computing kpt #: 14 total cpu time spent up to now is 97.2 secs Computing kpt #: 15 total cpu time spent up to now is 101.1 secs Computing kpt #: 16 total cpu time spent up to now is 105.2 secs Computing kpt #: 17 total cpu time spent up to now is 109.9 secs Computing kpt #: 18 total cpu time spent up to now is 114.3 secs Computing kpt #: 19 total cpu time spent up to now is 118.4 secs Computing kpt #: 20 total cpu time spent up to now is 122.2 secs Computing kpt #: 21 total cpu time spent up to now is 126.8 secs Computing kpt #: 22 total cpu time spent up to now is 130.8 secs Computing kpt #: 23 total cpu time spent up to now is 135.9 secs Computing kpt #: 24 total cpu time spent up to now is 140.0 secs Computing kpt #: 25 total cpu time spent up to now is 144.0 secs Computing kpt #: 26 total cpu time spent up to now is 147.9 secs Computing kpt #: 27 total cpu time spent up to now is 152.0 secs Computing kpt #: 28 total cpu time spent up to now is 156.2 secs Computing kpt #: 29 total cpu time spent up to now is 160.2 secs Computing kpt #: 30 total cpu time spent up to now is 164.2 secs Computing kpt #: 31 total cpu time spent up to now is 168.2 secs Computing kpt #: 32 total cpu time spent up to now is 172.2 secs Computing kpt #: 33 total cpu time spent up to now is 176.3 secs Computing kpt #: 34 total cpu time spent up to now is 180.3 secs Computing kpt #: 35 total cpu time spent up to now is 184.5 secs Computing kpt #: 36 total cpu time spent up to now is 188.5 secs Computing kpt #: 37 total cpu time spent up to now is 192.5 secs Computing kpt #: 38 total cpu time spent up to now is 196.4 secs Computing kpt #: 39 total cpu time spent up to now is 200.6 secs Computing kpt #: 40 total cpu time spent up to now is 204.9 secs Computing kpt #: 41 total cpu time spent up to now is 208.8 secs Computing kpt #: 42 total cpu time spent up to now is 212.7 secs Computing kpt #: 43 total cpu time spent up to now is 216.6 secs Computing kpt #: 44 total cpu time spent up to now is 220.6 secs Computing kpt #: 45 total cpu time spent up to now is 224.5 secs Computing kpt #: 46 total cpu time spent up to now is 228.9 secs Computing kpt #: 47 total cpu time spent up to now is 232.8 secs Computing kpt #: 48 total cpu time spent up to now is 236.7 secs Computing kpt #: 49 total cpu time spent up to now is 240.7 secs Computing kpt #: 50 total cpu time spent up to now is 244.6 secs Computing kpt #: 51 total cpu time spent up to now is 248.8 secs Computing kpt #: 52 total cpu time spent up to now is 253.4 secs Computing kpt #: 53 total cpu time spent up to now is 257.3 secs Computing kpt #: 54 total cpu time spent up to now is 261.2 secs Computing kpt #: 55 total cpu time spent up to now is 265.1 secs Computing kpt #: 56 total cpu time spent up to now is 269.0 secs Computing kpt #: 57 total cpu time spent up to now is 273.1 secs Computing kpt #: 58 total cpu time spent up to now is 277.5 secs Computing kpt #: 59 total cpu time spent up to now is 281.4 secs Computing kpt #: 60 total cpu time spent up to now is 285.5 secs Computing kpt #: 61 total cpu time spent up to now is 289.5 secs Computing kpt #: 62 total cpu time spent up to now is 293.4 secs Computing kpt #: 63 total cpu time spent up to now is 297.6 secs Computing kpt #: 64 total cpu time spent up to now is 301.6 secs Computing kpt #: 65 total cpu time spent up to now is 305.4 secs Computing kpt #: 66 total cpu time spent up to now is 309.4 secs Computing kpt #: 67 total cpu time spent up to now is 313.2 secs Computing kpt #: 68 total cpu time spent up to now is 317.3 secs Computing kpt #: 69 total cpu time spent up to now is 321.9 secs Computing kpt #: 70 total cpu time spent up to now is 325.8 secs Computing kpt #: 71 total cpu time spent up to now is 329.9 secs Computing kpt #: 72 total cpu time spent up to now is 333.8 secs Computing kpt #: 73 total cpu time spent up to now is 337.9 secs Computing kpt #: 74 total cpu time spent up to now is 342.1 secs Computing kpt #: 75 total cpu time spent up to now is 346.1 secs Computing kpt #: 76 total cpu time spent up to now is 350.2 secs Computing kpt #: 77 total cpu time spent up to now is 354.2 secs Computing kpt #: 78 total cpu time spent up to now is 358.4 secs Computing kpt #: 79 total cpu time spent up to now is 362.3 secs Computing kpt #: 80 total cpu time spent up to now is 366.3 secs Computing kpt #: 81 total cpu time spent up to now is 370.2 secs Computing kpt #: 82 total cpu time spent up to now is 374.1 secs Computing kpt #: 83 total cpu time spent up to now is 378.0 secs Computing kpt #: 84 total cpu time spent up to now is 382.0 secs Computing kpt #: 85 total cpu time spent up to now is 386.0 secs Computing kpt #: 86 total cpu time spent up to now is 390.0 secs Computing kpt #: 87 total cpu time spent up to now is 394.0 secs Computing kpt #: 88 total cpu time spent up to now is 398.1 secs Computing kpt #: 89 total cpu time spent up to now is 402.0 secs Computing kpt #: 90 total cpu time spent up to now is 406.0 secs Computing kpt #: 91 total cpu time spent up to now is 410.2 secs Computing kpt #: 92 total cpu time spent up to now is 414.2 secs Computing kpt #: 93 total cpu time spent up to now is 418.1 secs Computing kpt #: 94 total cpu time spent up to now is 422.1 secs Computing kpt #: 95 total cpu time spent up to now is 426.0 secs Computing kpt #: 96 total cpu time spent up to now is 429.9 secs Computing kpt #: 97 total cpu time spent up to now is 434.1 secs Computing kpt #: 98 total cpu time spent up to now is 440.0 secs Computing kpt #: 99 total cpu time spent up to now is 444.4 secs Computing kpt #: 100 total cpu time spent up to now is 448.5 secs Computing kpt #: 101 total cpu time spent up to now is 452.7 secs Computing kpt #: 102 total cpu time spent up to now is 456.8 secs Computing kpt #: 103 total cpu time spent up to now is 461.0 secs Computing kpt #: 104 total cpu time spent up to now is 465.1 secs Computing kpt #: 105 total cpu time spent up to now is 469.2 secs Computing kpt #: 106 total cpu time spent up to now is 473.2 secs Computing kpt #: 107 total cpu time spent up to now is 477.4 secs Computing kpt #: 108 total cpu time spent up to now is 481.5 secs Computing kpt #: 109 total cpu time spent up to now is 485.5 secs Computing kpt #: 110 total cpu time spent up to now is 489.5 secs Computing kpt #: 111 total cpu time spent up to now is 493.5 secs Computing kpt #: 112 total cpu time spent up to now is 497.3 secs Computing kpt #: 113 total cpu time spent up to now is 501.4 secs Computing kpt #: 114 total cpu time spent up to now is 505.4 secs Computing kpt #: 115 total cpu time spent up to now is 509.3 secs Computing kpt #: 116 total cpu time spent up to now is 513.6 secs Computing kpt #: 117 total cpu time spent up to now is 518.1 secs Computing kpt #: 118 total cpu time spent up to now is 523.8 secs Computing kpt #: 119 total cpu time spent up to now is 528.5 secs Computing kpt #: 120 total cpu time spent up to now is 533.0 secs Computing kpt #: 121 total cpu time spent up to now is 537.5 secs Computing kpt #: 122 total cpu time spent up to now is 541.5 secs Computing kpt #: 123 total cpu time spent up to now is 545.7 secs Computing kpt #: 124 total cpu time spent up to now is 550.5 secs Computing kpt #: 125 total cpu time spent up to now is 554.5 secs Computing kpt #: 126 total cpu time spent up to now is 558.6 secs Computing kpt #: 127 total cpu time spent up to now is 562.6 secs Computing kpt #: 128 total cpu time spent up to now is 566.7 secs Computing kpt #: 129 total cpu time spent up to now is 571.2 secs Computing kpt #: 130 total cpu time spent up to now is 575.2 secs Computing kpt #: 131 total cpu time spent up to now is 579.2 secs Computing kpt #: 132 total cpu time spent up to now is 583.4 secs Computing kpt #: 133 total cpu time spent up to now is 587.3 secs Computing kpt #: 134 total cpu time spent up to now is 591.5 secs Computing kpt #: 135 total cpu time spent up to now is 595.6 secs Computing kpt #: 136 total cpu time spent up to now is 599.5 secs Computing kpt #: 137 total cpu time spent up to now is 604.1 secs Computing kpt #: 138 total cpu time spent up to now is 608.6 secs Computing kpt #: 139 total cpu time spent up to now is 612.8 secs Computing kpt #: 140 total cpu time spent up to now is 618.2 secs Computing kpt #: 141 total cpu time spent up to now is 622.4 secs Computing kpt #: 142 total cpu time spent up to now is 627.7 secs Computing kpt #: 143 total cpu time spent up to now is 631.9 secs Computing kpt #: 144 total cpu time spent up to now is 636.9 secs Computing kpt #: 145 total cpu time spent up to now is 641.3 secs Computing kpt #: 146 total cpu time spent up to now is 645.5 secs Computing kpt #: 147 total cpu time spent up to now is 649.7 secs Computing kpt #: 148 total cpu time spent up to now is 653.9 secs Computing kpt #: 149 total cpu time spent up to now is 658.2 secs Computing kpt #: 150 total cpu time spent up to now is 662.8 secs Computing kpt #: 151 total cpu time spent up to now is 666.8 secs Computing kpt #: 152 total cpu time spent up to now is 670.8 secs Computing kpt #: 153 total cpu time spent up to now is 674.8 secs Computing kpt #: 154 total cpu time spent up to now is 679.3 secs Computing kpt #: 155 total cpu time spent up to now is 683.5 secs Computing kpt #: 156 total cpu time spent up to now is 687.7 secs Computing kpt #: 157 total cpu time spent up to now is 692.1 secs Computing kpt #: 158 total cpu time spent up to now is 696.1 secs Computing kpt #: 159 total cpu time spent up to now is 700.1 secs Computing kpt #: 160 total cpu time spent up to now is 704.2 secs Computing kpt #: 161 total cpu time spent up to now is 708.7 secs Computing kpt #: 162 total cpu time spent up to now is 712.8 secs Computing kpt #: 163 total cpu time spent up to now is 716.9 secs Computing kpt #: 164 total cpu time spent up to now is 720.9 secs Computing kpt #: 165 total cpu time spent up to now is 724.9 secs Computing kpt #: 166 total cpu time spent up to now is 729.0 secs Computing kpt #: 167 total cpu time spent up to now is 733.0 secs Computing kpt #: 168 total cpu time spent up to now is 739.6 secs Computing kpt #: 169 total cpu time spent up to now is 744.3 secs Computing kpt #: 170 total cpu time spent up to now is 748.4 secs Computing kpt #: 171 total cpu time spent up to now is 752.7 secs Computing kpt #: 172 total cpu time spent up to now is 756.9 secs Computing kpt #: 173 total cpu time spent up to now is 761.4 secs Computing kpt #: 174 total cpu time spent up to now is 765.4 secs Computing kpt #: 175 total cpu time spent up to now is 769.4 secs Computing kpt #: 176 total cpu time spent up to now is 773.5 secs Computing kpt #: 177 total cpu time spent up to now is 777.4 secs Computing kpt #: 178 total cpu time spent up to now is 781.5 secs Computing kpt #: 179 total cpu time spent up to now is 785.4 secs Computing kpt #: 180 total cpu time spent up to now is 789.7 secs Computing kpt #: 181 total cpu time spent up to now is 793.6 secs Computing kpt #: 182 total cpu time spent up to now is 797.7 secs Computing kpt #: 183 total cpu time spent up to now is 801.7 secs Computing kpt #: 184 total cpu time spent up to now is 805.5 secs Computing kpt #: 185 total cpu time spent up to now is 809.5 secs Computing kpt #: 186 total cpu time spent up to now is 813.3 secs Computing kpt #: 187 total cpu time spent up to now is 817.4 secs Computing kpt #: 188 total cpu time spent up to now is 821.3 secs Computing kpt #: 189 total cpu time spent up to now is 827.3 secs Computing kpt #: 190 total cpu time spent up to now is 831.8 secs Computing kpt #: 191 total cpu time spent up to now is 836.1 secs Computing kpt #: 192 total cpu time spent up to now is 840.4 secs Computing kpt #: 193 total cpu time spent up to now is 845.4 secs Computing kpt #: 194 total cpu time spent up to now is 850.5 secs Computing kpt #: 195 total cpu time spent up to now is 854.9 secs Computing kpt #: 196 total cpu time spent up to now is 859.2 secs Computing kpt #: 197 total cpu time spent up to now is 864.0 secs Computing kpt #: 198 total cpu time spent up to now is 869.1 secs Computing kpt #: 199 total cpu time spent up to now is 873.9 secs Computing kpt #: 200 total cpu time spent up to now is 878.5 secs Computing kpt #: 201 total cpu time spent up to now is 882.7 secs Computing kpt #: 202 total cpu time spent up to now is 887.0 secs Computing kpt #: 203 total cpu time spent up to now is 891.0 secs Computing kpt #: 204 total cpu time spent up to now is 895.1 secs Computing kpt #: 205 total cpu time spent up to now is 899.1 secs Computing kpt #: 206 total cpu time spent up to now is 903.6 secs Computing kpt #: 207 total cpu time spent up to now is 909.1 secs Computing kpt #: 208 total cpu time spent up to now is 914.2 secs Computing kpt #: 209 total cpu time spent up to now is 919.4 secs Computing kpt #: 210 total cpu time spent up to now is 924.1 secs Computing kpt #: 211 total cpu time spent up to now is 928.8 secs Computing kpt #: 212 total cpu time spent up to now is 934.0 secs Computing kpt #: 213 total cpu time spent up to now is 939.0 secs Computing kpt #: 214 total cpu time spent up to now is 943.3 secs Computing kpt #: 215 total cpu time spent up to now is 947.9 secs Computing kpt #: 216 total cpu time spent up to now is 954.3 secs Computing kpt #: 217 total cpu time spent up to now is 959.9 secs Computing kpt #: 218 total cpu time spent up to now is 964.8 secs Computing kpt #: 219 total cpu time spent up to now is 969.2 secs Computing kpt #: 220 total cpu time spent up to now is 973.7 secs Computing kpt #: 221 total cpu time spent up to now is 978.3 secs Computing kpt #: 222 total cpu time spent up to now is 982.9 secs Computing kpt #: 223 total cpu time spent up to now is 987.9 secs Computing kpt #: 224 total cpu time spent up to now is 992.7 secs Computing kpt #: 225 total cpu time spent up to now is 1000.8 secs Computing kpt #: 226 total cpu time spent up to now is 1006.0 secs Computing kpt #: 227 total cpu time spent up to now is 1011.0 secs Computing kpt #: 228 total cpu time spent up to now is 1015.2 secs Computing kpt #: 229 total cpu time spent up to now is 1020.1 secs Computing kpt #: 230 total cpu time spent up to now is 1025.1 secs Computing kpt #: 231 total cpu time spent up to now is 1029.1 secs Computing kpt #: 232 total cpu time spent up to now is 1033.1 secs Computing kpt #: 233 total cpu time spent up to now is 1038.5 secs Computing kpt #: 234 total cpu time spent up to now is 1042.5 secs Computing kpt #: 235 total cpu time spent up to now is 1047.1 secs Computing kpt #: 236 total cpu time spent up to now is 1051.6 secs Computing kpt #: 237 total cpu time spent up to now is 1056.1 secs Computing kpt #: 238 total cpu time spent up to now is 1060.3 secs Computing kpt #: 239 total cpu time spent up to now is 1066.1 secs Computing kpt #: 240 total cpu time spent up to now is 1070.8 secs Computing kpt #: 241 total cpu time spent up to now is 1076.8 secs Computing kpt #: 242 total cpu time spent up to now is 1081.2 secs Computing kpt #: 243 total cpu time spent up to now is 1085.9 secs Computing kpt #: 244 total cpu time spent up to now is 1091.0 secs Computing kpt #: 245 total cpu time spent up to now is 1096.0 secs Computing kpt #: 246 total cpu time spent up to now is 1101.5 secs Computing kpt #: 247 total cpu time spent up to now is 1105.5 secs Computing kpt #: 248 total cpu time spent up to now is 1109.8 secs Computing kpt #: 249 total cpu time spent up to now is 1114.4 secs Computing kpt #: 250 total cpu time spent up to now is 1119.0 secs Computing kpt #: 251 total cpu time spent up to now is 1124.0 secs Computing kpt #: 252 total cpu time spent up to now is 1127.9 secs Computing kpt #: 253 total cpu time spent up to now is 1132.3 secs Computing kpt #: 254 total cpu time spent up to now is 1136.3 secs Computing kpt #: 255 total cpu time spent up to now is 1140.5 secs Computing kpt #: 256 total cpu time spent up to now is 1144.8 secs Computing kpt #: 257 total cpu time spent up to now is 1148.6 secs Computing kpt #: 258 total cpu time spent up to now is 1153.4 secs Computing kpt #: 259 total cpu time spent up to now is 1157.3 secs Computing kpt #: 260 total cpu time spent up to now is 1161.7 secs Computing kpt #: 261 total cpu time spent up to now is 1165.7 secs Computing kpt #: 262 total cpu time spent up to now is 1169.5 secs Computing kpt #: 263 total cpu time spent up to now is 1173.6 secs Computing kpt #: 264 total cpu time spent up to now is 1177.6 secs Computing kpt #: 265 total cpu time spent up to now is 1181.5 secs Computing kpt #: 266 total cpu time spent up to now is 1185.6 secs Computing kpt #: 267 total cpu time spent up to now is 1189.4 secs Computing kpt #: 268 total cpu time spent up to now is 1193.4 secs Computing kpt #: 269 total cpu time spent up to now is 1198.8 secs Computing kpt #: 270 total cpu time spent up to now is 1202.7 secs Computing kpt #: 271 total cpu time spent up to now is 1206.6 secs Computing kpt #: 272 total cpu time spent up to now is 1212.2 secs Computing kpt #: 273 total cpu time spent up to now is 1216.4 secs Computing kpt #: 274 total cpu time spent up to now is 1220.7 secs Computing kpt #: 275 total cpu time spent up to now is 1224.9 secs Computing kpt #: 276 total cpu time spent up to now is 1229.2 secs Computing kpt #: 277 total cpu time spent up to now is 1233.6 secs Computing kpt #: 278 total cpu time spent up to now is 1237.7 secs Computing kpt #: 279 total cpu time spent up to now is 1242.9 secs Computing kpt #: 280 total cpu time spent up to now is 1247.3 secs Computing kpt #: 281 total cpu time spent up to now is 1251.8 secs Computing kpt #: 282 total cpu time spent up to now is 1256.2 secs Computing kpt #: 283 total cpu time spent up to now is 1260.4 secs Computing kpt #: 284 total cpu time spent up to now is 1265.9 secs Computing kpt #: 285 total cpu time spent up to now is 1270.8 secs Computing kpt #: 286 total cpu time spent up to now is 1275.5 secs Computing kpt #: 287 total cpu time spent up to now is 1280.1 secs Computing kpt #: 288 total cpu time spent up to now is 1285.3 secs ethr = 1.79E-11, avg # of iterations = 16.5 total cpu time spent up to now is 1285.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15991 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0817 -14.0817 -12.1512 -12.1512 -11.9355 -11.9355 -11.9128 -11.9128 -11.7939 -11.7939 -11.7850 -11.7850 -9.9050 -9.9050 -6.3143 -6.3143 -1.3678 -1.3678 -0.8098 -0.8098 -0.7759 -0.7759 -0.6766 -0.6766 -0.4415 -0.4415 1.0516 1.0516 1.9083 1.9083 2.4535 2.4535 2.4677 2.4677 2.5670 2.5670 2.5673 2.5673 2.7927 2.7927 3.7621 3.7621 3.7851 3.7851 3.9691 3.9691 3.9884 3.9884 4.0723 4.0723 5.1232 5.1232 5.8979 5.8979 7.3199 7.3199 7.5204 7.5204 7.9299 7.9299 7.9860 7.9860 9.0708 9.0708 k = 0.0147 0.0085-0.0000 ( 15989 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0810 -14.0810 -12.1513 -12.1505 -11.9375 -11.9373 -11.9149 -11.9148 -11.7935 -11.7928 -11.7845 -11.7845 -9.9023 -9.9023 -6.3160 -6.3160 -1.3956 -1.3412 -0.8409 -0.7980 -0.7896 -0.7758 -0.6614 -0.6587 -0.4390 -0.4387 1.0428 1.0646 1.9088 1.9093 2.4464 2.4492 2.4622 2.4623 2.5692 2.5705 2.5710 2.5718 2.7968 2.7989 3.7586 3.7613 3.7828 3.7829 3.9692 3.9692 3.9884 3.9884 4.0722 4.0722 5.1212 5.1220 5.8944 5.9078 7.3030 7.3294 7.5070 7.5242 7.9334 7.9336 7.9880 7.9881 9.0561 9.0849 k = 0.0294 0.0170-0.0000 ( 15985 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0790 -14.0790 -12.1508 -12.1492 -11.9436 -11.9433 -11.9203 -11.9202 -11.7918 -11.7905 -11.7829 -11.7829 -9.8945 -9.8945 -6.3212 -6.3211 -1.4244 -1.3161 -0.8791 -0.8281 -0.8073 -0.7608 -0.6299 -0.6189 -0.4318 -0.4297 1.0382 1.0816 1.9107 1.9117 2.4281 2.4323 2.4505 2.4518 2.5764 2.5787 2.5796 2.5815 2.8108 2.8147 3.7503 3.7561 3.7761 3.7770 3.9691 3.9692 3.9883 3.9883 4.0721 4.0721 5.1162 5.1177 5.8970 5.9241 7.2791 7.3313 7.4850 7.5187 7.9429 7.9445 7.9941 7.9947 9.0409 9.0982 k = 0.0441 0.0255-0.0000 ( 15997 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0757 -14.0757 -12.1497 -12.1473 -11.9547 -11.9543 -11.9276 -11.9272 -11.7892 -11.7873 -11.7806 -11.7805 -9.8815 -9.8815 -6.3297 -6.3297 -1.4537 -1.2929 -0.9224 -0.8567 -0.8345 -0.7453 -0.5928 -0.5726 -0.4203 -0.4134 1.0378 1.1026 1.9138 1.9154 2.4017 2.4065 2.4365 2.4397 2.5868 2.5888 2.5895 2.5924 2.8335 2.8388 3.7369 3.7461 3.7664 3.7685 3.9686 3.9687 3.9882 3.9883 4.0719 4.0720 5.1080 5.1104 5.9052 5.9466 7.2489 7.3255 7.4560 7.5049 7.9561 7.9609 8.0043 8.0061 9.0252 9.1108 k = 0.0588 0.0340-0.0000 ( 15999 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0711 -14.0711 -12.1482 -12.1449 -11.9711 -11.9706 -11.9356 -11.9348 -11.7861 -11.7840 -11.7778 -11.7772 -9.8636 -9.8636 -6.3417 -6.3416 -1.4834 -1.2718 -0.9680 -0.8831 -0.8621 -0.7349 -0.5536 -0.5249 -0.4042 -0.3891 1.0416 1.1274 1.9183 1.9203 2.3717 2.3768 2.4209 2.4259 2.5965 2.5990 2.5993 2.6051 2.8630 2.8694 3.7188 3.7306 3.7550 3.7580 3.9670 3.9671 3.9884 3.9885 4.0717 4.0717 5.0968 5.1000 5.9184 5.9750 7.2129 7.3126 7.4214 7.4844 7.9705 7.9803 8.0189 8.0233 9.0092 9.1226 k = 0.0735 0.0425-0.0000 ( 16013 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0651 -14.0651 -12.1461 -12.1419 -11.9922 -11.9917 -11.9439 -11.9426 -11.7830 -11.7811 -11.7745 -11.7733 -9.8410 -9.8410 -6.3569 -6.3568 -1.5131 -1.2532 -1.0137 -0.9078 -0.8884 -0.7297 -0.5141 -0.4774 -0.3830 -0.3568 1.0497 1.1558 1.9237 1.9264 2.3404 2.3459 2.4040 2.4106 2.6034 2.6064 2.6125 2.6192 2.8975 2.9047 3.6971 3.7105 3.7424 3.7457 3.9642 3.9643 3.9887 3.9889 4.0713 4.0713 5.0827 5.0866 5.9356 6.0087 7.1717 7.2933 7.3829 7.4588 7.9847 8.0002 8.0377 8.0466 8.9929 9.1336 k = 0.0882 0.0509-0.0000 ( 16013 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0578 -14.0578 -12.1436 -12.1383 -12.0172 -12.0165 -11.9527 -11.9507 -11.7804 -11.7789 -11.7708 -11.7688 -9.8140 -9.8139 -6.3753 -6.3752 -1.5426 -1.2376 -1.0582 -0.9312 -0.9129 -0.7294 -0.4754 -0.4304 -0.3561 -0.3176 1.0617 1.1875 1.9300 1.9333 2.3091 2.3150 2.3861 2.3942 2.6092 2.6127 2.6261 2.6339 2.9356 2.9433 3.6731 3.6874 3.7282 3.7316 3.9601 3.9601 3.9890 3.9893 4.0709 4.0709 5.0656 5.0704 5.9559 6.0471 7.1258 7.2685 7.3415 7.4293 7.9981 8.0196 8.0596 8.0754 8.9766 9.1439 k = 0.1029 0.0594-0.0000 ( 16017 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0492 -14.0492 -12.1409 -12.1344 -12.0453 -12.0445 -11.9619 -11.9592 -11.7784 -11.7773 -11.7667 -11.7640 -9.7828 -9.7827 -6.3969 -6.3968 -1.5716 -1.2258 -1.1000 -0.9533 -0.9354 -0.7334 -0.4386 -0.3833 -0.3230 -0.2734 1.0777 1.2225 1.9367 1.9407 2.2789 2.2851 2.3673 2.3768 2.6144 2.6182 2.6397 2.6485 2.9760 2.9842 3.6478 3.6624 3.7123 3.7156 3.9547 3.9547 3.9892 3.9895 4.0703 4.0704 5.0458 5.0513 5.9782 6.0894 7.0755 7.2392 7.2981 7.3968 8.0108 8.0385 8.0835 8.1082 8.9603 9.1533 k = 0.1176 0.0679-0.0000 ( 16027 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0394 -14.0394 -12.1384 -12.1306 -12.0758 -12.0747 -11.9715 -11.9678 -11.7771 -11.7762 -11.7625 -11.7591 -9.7478 -9.7478 -6.4216 -6.4214 -1.5999 -1.2206 -1.1362 -0.9741 -0.9558 -0.7409 -0.4038 -0.3357 -0.2839 -0.2258 1.0973 1.2603 1.9435 1.9481 2.2507 2.2572 2.3477 2.3583 2.6193 2.6234 2.6531 2.6628 3.0178 3.0264 3.6224 3.6369 3.6948 3.6979 3.9480 3.9482 3.9892 3.9893 4.0697 4.0698 5.0232 5.0296 6.0015 6.1349 7.0212 7.2063 7.2535 7.3622 8.0232 8.0570 8.1082 8.1436 8.9443 9.1621 k = 0.1324 0.0764-0.0000 ( 16043 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0282 -14.0282 -12.1386 -12.1298 -12.1051 -12.1043 -11.9813 -11.9765 -11.7764 -11.7757 -11.7583 -11.7545 -9.7094 -9.7093 -6.4492 -6.4490 -1.6274 -1.2292 -1.1593 -0.9937 -0.9742 -0.7512 -0.3702 -0.2871 -0.2398 -0.1765 1.1202 1.3007 1.9496 1.9550 2.2253 2.2320 2.3274 2.3389 2.6241 2.6284 2.6661 2.6766 3.0604 3.0693 3.5978 3.6117 3.6758 3.6787 3.9403 3.9405 3.9888 3.9888 4.0689 4.0692 4.9981 5.0052 6.0246 6.1829 6.9631 7.1704 7.2082 7.3260 8.0354 8.0751 8.1331 8.1808 8.9285 9.1702 k = 0.1471 0.0849-0.0000 ( 16047 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0159 -14.0158 -12.1553 -12.1516 -12.1194 -12.1135 -11.9912 -11.9852 -11.7762 -11.7756 -11.7543 -11.7501 -9.6678 -9.6677 -6.4797 -6.4795 -1.6538 -1.2548 -1.1658 -1.0120 -0.9906 -0.7637 -0.3372 -0.2373 -0.1919 -0.1265 1.1459 1.3432 1.9544 1.9604 2.2036 2.2106 2.3066 2.3184 2.6289 2.6334 2.6788 2.6898 3.1031 3.1122 3.5749 3.5878 3.6556 3.6584 3.9314 3.9318 3.9880 3.9881 4.0680 4.0684 4.9706 4.9785 6.0463 6.2327 6.9015 7.1324 7.1627 7.2893 8.0475 8.0926 8.1577 8.2193 8.9131 9.1776 k = 0.1618 0.0934-0.0000 ( 16051 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0022 -14.0022 -12.1891 -12.1876 -12.1188 -12.1092 -12.0012 -11.9936 -11.7764 -11.7760 -11.7506 -11.7462 -9.6234 -9.6233 -6.5128 -6.5126 -1.6790 -1.2880 -1.1652 -1.0288 -1.0052 -0.7779 -0.3040 -0.1864 -0.1415 -0.0765 1.1740 1.3872 1.9569 1.9634 2.1869 2.1939 2.2855 2.2971 2.6337 2.6385 2.6911 2.7025 3.1452 3.1547 3.5541 3.5659 3.6346 3.6372 3.9216 3.9222 3.9868 3.9871 4.0671 4.0675 4.9409 4.9495 6.0654 6.2836 6.8366 7.0926 7.1173 7.2527 8.0596 8.1093 8.1817 8.2588 8.8984 9.1845 k = 0.1765 0.1019-0.0000 ( 16059 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9874 -13.9874 -12.2275 -12.2266 -12.1154 -12.1031 -12.0111 -12.0016 -11.7771 -11.7767 -11.7473 -11.7427 -9.5765 -9.5764 -6.5485 -6.5482 -1.7028 -1.3226 -1.1636 -1.0437 -1.0179 -0.7935 -0.2702 -0.1346 -0.0892 -0.0271 1.2036 1.4321 1.9564 1.9631 2.1761 2.1828 2.2647 2.2751 2.6387 2.6437 2.7031 2.7147 3.1861 3.1959 3.5361 3.5464 3.6135 3.6158 3.9109 3.9116 3.9853 3.9860 4.0660 4.0665 4.9091 4.9184 6.0809 6.3349 6.7687 7.0515 7.0724 7.2171 8.0716 8.1251 8.2049 8.2990 8.8843 9.1909 k = 0.1912 0.1104-0.0000 ( 16059 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9713 -13.9713 -12.2678 -12.2672 -12.1114 -12.0964 -12.0207 -12.0089 -11.7780 -11.7776 -11.7446 -11.7397 -9.5274 -9.5273 -6.5865 -6.5863 -1.7251 -1.3568 -1.1633 -1.0562 -1.0291 -0.8100 -0.2358 -0.0822 -0.0356 0.0214 1.2339 1.4770 1.9525 1.9591 2.1715 2.1776 2.2448 2.2532 2.6437 2.6489 2.7148 2.7265 3.2247 3.2348 3.5209 3.5298 3.5930 3.5951 3.8994 3.9002 3.9836 3.9846 4.0648 4.0654 4.8754 4.8854 6.0914 6.3860 6.6981 7.0096 7.0282 7.1834 8.0835 8.1399 8.2273 8.3395 8.8710 9.1968 k = 0.2059 0.1189-0.0000 ( 16059 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9542 -13.9541 -12.3094 -12.3090 -12.1077 -12.0896 -12.0299 -12.0152 -11.7792 -11.7789 -11.7423 -11.7373 -9.4763 -9.4762 -6.6268 -6.6266 -1.7459 -1.3898 -1.1652 -1.0659 -1.0388 -0.8273 -0.2007 -0.0294 0.0186 0.0690 1.2635 1.5205 1.9454 1.9517 2.1728 2.1780 2.2267 2.2323 2.6489 2.6543 2.7265 2.7380 3.2595 3.2699 3.5086 3.5162 3.5746 3.5766 3.8873 3.8881 3.9817 3.9831 4.0636 4.0643 4.8401 4.8506 6.0960 6.4364 6.6251 6.9673 6.9848 7.1524 8.0953 8.1535 8.2487 8.3801 8.8586 9.2023 k = 0.2206 0.1274-0.0000 ( 16063 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9358 -13.9358 -12.3521 -12.3517 -12.1047 -12.0830 -12.0381 -12.0200 -11.7806 -11.7803 -11.7406 -11.7355 -9.4236 -9.4235 -6.6691 -6.6689 -1.7650 -1.4214 -1.1697 -1.0724 -1.0472 -0.8449 -0.1650 0.0233 0.0733 0.1155 1.2911 1.5610 1.9361 1.9419 2.1790 2.1832 2.2119 2.2140 2.6542 2.6598 2.7381 2.7494 3.2885 3.2988 3.4992 3.5055 3.5604 3.5626 3.8747 3.8756 3.9798 3.9815 4.0623 4.0630 4.8033 4.8145 6.0938 6.4849 6.5508 6.9251 6.9425 7.1247 8.1070 8.1659 8.2693 8.4206 8.8475 9.2073 k = 0.2353 0.1358-0.0000 ( 16059 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9164 -13.9164 -12.3954 -12.3951 -12.1028 -12.0780 -12.0442 -12.0229 -11.7822 -11.7819 -11.7395 -11.7343 -9.3695 -9.3694 -6.7133 -6.7131 -1.7824 -1.4515 -1.1767 -1.0757 -1.0547 -0.8626 -0.1289 0.0755 0.1280 0.1612 1.3151 1.5961 1.9256 1.9309 2.1886 2.1916 2.2005 2.2020 2.6595 2.6652 2.7500 2.7608 3.3085 3.3185 3.4923 3.4975 3.5533 3.5561 3.8619 3.8628 3.9778 3.9799 4.0610 4.0618 4.7654 4.7771 6.0839 6.4705 6.5357 6.8834 6.9016 7.1010 8.1185 8.1772 8.2889 8.4603 8.8378 9.2120 k = 0.2500 0.1443-0.0000 ( 16061 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8960 -13.8960 -12.4393 -12.4390 -12.1026 -12.0767 -12.0459 -12.0237 -11.7839 -11.7836 -11.7389 -11.7338 -9.3143 -9.3142 -6.7591 -6.7589 -1.7980 -1.4802 -1.1855 -1.0763 -1.0614 -0.8801 -0.0924 0.1265 0.1823 0.2063 1.3338 1.6232 1.9151 1.9199 2.1932 2.1964 2.2025 2.2038 2.6647 2.6705 2.7620 2.7723 3.3169 3.3260 3.4877 3.4921 3.5559 3.5598 3.8492 3.8502 3.9758 3.9784 4.0597 4.0606 4.7265 4.7386 6.0661 6.3929 6.5804 6.8427 6.8622 7.0813 8.1299 8.1874 8.3078 8.4989 8.8299 9.2163 k = 0.2647 0.1528-0.0000 ( 16051 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8746 -13.8746 -12.4834 -12.4832 -12.1040 -12.0803 -12.0422 -12.0221 -11.7857 -11.7854 -11.7390 -11.7338 -9.2583 -9.2581 -6.8064 -6.8061 -1.8118 -1.5075 -1.1955 -1.0749 -1.0677 -0.8971 -0.0556 0.1757 0.2361 0.2510 1.3457 1.6394 1.9054 1.9098 2.1968 2.2011 2.2153 2.2164 2.6698 2.6755 2.7743 2.7841 3.3131 3.3211 3.4851 3.4890 3.5682 3.5737 3.8372 3.8381 3.9739 3.9769 4.0585 4.0595 4.6869 4.6995 6.0402 6.3134 6.6230 6.8033 6.8251 7.0658 8.1410 8.1964 8.3260 8.5354 8.8245 9.2201 k = 0.2794 0.1613-0.0000 ( 16069 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8522 -13.8522 -12.5276 -12.5274 -12.1068 -12.0865 -12.0352 -12.0185 -11.7876 -11.7873 -11.7397 -11.7345 -9.2016 -9.2015 -6.8548 -6.8545 -1.8238 -1.5334 -1.2058 -1.0739 -1.0720 -0.9133 -0.0188 0.2225 0.2888 0.2958 1.3497 1.6432 1.8972 1.9013 2.2120 2.2138 2.2295 2.2300 2.6746 2.6803 2.7869 2.7960 3.2997 3.3065 3.4842 3.4876 3.5875 3.5945 3.8265 3.8274 3.9720 3.9754 4.0575 4.0585 4.6469 4.6598 6.0068 6.2331 6.6613 6.7656 6.7917 7.0542 8.1517 8.2043 8.3435 8.5687 8.8224 9.2235 k = 0.2941 0.1698-0.0000 ( 16069 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8291 -13.8291 -12.5717 -12.5715 -12.1107 -12.0935 -12.0267 -12.0132 -11.7895 -11.7892 -11.7410 -11.7359 -9.1446 -9.1445 -6.9041 -6.9039 -1.8340 -1.5580 -1.2160 -1.0803 -1.0681 -0.9283 0.0182 0.2664 0.3403 0.3408 1.3455 1.6344 1.8911 1.8949 2.2354 2.2380 2.2436 2.2444 2.6789 2.6845 2.7996 2.8082 3.2799 3.2857 3.4844 3.4874 3.6099 3.6181 3.8183 3.8190 3.9703 3.9741 4.0568 4.0579 4.6066 4.6199 5.9666 6.1526 6.6888 6.7298 6.7681 7.0461 8.1620 8.2113 8.3604 8.5973 8.8250 9.2265 k = 0.3088 0.1783-0.0000 ( 16073 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8052 -13.8051 -12.6154 -12.6153 -12.1153 -12.1008 -12.0175 -12.0067 -11.7914 -11.7911 -11.7428 -11.7378 -9.0876 -9.0875 -6.9541 -6.9539 -1.8423 -1.5814 -1.2256 -1.0873 -1.0635 -0.9419 0.0551 0.3071 0.3857 0.3900 1.3336 1.6146 1.8875 1.8911 2.2558 2.2569 2.2657 2.2765 2.6827 2.6881 2.8125 2.8203 3.2564 3.2615 3.4854 3.4882 3.6315 3.6406 3.8140 3.8148 3.9686 3.9727 4.0566 4.0577 4.5663 4.5799 5.9206 6.0724 6.6886 6.6958 6.7715 7.0410 8.1719 8.2174 8.3769 8.6196 8.8334 9.2288 k = 0.3235 0.1868-0.0000 ( 16089 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.7806 -13.7806 -12.6587 -12.6585 -12.1202 -12.1078 -12.0079 -11.9993 -11.7932 -11.7929 -11.7451 -11.7403 -9.0309 -9.0308 -7.0044 -7.0041 -1.8488 -1.6037 -1.2344 -1.0952 -1.0584 -0.9538 0.0920 0.3449 0.4301 0.4377 1.3150 1.5862 1.8868 1.8902 2.2678 2.2691 2.3034 2.3210 2.6858 2.6909 2.8252 2.8324 3.2310 3.2355 3.4867 3.4894 3.6492 3.6586 3.8157 3.8168 3.9668 3.9713 4.0570 4.0581 4.5263 4.5400 5.8700 5.9931 6.6638 6.6662 6.7962 7.0381 8.1811 8.2226 8.3930 8.6348 8.8485 9.2305 k = 0.3382 0.1953-0.0000 ( 16093 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.7556 -13.7556 -12.7011 -12.7010 -12.1251 -12.1146 -11.9982 -11.9913 -11.7950 -11.7947 -11.7480 -11.7433 -8.9748 -8.9747 -7.0546 -7.0544 -1.8536 -1.6249 -1.2420 -1.1043 -1.0530 -0.9638 0.1288 0.3797 0.4733 0.4829 1.2911 1.5516 1.8892 1.8924 2.2779 2.2795 2.3470 2.3709 2.6882 2.6928 2.8377 2.8442 3.2051 3.2091 3.4881 3.4908 3.6607 3.6697 3.8247 3.8267 3.9650 3.9697 4.0582 4.0593 4.4867 4.5006 5.8162 5.9152 6.6339 6.6391 6.8250 7.0370 8.1898 8.2271 8.4087 8.6430 8.8697 9.2315 k = 0.3529 0.2038-0.0000 ( 16097 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.7303 -13.7302 -12.7426 -12.7425 -12.1299 -12.1209 -11.9885 -11.9830 -11.7967 -11.7964 -11.7513 -11.7467 -8.9198 -8.9197 -7.1043 -7.1041 -1.8566 -1.6452 -1.2485 -1.1145 -1.0474 -0.9718 0.1655 0.4118 0.5147 0.5252 1.2637 1.5127 1.8949 1.8979 2.2858 2.2876 2.3951 2.4238 2.6898 2.6938 2.8496 2.8554 3.1795 3.1831 3.4894 3.4920 3.6658 3.6740 3.8409 3.8442 3.9631 3.9679 4.0603 4.0614 4.4478 4.4617 5.7605 5.8395 6.6061 6.6120 6.8532 7.0371 8.1977 8.2308 8.4242 8.6455 8.8955 9.2315 k = 0.3676 0.2123-0.0000 ( 16107 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.7048 -13.7048 -12.7829 -12.7828 -12.1345 -12.1268 -11.9789 -11.9745 -11.7984 -11.7981 -11.7549 -11.7506 -8.8664 -8.8663 -7.1531 -7.1529 -1.8579 -1.6646 -1.2535 -1.1258 -1.0419 -0.9781 0.2021 0.4410 0.5538 0.5645 1.2343 1.4712 1.9040 1.9068 2.2910 2.2928 2.4458 2.4780 2.6907 2.6939 2.8606 2.8656 3.1550 3.1581 3.4903 3.4930 3.6662 3.6734 3.8625 3.8672 3.9609 3.9657 4.0634 4.0645 4.4096 4.4235 5.7043 5.7666 6.5805 6.5864 6.8795 7.0378 8.2050 8.2339 8.4394 8.6440 8.9239 9.2306 k = 0.3824 0.2208-0.0000 ( 16095 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.6796 -13.6796 -12.8215 -12.8214 -12.1387 -12.1321 -11.9695 -11.9661 -11.7999 -11.7996 -11.7588 -11.7548 -8.8150 -8.8149 -7.2004 -7.2002 -1.8575 -1.6832 -1.2571 -1.1380 -1.0364 -0.9830 0.2383 0.4671 0.5901 0.6002 1.2046 1.4283 1.9164 1.9191 2.2930 2.2947 2.4978 2.5321 2.6910 2.6933 2.8704 2.8745 3.1321 3.1348 3.4908 3.4935 3.6639 3.6701 3.8874 3.8934 3.9584 3.9632 4.0675 4.0685 4.3723 4.3861 5.6489 5.6975 6.5572 6.5627 6.9036 7.0387 8.2115 8.2365 8.4544 8.6396 8.9535 9.2285 k = 0.3971 0.2292-0.0000 ( 16077 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.6549 -13.6549 -12.8581 -12.8580 -12.1425 -12.1370 -11.9604 -11.9579 -11.8013 -11.8009 -11.7629 -11.7592 -8.7663 -8.7662 -7.2455 -7.2453 -1.8556 -1.7010 -1.2592 -1.1506 -1.0310 -0.9866 0.2743 0.4895 0.6232 0.6322 1.1761 1.3848 1.9320 1.9345 2.2914 2.2930 2.5494 2.5847 2.6911 2.6920 2.8786 2.8817 3.1112 3.1136 3.4910 3.4935 3.6604 3.6659 3.9140 3.9210 3.9558 3.9604 4.0724 4.0734 4.3360 4.3497 5.5956 5.6329 6.5363 6.5412 6.9255 7.0395 8.2173 8.2385 8.4691 8.6333 8.9833 9.2250 k = 0.4118 0.2377-0.0000 ( 16061 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.6312 -13.6312 -12.8922 -12.8921 -12.1458 -12.1412 -11.9520 -11.9501 -11.8025 -11.8022 -11.7670 -11.7637 -8.7211 -8.7210 -7.2876 -7.2874 -1.8521 -1.7180 -1.2597 -1.1635 -1.0259 -0.9895 0.3097 0.5075 0.6529 0.6603 1.1505 1.3418 1.9504 1.9527 2.2860 2.2874 2.5990 2.6348 2.6905 2.6917 2.8848 2.8866 3.0927 3.0948 3.4907 3.4932 3.6569 3.6615 3.9414 3.9487 3.9530 3.9579 4.0779 4.0789 4.3008 4.3144 5.5457 5.5739 6.5180 6.5222 6.9452 7.0398 8.2225 8.2401 8.4835 8.6256 9.0124 9.2202 k = 0.4265 0.2462-0.0000 ( 16061 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.6090 -13.6090 -12.9232 -12.9232 -12.1487 -12.1449 -11.9442 -11.9429 -11.8036 -11.8032 -11.7710 -11.7681 -8.6803 -8.6802 -7.3259 -7.3257 -1.8472 -1.7343 -1.2586 -1.1763 -1.0211 -0.9918 0.3443 0.5204 0.6788 0.6843 1.1295 1.2998 1.9711 1.9731 2.2769 2.2780 2.6437 2.6811 2.6893 2.6947 2.8884 2.8887 3.0769 3.0786 3.4902 3.4925 3.6537 3.6576 3.9503 3.9536 3.9691 3.9784 4.0837 4.0848 4.2669 4.2802 5.5006 5.5214 6.5022 6.5058 6.9627 7.0394 8.2269 8.2411 8.4976 8.6168 9.0404 9.2137 k = 0.4412 0.2547-0.0000 ( 16055 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5891 -13.5891 -12.9504 -12.9504 -12.1509 -12.1480 -11.9373 -11.9365 -11.8044 -11.8041 -11.7746 -11.7722 -8.6447 -8.6447 -7.3593 -7.3592 -1.8409 -1.7498 -1.2560 -1.1887 -1.0166 -0.9939 0.3779 0.5274 0.7005 0.7041 1.1146 1.2597 1.9931 1.9948 2.2647 2.2655 2.6728 2.6874 2.7099 2.7240 2.8876 2.8891 3.0638 3.0652 3.4896 3.4915 3.6512 3.6543 3.9478 3.9507 3.9967 4.0067 4.0893 4.0905 4.2341 4.2470 5.4617 5.4765 6.4892 6.4920 6.9781 7.0381 8.2307 8.2418 8.5114 8.6073 9.0668 9.2055 k = 0.4559 0.2632-0.0000 ( 16051 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5722 -13.5722 -12.9730 -12.9730 -12.1527 -12.1505 -11.9316 -11.9311 -11.8051 -11.8049 -11.7777 -11.7759 -8.6156 -8.6155 -7.3869 -7.3868 -1.8333 -1.7645 -1.2519 -1.2006 -1.0125 -0.9958 0.4100 0.5278 0.7177 0.7196 1.1072 1.2222 2.0151 2.0166 2.2505 2.2510 2.6805 2.6863 2.7425 2.7614 2.8828 2.8864 3.0536 3.0547 3.4890 3.4905 3.6494 3.6517 3.9457 3.9480 4.0242 4.0349 4.0942 4.0957 4.2026 4.2151 5.4300 5.4401 6.4791 6.4812 6.9915 7.0357 8.2338 8.2420 8.5249 8.5970 9.0914 9.1954 k = 0.4706 0.2717-0.0000 ( 16043 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5592 -13.5592 -12.9900 -12.9900 -12.1538 -12.1524 -11.9274 -11.9271 -11.8056 -11.8054 -11.7800 -11.7788 -8.5938 -8.5937 -7.4075 -7.4074 -1.8244 -1.7784 -1.2464 -1.2118 -1.0088 -0.9979 0.4399 0.5215 0.7301 0.7309 1.1081 1.1881 2.0352 2.0362 2.2362 2.2364 2.6825 2.6854 2.7758 2.7928 2.8744 2.8800 3.0464 3.0471 3.4885 3.4895 3.6482 3.6498 3.9441 3.9458 4.0513 4.0627 4.0981 4.1000 4.1726 4.1843 5.4069 5.4131 6.4719 6.4733 7.0030 7.0321 8.2364 8.2418 8.5380 8.5862 9.1140 9.1833 k = 0.4853 0.2802-0.0000 ( 16031 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5511 -13.5510 -13.0006 -13.0006 -12.1544 -12.1537 -11.9247 -11.9245 -11.8059 -11.8058 -11.7814 -11.7808 -8.5803 -8.5803 -7.4203 -7.4202 -1.8145 -1.7914 -1.2396 -1.2222 -1.0056 -1.0001 0.4670 0.5087 0.7375 0.7377 1.1175 1.1586 2.0500 2.0505 2.2249 2.2250 2.6834 2.6847 2.8038 2.8160 2.8641 2.8703 3.0421 3.0424 3.4882 3.4888 3.6478 3.6486 3.9433 3.9442 4.0772 4.0889 4.1008 4.1036 4.1452 4.1552 5.3931 5.3960 6.4676 6.4683 7.0127 7.0272 8.2385 8.2411 8.5507 8.5748 9.1345 9.1692 k = 0.5000 0.2887-0.0000 ( 16028 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5482 -13.5482 -13.0043 -13.0043 -12.1543 -12.1543 -11.9237 -11.9237 -11.8060 -11.8060 -11.7817 -11.7817 -8.5757 -8.5757 -7.4246 -7.4246 -1.8034 -1.8034 -1.2314 -1.2314 -1.0027 -1.0027 0.4902 0.4902 0.7400 0.7400 1.1346 1.1346 2.0558 2.0558 2.2205 2.2205 2.6841 2.6841 2.8213 2.8213 2.8610 2.8610 3.0408 3.0408 3.4884 3.4884 3.6479 3.6479 3.9433 3.9433 4.0952 4.0952 4.1077 4.1077 4.1329 4.1329 5.3894 5.3894 6.4665 6.4665 7.0208 7.0208 8.2401 8.2401 8.5630 8.5630 9.1529 9.1529 k = 0.5000 0.2887-0.0000 ( 16028 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5482 -13.5482 -13.0043 -13.0043 -12.1543 -12.1543 -11.9237 -11.9237 -11.8060 -11.8060 -11.7817 -11.7817 -8.5757 -8.5757 -7.4246 -7.4246 -1.8034 -1.8034 -1.2314 -1.2314 -1.0027 -1.0027 0.4902 0.4902 0.7400 0.7400 1.1346 1.1346 2.0558 2.0558 2.2205 2.2205 2.6841 2.6841 2.8213 2.8213 2.8610 2.8610 3.0408 3.0408 3.4884 3.4884 3.6479 3.6479 3.9433 3.9433 4.0952 4.0952 4.1077 4.1077 4.1329 4.1329 5.3894 5.3894 6.4665 6.4665 7.0208 7.0208 8.2401 8.2401 8.5630 8.5630 9.1529 9.1529 k = 0.4917 0.3031-0.0000 ( 16022 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5476 -13.5475 -13.0049 -13.0047 -12.1559 -12.1549 -11.9239 -11.9233 -11.8100 -11.8057 -11.7807 -11.7778 -8.5742 -8.5740 -7.4263 -7.4261 -1.8062 -1.7996 -1.2390 -1.2238 -1.0181 -0.9879 0.4774 0.5039 0.7350 0.7447 1.1327 1.1347 2.0543 2.0552 2.2204 2.2208 2.6835 2.6860 2.8216 2.8228 2.8632 2.8639 3.0401 3.0416 3.4841 3.4869 3.6500 3.6521 3.9404 3.9423 4.0915 4.0986 4.1024 4.1132 4.1335 4.1351 5.3822 5.3975 6.4378 6.4895 6.9995 7.0347 8.2102 8.2744 8.5508 8.5786 9.1474 9.1581 k = 0.4833 0.3175-0.0000 ( 16038 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5455 -13.5454 -13.0067 -13.0063 -12.1594 -12.1576 -11.9238 -11.9226 -11.8156 -11.8090 -11.7753 -11.7715 -8.5694 -8.5689 -7.4313 -7.4309 -1.8079 -1.7946 -1.2466 -1.2158 -1.0337 -0.9742 0.4654 0.5182 0.7297 0.7490 1.1288 1.1329 2.0511 2.0528 2.2207 2.2215 2.6844 2.6892 2.8237 2.8260 2.8704 2.8718 3.0395 3.0426 3.4751 3.4802 3.6581 3.6618 3.9337 3.9374 4.0877 4.0956 4.1035 4.1186 4.1367 4.1402 5.3759 5.4066 6.4039 6.5069 6.9718 7.0407 8.1855 8.3125 8.5424 8.5973 9.1415 9.1629 k = 0.4750 0.3320-0.0000 ( 16064 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5419 -13.5418 -13.0097 -13.0091 -12.1649 -12.1622 -11.9235 -11.9216 -11.8214 -11.8136 -11.7678 -11.7641 -8.5613 -8.5606 -7.4396 -7.4389 -1.8084 -1.7887 -1.2548 -1.2073 -1.0491 -0.9618 0.4546 0.5329 0.7240 0.7532 1.1232 1.1293 2.0462 2.0487 2.2211 2.2223 2.6866 2.6937 2.8276 2.8308 2.8822 2.8845 3.0390 3.0437 3.4630 3.4697 3.6706 3.6752 3.9238 3.9295 4.0839 4.0898 4.1074 4.1236 4.1419 4.1475 5.3705 5.4164 6.3653 6.5185 6.9385 7.0384 8.1664 8.3533 8.5377 8.6187 9.1354 9.1672 k = 0.4667 0.3464-0.0000 ( 16076 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5370 -13.5368 -13.0138 -13.0130 -12.1721 -12.1687 -11.9229 -11.9204 -11.8268 -11.8183 -11.7595 -11.7563 -8.5500 -8.5491 -7.4510 -7.4500 -1.8078 -1.7817 -1.2638 -1.1983 -1.0636 -0.9511 0.4450 0.5480 0.7182 0.7574 1.1157 1.1239 2.0401 2.0430 2.2219 2.2233 2.6901 2.6993 2.8331 2.8370 2.8983 2.9016 3.0388 3.0448 3.4493 3.4571 3.6859 3.6909 3.9117 3.9192 4.0804 4.0841 4.1113 4.1283 4.1484 4.1562 5.3660 5.4270 6.3224 6.5247 6.9008 7.0277 8.1531 8.3959 8.5370 8.6421 9.1291 9.1710 k = 0.4583 0.3608-0.0000 ( 16072 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5306 -13.5304 -13.0192 -13.0182 -12.1806 -12.1767 -11.9221 -11.9189 -11.8318 -11.8227 -11.7511 -11.7483 -8.5355 -8.5344 -7.4655 -7.4644 -1.8062 -1.7740 -1.2742 -1.1888 -1.0768 -0.9423 0.4368 0.5632 0.7122 0.7616 1.1064 1.1168 2.0329 2.0363 2.2227 2.2244 2.6947 2.7060 2.8399 2.8445 2.9182 2.9223 3.0388 3.0461 3.4351 3.4435 3.7027 3.7076 3.8982 3.9075 4.0771 4.0786 4.1152 4.1326 4.1555 4.1656 5.3622 5.4380 6.2760 6.5258 6.8596 7.0092 8.1453 8.4395 8.5399 8.6671 9.1227 9.1743 k = 0.4500 0.3753-0.0000 ( 16074 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5229 -13.5226 -13.0259 -13.0247 -12.1903 -12.1860 -11.9209 -11.9172 -11.8362 -11.8267 -11.7427 -11.7404 -8.5179 -8.5166 -7.4832 -7.4818 -1.8034 -1.7654 -1.2862 -1.1786 -1.0881 -0.9355 0.4300 0.5784 0.7062 0.7661 1.0955 1.1082 2.0252 2.0287 2.2237 2.2255 2.7005 2.7136 2.8480 2.8530 2.9412 2.9461 3.0392 3.0476 3.4212 3.4299 3.7199 3.7245 3.8839 3.8950 4.0735 4.0744 4.1188 4.1366 4.1628 4.1749 5.3589 5.4491 6.2269 6.5223 6.8158 6.9834 8.1424 8.4832 8.5462 8.6933 9.1164 9.1770 k = 0.4417 0.3897-0.0000 ( 16072 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5137 -13.5134 -13.0338 -13.0326 -12.2008 -12.1962 -11.9196 -11.9152 -11.8401 -11.8304 -11.7347 -11.7329 -8.4972 -8.4958 -7.5038 -7.5023 -1.7997 -1.7561 -1.3001 -1.1680 -1.0972 -0.9309 0.4247 0.5934 0.7005 0.7711 1.0829 1.0981 2.0173 2.0208 2.2248 2.2267 2.7072 2.7219 2.8568 2.8622 2.9666 2.9720 3.0403 3.0493 3.4080 3.4170 3.7369 3.7409 3.8694 3.8822 4.0692 4.0725 4.1222 4.1402 4.1697 4.1839 5.3560 5.4601 6.1759 6.5151 6.7704 6.9516 8.1437 8.5262 8.5555 8.7201 9.1101 9.1791 k = 0.4333 0.4041-0.0000 ( 16074 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5032 -13.5028 -13.0432 -13.0419 -12.2117 -12.2070 -11.9180 -11.9130 -11.8436 -11.8337 -11.7270 -11.7257 -8.4736 -8.4720 -7.5274 -7.5257 -1.7949 -1.7463 -1.3160 -1.1568 -1.1040 -0.9285 0.4209 0.6083 0.6953 0.7768 1.0688 1.0866 2.0094 2.0129 2.2258 2.2277 2.7147 2.7308 2.8659 2.8714 2.9936 2.9989 3.0428 3.0514 3.3961 3.4050 3.7529 3.7562 3.8553 3.8697 4.0658 4.0716 4.1253 4.1434 4.1761 4.1920 5.3534 5.4703 6.1242 6.5050 6.7243 6.9147 8.1485 8.5674 8.5677 8.7472 9.1040 9.1804 k = 0.4250 0.4186-0.0000 ( 16082 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4912 -13.4908 -13.0540 -13.0526 -12.2227 -12.2180 -11.9161 -11.9106 -11.8468 -11.8367 -11.7200 -11.7190 -8.4471 -8.4454 -7.5537 -7.5520 -1.7892 -1.7361 -1.3338 -1.1453 -1.1083 -0.9284 0.4185 0.6228 0.6907 0.7834 1.0532 1.0740 2.0019 2.0051 2.2268 2.2287 2.7229 2.7401 2.8748 2.8801 3.0214 3.0239 3.0491 3.0544 3.3856 3.3943 3.7674 3.7699 3.8419 3.8579 4.0638 4.0719 4.1281 4.1463 4.1815 4.1990 5.3509 5.4790 6.0728 6.4929 6.6784 6.8740 8.1557 8.5813 8.6069 8.7743 9.0984 9.1810 k = 0.4167 0.4330-0.0000 ( 16090 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4779 -13.4774 -13.0663 -13.0648 -12.2336 -12.2291 -11.9140 -11.9079 -11.8496 -11.8395 -11.7136 -11.7128 -8.4178 -8.4160 -7.5829 -7.5810 -1.7827 -1.7256 -1.3531 -1.1336 -1.1106 -0.9305 0.4173 0.6369 0.6871 0.7910 1.0363 1.0603 1.9949 1.9978 2.2278 2.2295 2.7317 2.7497 2.8828 2.8876 3.0398 3.0489 3.0588 3.0663 3.3768 3.3851 3.7799 3.7817 3.8296 3.8471 4.0633 4.0737 4.1307 4.1488 4.1860 4.2047 5.3482 5.4855 6.0230 6.4798 6.6335 6.8307 8.1645 8.5968 8.6429 8.8014 9.0934 9.1808 k = 0.4083 0.4474-0.0000 ( 16090 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4632 -13.4627 -13.0802 -13.0787 -12.2441 -12.2397 -11.9116 -11.9049 -11.8523 -11.8421 -11.7079 -11.7074 -8.3859 -8.3839 -7.6146 -7.6126 -1.7753 -1.7151 -1.3734 -1.1218 -1.1109 -0.9346 0.4172 0.6507 0.6847 0.7996 1.0182 1.0458 1.9885 1.9911 2.2286 2.2302 2.7409 2.7595 2.8892 2.8929 3.0491 3.0629 3.0774 3.0913 3.3696 3.3775 3.7900 3.7911 3.8189 3.8377 4.0646 4.0771 4.1330 4.1509 4.1892 4.2090 5.3454 5.4886 5.9764 6.4666 6.5906 6.7860 8.1743 8.6132 8.6749 8.8283 9.0891 9.1797 k = 0.4000 0.4619-0.0000 ( 16076 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4472 -13.4466 -13.0956 -13.0941 -12.2539 -12.2499 -11.9091 -11.9018 -11.8548 -11.8447 -11.7029 -11.7025 -8.3514 -8.3494 -7.6489 -7.6468 -1.7673 -1.7048 -1.3944 -1.1101 -1.1097 -0.9405 0.4181 0.6641 0.6835 0.8092 0.9991 1.0305 1.9829 1.9852 2.2295 2.2309 2.7504 2.7693 2.8935 2.8957 3.0587 3.0705 3.1028 3.1168 3.3642 3.3714 3.7972 3.7979 3.8103 3.8301 4.0680 4.0822 4.1350 4.1527 4.1912 4.2118 5.3424 5.4874 5.9345 6.4542 6.5505 6.7408 8.1845 8.6301 8.7022 8.8550 9.0858 9.1777 k = 0.3917 0.4763-0.0000 ( 16060 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4298 -13.4291 -13.1125 -13.1111 -12.2628 -12.2592 -11.9063 -11.8985 -11.8573 -11.8473 -11.6986 -11.6984 -8.3145 -8.3124 -7.6855 -7.6834 -1.7586 -1.6950 -1.4153 -1.1072 -1.0988 -0.9480 0.4197 0.6773 0.6839 0.8198 0.9790 1.0146 1.9782 1.9800 2.2302 2.2314 2.7601 2.7792 2.8952 2.8956 3.0703 3.0799 3.1261 3.1402 3.3603 3.3667 3.7995 3.8019 3.8058 3.8248 4.0733 4.0889 4.1367 4.1542 4.1919 4.2130 5.3394 5.4809 5.8986 6.4433 6.5141 6.6961 8.1944 8.6471 8.7242 8.8813 9.0835 9.1746 k = 0.3833 0.4907-0.0000 ( 16060 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4111 -13.4104 -13.1311 -13.1297 -12.2708 -12.2675 -11.9034 -11.8950 -11.8597 -11.8498 -11.6950 -11.6949 -8.2753 -8.2731 -7.7244 -7.7223 -1.7494 -1.6862 -1.4357 -1.1037 -1.0881 -0.9567 0.4218 0.6858 0.6903 0.8310 0.9583 0.9985 1.9742 1.9757 2.2310 2.2319 2.7701 2.7890 2.8928 2.8941 3.0838 3.0912 3.1463 3.1605 3.3578 3.3634 3.7961 3.8031 3.8068 3.8217 4.0805 4.0970 4.1382 4.1554 4.1914 4.2125 5.3365 5.4686 5.8698 6.4346 6.4822 6.6530 8.2037 8.6638 8.7407 8.9070 9.0826 9.1704 k = 0.3750 0.5052-0.0000 ( 16048 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.3910 -13.3903 -13.1511 -13.1498 -12.2775 -12.2748 -11.9003 -11.8913 -11.8622 -11.8525 -11.6921 -11.6921 -8.2339 -8.2318 -7.7655 -7.7633 -1.7397 -1.6788 -1.4548 -1.0993 -1.0785 -0.9661 0.4243 0.6892 0.7030 0.8428 0.9373 0.9821 1.9710 1.9722 2.2317 2.2324 2.7801 2.7988 2.8877 2.8906 3.0989 3.1040 3.1627 3.1766 3.3564 3.3612 3.7933 3.8025 3.8070 3.8203 4.0892 4.1061 4.1393 4.1565 4.1895 4.2104 5.3341 5.4512 5.8480 6.4284 6.4555 6.6122 8.2121 8.6799 8.7517 8.9313 9.0831 9.1651 k = 0.3667 0.5196-0.0000 ( 16043 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.3697 -13.3689 -13.1726 -13.1714 -12.2831 -12.2809 -11.8971 -11.8875 -11.8648 -11.8554 -11.6899 -11.6899 -8.1906 -8.1884 -7.8086 -7.8064 -1.7296 -1.6736 -1.4719 -1.0943 -1.0704 -0.9757 0.4270 0.6941 0.7151 0.8548 0.9167 0.9659 1.9686 1.9695 2.2324 2.2329 2.7902 2.8085 2.8808 2.8850 3.1149 3.1180 3.1747 3.1879 3.3560 3.3598 3.7922 3.8014 3.8060 3.8195 4.0988 4.1157 4.1401 4.1574 4.1865 4.2067 5.3328 5.4301 5.8326 6.4248 6.4348 6.5748 8.2193 8.6952 8.7578 8.9532 9.0854 9.1585 k = 0.3583 0.5340-0.0000 ( 16055 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.3471 -13.3463 -13.1955 -13.1944 -12.2873 -12.2856 -11.8938 -11.8836 -11.8675 -11.8585 -11.6883 -11.6883 -8.1453 -8.1431 -7.8535 -7.8515 -1.7192 -1.6713 -1.4859 -1.0887 -1.0647 -0.9844 0.4296 0.7004 0.7258 0.8668 0.8974 0.9498 1.9668 1.9674 2.2331 2.2334 2.8001 2.8183 2.8727 2.8777 3.1312 3.1324 3.1820 3.1937 3.3562 3.3590 3.7926 3.8005 3.8040 3.8188 4.1090 4.1253 4.1406 4.1587 4.1825 4.2012 5.3332 5.4074 5.8222 6.4205 6.4235 6.5419 8.2251 8.7093 8.7595 8.9716 9.0898 9.1506 k = 0.3500 0.5485-0.0000 ( 16045 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.3233 -13.3224 -13.2197 -13.2186 -12.2903 -12.2891 -11.8907 -11.8796 -11.8702 -11.8617 -11.6873 -11.6872 -8.0984 -8.0962 -7.9002 -7.8983 -1.7086 -1.6727 -1.4961 -1.0826 -1.0622 -0.9913 0.4319 0.7082 0.7333 0.8788 0.8814 0.9341 1.9657 1.9660 2.2337 2.2339 2.8096 2.8280 2.8643 2.8692 3.1467 3.1472 3.1843 3.1938 3.3567 3.3586 3.7940 3.7997 3.8016 3.8184 4.1187 4.1336 4.1407 4.1612 4.1780 4.1941 5.3360 5.3854 5.8156 6.4126 6.4232 6.5153 8.2293 8.7222 8.7574 8.9854 9.0967 9.1413 k = 0.3417 0.5629-0.0000 ( 16039 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.2983 -13.2973 -13.2449 -13.2440 -12.2919 -12.2913 -11.8881 -11.8758 -11.8725 -11.8650 -11.6866 -11.6866 -8.0501 -8.0478 -7.9483 -7.9466 -1.6979 -1.6780 -1.5021 -1.0761 -1.0638 -0.9953 0.4336 0.7173 0.7348 0.8706 0.8912 0.9190 1.9650 1.9652 2.2342 2.2342 2.8176 2.8374 2.8569 2.8602 3.1603 3.1625 3.1814 3.1881 3.3574 3.3583 3.7958 3.7990 3.7994 3.8181 4.1265 4.1388 4.1406 4.1665 4.1742 4.1854 5.3419 5.3663 5.8119 6.4112 6.4215 6.4977 8.2319 8.7337 8.7520 8.9936 9.1065 9.1307 k = 0.3333 0.5774-0.0000 ( 16017 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.2756 -13.2738 -13.2677 -13.2677 -12.2923 -12.2923 -11.8869 -11.8736 -11.8736 -11.8670 -11.6864 -11.6864 -8.0083 -8.0043 -7.9901 -7.9901 -1.6872 -1.6872 -1.5039 -1.0692 -1.0692 -0.9964 0.4342 0.7278 0.7278 0.8672 0.9045 0.9045 1.9649 1.9649 2.2344 2.2344 2.8211 2.8435 2.8539 2.8539 3.1705 3.1757 3.1757 3.1772 3.3579 3.3579 3.7967 3.7986 3.7986 3.8180 4.1297 4.1405 4.1405 4.1732 4.1732 4.1768 5.3516 5.3516 5.8107 6.4159 6.4159 6.4918 8.2328 8.7438 8.7438 8.9962 9.1185 9.1185 k = 0.3333 0.5774-0.0000 ( 16017 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.2756 -13.2738 -13.2677 -13.2677 -12.2923 -12.2923 -11.8869 -11.8736 -11.8736 -11.8670 -11.6864 -11.6864 -8.0083 -8.0043 -7.9901 -7.9901 -1.6872 -1.6872 -1.5039 -1.0692 -1.0692 -0.9964 0.4342 0.7278 0.7278 0.8672 0.9045 0.9045 1.9649 1.9649 2.2344 2.2344 2.8211 2.8435 2.8539 2.8539 3.1705 3.1757 3.1757 3.1772 3.3579 3.3579 3.7967 3.7986 3.7986 3.8180 4.1297 4.1405 4.1405 4.1732 4.1732 4.1768 5.3516 5.3516 5.8107 6.4159 6.4159 6.4918 8.2328 8.7438 8.7438 8.9962 9.1185 9.1185 k = 0.3248 0.5625-0.0000 ( 16031 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.3000 -13.2990 -13.2431 -13.2422 -12.2919 -12.2913 -11.8883 -11.8760 -11.8724 -11.8647 -11.6866 -11.6866 -8.0528 -8.0505 -7.9456 -7.9439 -1.6996 -1.6762 -1.5023 -1.0776 -1.0618 -0.9956 0.4334 0.7120 0.7404 0.8697 0.8904 0.9205 1.9651 1.9652 2.2341 2.2341 2.8175 2.8369 2.8579 2.8599 3.1588 3.1594 3.1848 3.1890 3.3574 3.3583 3.7967 3.7983 3.7992 3.8181 4.1266 4.1396 4.1396 4.1624 4.1776 4.1861 5.3427 5.3663 5.8120 6.4072 6.4265 6.4969 8.2318 8.7330 8.7527 8.9937 9.1046 9.1322 k = 0.3162 0.5477-0.0000 ( 16051 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.3288 -13.3280 -13.2137 -13.2128 -12.2903 -12.2891 -11.8918 -11.8807 -11.8695 -11.8605 -11.6871 -11.6871 -8.1066 -8.1046 -7.8919 -7.8902 -1.7141 -1.6652 -1.4980 -1.0875 -1.0540 -0.9940 0.4304 0.6897 0.7549 0.8741 0.8771 0.9403 1.9656 1.9659 2.2332 2.2333 2.8095 2.8267 2.8661 2.8689 3.1360 3.1416 3.1937 3.1991 3.3565 3.3583 3.7975 3.7979 3.7994 3.8190 4.1183 4.1371 4.1373 4.1484 4.1864 4.1981 5.3408 5.3861 5.8160 6.3990 6.4422 6.5092 8.2290 8.7201 8.7601 8.9866 9.0890 9.1462 k = 0.3077 0.5329-0.0000 ( 16055 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.3583 -13.3576 -13.1831 -13.1821 -12.2875 -12.2857 -11.8964 -11.8862 -11.8657 -11.8560 -11.6879 -11.6878 -8.1619 -8.1601 -7.8368 -7.8351 -1.7296 -1.6545 -1.4921 -1.0978 -1.0459 -0.9924 0.4248 0.6631 0.7710 0.8650 0.8772 0.9649 1.9667 1.9670 2.2315 2.2317 2.8001 2.8164 2.8748 2.8770 3.1092 3.1201 3.2001 3.2064 3.3556 3.3581 3.7966 3.7967 3.8016 3.8213 4.1065 4.1321 4.1341 4.1343 4.1977 4.2110 5.3464 5.4113 5.8228 6.3939 6.4623 6.5260 8.2244 8.7056 8.7661 8.9756 9.0719 9.1598 k = 0.2991 0.5181-0.0000 ( 16063 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.3884 -13.3878 -13.1513 -13.1502 -12.2836 -12.2812 -11.9019 -11.8923 -11.8616 -11.8514 -11.6888 -11.6887 -8.2184 -8.2167 -7.7807 -7.7791 -1.7455 -1.6439 -1.4850 -1.1078 -1.0373 -0.9912 0.4164 0.6337 0.7873 0.8556 0.8774 0.9941 1.9681 1.9686 2.2286 2.2290 2.7905 2.8062 2.8812 2.8825 3.0804 3.0967 3.2038 3.2107 3.3546 3.3578 3.7936 3.7938 3.8067 3.8258 4.0921 4.1151 4.1292 4.1308 4.2103 4.2247 5.3596 5.4421 5.8329 6.3931 6.4860 6.5457 8.2180 8.6895 8.7709 8.9611 9.0533 9.1724 k = 0.2906 0.5033-0.0000 ( 16057 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4189 -13.4184 -13.1183 -13.1172 -12.2786 -12.2757 -11.9080 -11.8990 -11.8573 -11.8466 -11.6898 -11.6898 -8.2760 -8.2744 -7.7238 -7.7222 -1.7612 -1.6335 -1.4773 -1.1172 -1.0283 -0.9907 0.4049 0.6023 0.7978 0.8546 0.8743 1.0272 1.9701 1.9705 2.2244 2.2250 2.7810 2.7963 2.8817 2.8828 3.0535 3.0743 3.2045 3.2116 3.3538 3.3574 3.7892 3.7896 3.8140 3.8328 4.0754 4.0960 4.1242 4.1268 4.2241 4.2392 5.3802 5.4784 5.8464 6.3968 6.5125 6.5671 8.2098 8.6721 8.7745 8.9433 9.0331 9.1839 k = 0.2821 0.4885-0.0000 ( 16067 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4497 -13.4492 -13.0842 -13.0831 -12.2726 -12.2692 -11.9146 -11.9062 -11.8528 -11.8419 -11.6910 -11.6910 -8.3345 -8.3331 -7.6661 -7.6647 -1.7762 -1.6234 -1.4692 -1.1256 -1.0189 -0.9907 0.3905 0.5694 0.7949 0.8679 0.8692 1.0637 1.9726 1.9730 2.2188 2.2197 2.7716 2.7865 2.8705 2.8740 3.0347 3.0572 3.2023 3.2094 3.3534 3.3572 3.7837 3.7842 3.8234 3.8420 4.0568 4.0752 4.1186 4.1223 4.2390 4.2548 5.4076 5.5200 5.8634 6.4052 6.5413 6.5896 8.2000 8.6536 8.7771 8.9226 9.0114 9.1941 k = 0.2735 0.4737-0.0000 ( 16061 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.4806 -13.4802 -13.0490 -13.0479 -12.2658 -12.2617 -11.9217 -11.9139 -11.8483 -11.8372 -11.6923 -11.6923 -8.3938 -8.3925 -7.6079 -7.6066 -1.7903 -1.6135 -1.4609 -1.1328 -1.0090 -0.9914 0.3731 0.5352 0.7821 0.8580 0.8954 1.1029 1.9758 1.9759 2.2115 2.2128 2.7618 2.7767 2.8439 2.8525 3.0283 3.0491 3.1975 3.2043 3.3536 3.3573 3.7776 3.7781 3.8346 3.8531 4.0363 4.0528 4.1128 4.1175 4.2553 4.2717 5.4413 5.5664 5.8839 6.4179 6.5717 6.6125 8.1886 8.6342 8.7788 8.8990 8.9883 9.2029 k = 0.2650 0.4589-0.0000 ( 16063 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5115 -13.5112 -13.0129 -13.0117 -12.2581 -12.2535 -11.9292 -11.9220 -11.8438 -11.8325 -11.6937 -11.6936 -8.4538 -8.4526 -7.5494 -7.5481 -1.8032 -1.6038 -1.4525 -1.1389 -0.9987 -0.9926 0.3532 0.4999 0.7643 0.8448 0.9276 1.1444 1.9795 1.9797 2.2027 2.2044 2.7508 2.7665 2.8045 2.8185 3.0331 3.0506 3.1903 3.1967 3.3544 3.3579 3.7711 3.7717 3.8473 3.8657 4.0140 4.0288 4.1067 4.1125 4.2732 4.2901 5.4804 5.6173 5.9079 6.4348 6.6032 6.6353 8.1759 8.6138 8.7800 8.8729 8.9638 9.2103 k = 0.2564 0.4441-0.0000 ( 16059 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5423 -13.5420 -12.9757 -12.9746 -12.2497 -12.2445 -11.9371 -11.9306 -11.8393 -11.8278 -11.6951 -11.6950 -8.5144 -8.5133 -7.4905 -7.4894 -1.8147 -1.5941 -1.4440 -1.1437 -0.9941 -0.9879 0.3310 0.4636 0.7430 0.8281 0.9635 1.1879 1.9837 1.9844 2.1923 2.1945 2.7327 2.7556 2.7625 2.7748 3.0448 3.0591 3.1811 3.1869 3.3561 3.3593 3.7647 3.7654 3.8610 3.8793 3.9899 4.0032 4.1007 4.1074 4.2928 4.3102 5.5240 5.6722 5.9350 6.4552 6.6355 6.6575 8.1621 8.5926 8.7807 8.8444 8.9379 9.2165 k = 0.2479 0.4293-0.0000 ( 16053 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5729 -13.5726 -12.9377 -12.9365 -12.2407 -12.2349 -11.9454 -11.9396 -11.8348 -11.8232 -11.6966 -11.6965 -8.5755 -8.5745 -7.4316 -7.4306 -1.8247 -1.5844 -1.4354 -1.1473 -0.9959 -0.9767 0.3068 0.4264 0.7188 0.8080 1.0019 1.2327 1.9885 1.9902 2.1806 2.1834 2.6899 2.7241 2.7390 2.7439 3.0603 3.0720 3.1703 3.1755 3.3589 3.3617 3.7587 3.7595 3.8752 3.8934 3.9643 3.9762 4.0949 4.1023 4.3145 4.3322 5.5714 5.7306 5.9652 6.4787 6.6681 6.6787 8.1473 8.5708 8.7812 8.8139 8.9108 9.2214 k = 0.2393 0.4145-0.0000 ( 16057 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.6031 -13.6029 -12.8988 -12.8975 -12.2310 -12.2246 -11.9540 -11.9489 -11.8303 -11.8187 -11.6982 -11.6980 -8.6369 -8.6361 -7.3727 -7.3718 -1.8330 -1.5746 -1.4267 -1.1498 -0.9976 -0.9650 0.2808 0.3884 0.6916 0.7844 1.0421 1.2786 1.9940 1.9969 2.1677 2.1712 2.6342 2.6694 2.7242 2.7304 3.0780 3.0876 3.1582 3.1628 3.3630 3.3654 3.7535 3.7543 3.8892 3.9074 3.9376 3.9479 4.0892 4.0975 4.3383 4.3563 5.6216 5.7921 5.9983 6.5045 6.6985 6.7007 8.1320 8.5483 8.7815 8.7817 8.8825 9.2252 k = 0.2308 0.3997-0.0000 ( 16057 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.6330 -13.6328 -12.8590 -12.8578 -12.2209 -12.2139 -11.9628 -11.9585 -11.8259 -11.8143 -11.6998 -11.6995 -8.6987 -8.6979 -7.3139 -7.3132 -1.8396 -1.5645 -1.4176 -1.1512 -0.9993 -0.9530 0.2533 0.3497 0.6615 0.7575 1.0832 1.3249 2.0001 2.0047 2.1540 2.1582 2.5763 2.6120 2.7092 2.7153 3.0967 3.1043 3.1452 3.1487 3.3688 3.3708 3.7493 3.7501 3.8973 3.9133 3.9149 3.9262 4.0840 4.0929 4.3644 4.3826 5.6737 5.8563 6.0339 6.5319 6.7168 6.7331 8.1163 8.5253 8.7477 8.7823 8.8531 9.2279 k = 0.2222 0.3849-0.0000 ( 16061 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.6624 -13.6622 -12.8186 -12.8173 -12.2103 -12.2026 -11.9717 -11.9683 -11.8215 -11.8100 -11.7015 -11.7012 -8.7605 -8.7598 -7.2555 -7.2549 -1.8443 -1.5540 -1.4083 -1.1518 -1.0006 -0.9407 0.2245 0.3102 0.6285 0.7272 1.1244 1.3711 2.0064 2.0135 2.1397 2.1446 2.5187 2.5536 2.6927 2.6984 3.1157 3.1186 3.1337 3.1340 3.3766 3.3781 3.7464 3.7472 3.8746 3.8850 3.9210 3.9367 4.0792 4.0886 4.3928 4.4110 5.7268 5.9227 6.0720 6.5597 6.7338 6.7649 8.1008 8.5017 8.7126 8.7833 8.8225 9.2297 k = 0.2137 0.3701-0.0000 ( 16061 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.6912 -13.6911 -12.7774 -12.7761 -12.1993 -12.1909 -11.9807 -11.9783 -11.8173 -11.8058 -11.7033 -11.7030 -8.8224 -8.8218 -7.1976 -7.1970 -1.8472 -1.5429 -1.3985 -1.1517 -1.0014 -0.9280 0.1947 0.2701 0.5926 0.6936 1.1649 1.4167 2.0127 2.0229 2.1252 2.1309 2.4637 2.4956 2.6745 2.6796 3.1112 3.1170 3.1351 3.1436 3.3863 3.3874 3.7450 3.7458 3.8437 3.8527 3.9334 3.9491 4.0749 4.0848 4.4235 4.4417 5.7800 5.9909 6.1124 6.5863 6.7500 6.7962 8.0857 8.4778 8.6767 8.7844 8.7913 9.2306 k = 0.2051 0.3553-0.0000 ( 16049 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.7193 -13.7192 -12.7357 -12.7344 -12.1881 -12.1789 -11.9897 -11.9884 -11.8131 -11.8018 -11.7052 -11.7049 -8.8842 -8.8837 -7.1402 -7.1397 -1.8481 -1.5310 -1.3881 -1.1512 -1.0015 -0.9151 0.1639 0.2294 0.5539 0.6568 1.2036 1.4607 2.0182 2.0325 2.1107 2.1171 2.4133 2.4398 2.6546 2.6592 3.0948 3.0996 3.1536 3.1607 3.3982 3.3988 3.7453 3.7461 3.8110 3.8193 3.9453 3.9608 4.0711 4.0813 4.4563 4.4743 5.8323 6.0605 6.1550 6.6096 6.7668 6.8268 8.0715 8.4535 8.6401 8.7582 8.7870 9.2307 k = 0.1966 0.3405-0.0000 ( 16041 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.7468 -13.7467 -12.6934 -12.6921 -12.1768 -12.1666 -11.9986 -11.9984 -11.8091 -11.7979 -11.7073 -11.7069 -8.9459 -8.9455 -7.0836 -7.0832 -1.8470 -1.5182 -1.3770 -1.1503 -1.0010 -0.9020 0.1323 0.1883 0.5124 0.6169 1.2394 1.5024 2.0221 2.0409 2.0966 2.1036 2.3698 2.3885 2.6333 2.6373 3.0766 3.0810 3.1713 3.1777 3.4120 3.4122 3.7476 3.7482 3.7773 3.7851 3.9562 3.9712 4.0679 4.0783 4.4910 4.5087 5.8826 6.1313 6.1998 6.6269 6.7860 6.8568 8.0585 8.4290 8.6031 8.7248 8.7898 9.2301 k = 0.1880 0.3257-0.0000 ( 16047 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.7734 -13.7733 -12.6507 -12.6494 -12.1653 -12.1540 -12.0085 -12.0072 -11.8052 -11.7942 -11.7095 -11.7091 -9.0073 -9.0069 -7.0278 -7.0276 -1.8439 -1.5043 -1.3651 -1.1493 -0.9995 -0.8889 0.1001 0.1467 0.4684 0.5740 1.2711 1.5405 2.0232 2.0463 2.0830 2.0906 2.3357 2.3450 2.6108 2.6143 3.0570 3.0613 3.1878 3.1940 3.4274 3.4277 3.7429 3.7471 3.7518 3.7554 3.9660 3.9805 4.0652 4.0757 4.5274 4.5447 5.9297 6.2028 6.2469 6.6358 6.8095 6.8862 8.0470 8.4043 8.5660 8.6905 8.7934 9.2288 k = 0.1795 0.3109-0.0000 ( 16047 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.7992 -13.7991 -12.6076 -12.6063 -12.1541 -12.1413 -12.0184 -12.0154 -11.8015 -11.7907 -11.7118 -11.7114 -9.0682 -9.0679 -6.9731 -6.9729 -1.8388 -1.4892 -1.3524 -1.1483 -0.9971 -0.8756 0.0674 0.1048 0.4220 0.5283 1.2972 1.5737 2.0212 2.0461 2.0701 2.0781 2.3132 2.3134 2.5876 2.5906 3.0364 3.0405 3.2028 3.2091 3.4442 3.4449 3.7083 3.7141 3.7581 3.7594 3.9747 3.9885 4.0632 4.0735 4.5650 4.5818 5.9728 6.2748 6.2964 6.6355 6.8376 6.9152 8.0372 8.3796 8.5291 8.6553 8.7980 9.2270 k = 0.1709 0.2961-0.0000 ( 16073 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8241 -13.8241 -12.5643 -12.5630 -12.1431 -12.1286 -12.0281 -12.0230 -11.7980 -11.7875 -11.7144 -11.7140 -9.1286 -9.1283 -6.9196 -6.9195 -1.8317 -1.4727 -1.3386 -1.1474 -0.9939 -0.8623 0.0344 0.0628 0.3734 0.4801 1.3164 1.6000 2.0166 2.0388 2.0580 2.0662 2.2971 2.3030 2.5641 2.5666 3.0147 3.0187 3.2159 3.2225 3.4624 3.4635 3.6739 3.6793 3.7663 3.7676 3.9821 3.9951 4.0617 4.0717 4.6037 4.6199 6.0107 6.3467 6.3482 6.6265 6.8696 6.9442 8.0292 8.3549 8.4925 8.6193 8.8035 9.2247 k = 0.1624 0.2813-0.0000 ( 16077 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8481 -13.8480 -12.5209 -12.5196 -12.1328 -12.1159 -12.0375 -12.0297 -11.7947 -11.7844 -11.7171 -11.7167 -9.1882 -9.1881 -6.8674 -6.8674 -1.8225 -1.4548 -1.3236 -1.1467 -0.9896 -0.8492 0.0011 0.0206 0.3228 0.4295 1.3273 1.6170 2.0117 2.0269 2.0465 2.0549 2.2962 2.3039 2.5407 2.5428 2.9921 2.9959 3.2266 3.2339 3.4816 3.4831 3.6405 3.6454 3.7765 3.7777 3.9884 4.0005 4.0609 4.0703 4.6430 4.6585 6.0427 6.4021 6.4176 6.6106 6.9043 6.9733 8.0230 8.3303 8.4563 8.5826 8.8101 9.2219 k = 0.1538 0.2665-0.0000 ( 16077 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8711 -13.8710 -12.4775 -12.4761 -12.1236 -12.1036 -12.0462 -12.0350 -11.7915 -11.7816 -11.7201 -11.7197 -9.2471 -9.2469 -6.8167 -6.8167 -1.8113 -1.4353 -1.3075 -1.1463 -0.9846 -0.8362 -0.0323 -0.0217 0.2704 0.3768 1.3293 1.6221 2.0093 2.0160 2.0356 2.0442 2.3077 2.3140 2.5180 2.5195 2.9686 2.9724 3.2343 3.2424 3.5017 3.5034 3.6090 3.6135 3.7884 3.7896 3.9936 4.0045 4.0605 4.0692 4.6825 4.6973 6.0683 6.4579 6.4846 6.5917 6.9405 7.0030 8.0186 8.3060 8.4207 8.5453 8.8176 9.2187 k = 0.1453 0.2517-0.0000 ( 16069 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.8930 -13.8930 -12.4342 -12.4329 -12.1161 -12.0924 -12.0536 -12.0382 -11.7886 -11.7790 -11.7232 -11.7229 -9.3049 -9.3048 -6.7676 -6.7676 -1.7981 -1.4142 -1.2900 -1.1462 -0.9786 -0.8234 -0.0656 -0.0637 0.2164 0.3222 1.3226 1.6137 2.0111 2.0118 2.0257 2.0340 2.3274 2.3306 2.4963 2.4973 2.9445 2.9481 3.2381 3.2473 3.5222 3.5242 3.5808 3.5850 3.8018 3.8029 3.9977 4.0074 4.0607 4.0685 4.7220 4.7360 6.0871 6.5152 6.5239 6.5940 6.9774 7.0336 8.0157 8.2820 8.3857 8.5073 8.8262 9.2151 k = 0.1368 0.2369-0.0000 ( 16067 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9139 -13.9139 -12.3912 -12.3898 -12.1112 -12.0846 -12.0572 -12.0385 -11.7860 -11.7768 -11.7267 -11.7264 -9.3615 -9.3615 -6.7204 -6.7203 -1.7830 -1.3915 -1.2711 -1.1466 -0.9720 -0.8109 -0.1056 -0.0987 0.1612 0.2660 1.3079 1.5924 2.0121 2.0194 2.0200 2.0243 2.3517 2.3520 2.4761 2.4766 2.9198 2.9232 3.2368 3.2469 3.5427 3.5448 3.5582 3.5621 3.8164 3.8175 4.0007 4.0092 4.0613 4.0680 4.7610 4.7742 6.0991 6.5049 6.5736 6.6490 7.0146 7.0653 8.0140 8.2583 8.3514 8.4687 8.8358 9.2111 k = 0.1282 0.2221-0.0000 ( 16061 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9337 -13.9337 -12.3487 -12.3473 -12.1093 -12.0844 -12.0531 -12.0356 -11.7836 -11.7748 -11.7303 -11.7301 -9.4168 -9.4168 -6.6750 -6.6749 -1.7659 -1.3672 -1.2507 -1.1474 -0.9646 -0.7988 -0.1470 -0.1315 0.1050 0.2086 1.2869 1.5608 2.0054 2.0148 2.0297 2.0340 2.3756 2.3792 2.4578 2.4579 2.8946 2.8978 3.2290 3.2399 3.5404 3.5447 3.5649 3.5672 3.8318 3.8329 4.0029 4.0100 4.0622 4.0678 4.7992 4.8116 6.1044 6.4683 6.6326 6.7163 7.0516 7.0984 8.0132 8.2349 8.3177 8.4297 8.8464 9.2066 k = 0.1197 0.2073-0.0000 ( 16055 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9523 -13.9523 -12.3068 -12.3054 -12.1099 -12.0894 -12.0433 -12.0298 -11.7816 -11.7732 -11.7342 -11.7340 -9.4705 -9.4705 -6.6317 -6.6315 -1.7471 -1.3414 -1.2288 -1.1486 -0.9565 -0.7872 -0.1880 -0.1638 0.0480 0.1501 1.2614 1.5222 1.9968 2.0056 2.0487 2.0531 2.4008 2.4072 2.4413 2.4422 2.8691 2.8721 3.2139 3.2252 3.5321 3.5374 3.5854 3.5881 3.8478 3.8488 4.0041 4.0100 4.0633 4.0678 4.8363 4.8478 6.1034 6.4261 6.6917 6.7847 7.0881 7.1328 8.0128 8.2119 8.2847 8.3902 8.8579 9.2018 k = 0.1111 0.1925-0.0000 ( 16049 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9698 -13.9698 -12.2659 -12.2644 -12.1124 -12.0960 -12.0318 -12.0218 -11.7799 -11.7719 -11.7383 -11.7382 -9.5224 -9.5224 -6.5906 -6.5904 -1.7265 -1.3143 -1.2053 -1.1501 -0.9478 -0.7761 -0.2282 -0.1954 -0.0096 0.0910 1.2332 1.4796 1.9882 1.9963 2.0727 2.0765 2.4226 2.4263 2.4327 2.4360 2.8432 2.8460 3.1915 3.2028 3.5319 3.5387 3.6060 3.6088 3.8640 3.8649 4.0045 4.0093 4.0645 4.0680 4.8720 4.8827 6.0965 6.3804 6.7506 6.8525 7.1239 7.1686 8.0127 8.1891 8.2524 8.3505 8.8703 9.1966 k = 0.1026 0.1776-0.0000 ( 16057 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.9861 -13.9861 -12.2262 -12.2245 -12.1157 -12.1026 -12.0199 -12.0125 -11.7785 -11.7710 -11.7426 -11.7426 -9.5723 -9.5722 -6.5518 -6.5516 -1.7043 -1.2863 -1.1801 -1.1518 -0.9384 -0.7659 -0.2677 -0.2262 -0.0674 0.0315 1.2038 1.4350 1.9796 1.9871 2.1001 2.1032 2.4156 2.4166 2.4534 2.4620 2.8173 2.8197 3.1629 3.1740 3.5393 3.5478 3.6261 3.6291 3.8800 3.8808 4.0042 4.0080 4.0657 4.0683 4.9062 4.9160 6.0844 6.3325 6.8088 6.9190 7.1588 7.2054 8.0122 8.1666 8.2207 8.3107 8.8836 9.1909 k = 0.0940 0.1628-0.0000 ( 16051 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0011 -14.0011 -12.1884 -12.1862 -12.1188 -12.1087 -12.0080 -12.0025 -11.7776 -11.7705 -11.7472 -11.7470 -9.6198 -9.6198 -6.5155 -6.5154 -1.6805 -1.2589 -1.1531 -1.1524 -0.9283 -0.7565 -0.3062 -0.2561 -0.1251 -0.0280 1.1747 1.3901 1.9710 1.9778 2.1299 2.1325 2.4074 2.4091 2.4771 2.4866 2.7913 2.7934 3.1296 3.1402 3.5531 3.5632 3.6457 3.6488 3.8955 3.8962 4.0033 4.0062 4.0668 4.0687 4.9384 4.9474 6.0681 6.2833 6.8662 6.9836 7.1928 7.2431 8.0112 8.1442 8.1897 8.2708 8.8977 9.1846 k = 0.0855 0.1480-0.0000 ( 16043 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0150 -14.0150 -12.1550 -12.1507 -12.1192 -12.1130 -11.9963 -11.9922 -11.7771 -11.7704 -11.7519 -11.7517 -9.6648 -9.6648 -6.4819 -6.4817 -1.6553 -1.2349 -1.1492 -1.1245 -0.9174 -0.7483 -0.3436 -0.2850 -0.1824 -0.0870 1.1469 1.3458 1.9624 1.9685 2.1616 2.1640 2.4022 2.4045 2.4993 2.5088 2.7653 2.7671 3.0929 3.1031 3.5718 3.5835 3.6646 3.6678 3.9101 3.9108 4.0018 4.0040 4.0678 4.0692 4.9686 4.9767 6.0484 6.2336 6.9223 7.0459 7.2257 7.2811 8.0093 8.1219 8.1595 8.2312 8.9124 9.1779 k = 0.0769 0.1332-0.0000 ( 16027 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0275 -14.0275 -12.1385 -12.1294 -12.1047 -12.1044 -11.9849 -11.9818 -11.7771 -11.7709 -11.7568 -11.7564 -9.7069 -9.7069 -6.4510 -6.4509 -1.6289 -1.2204 -1.1366 -1.0941 -0.9058 -0.7414 -0.3799 -0.3131 -0.2386 -0.1450 1.1211 1.3030 1.9540 1.9594 2.1947 2.1970 2.4001 2.4027 2.5193 2.5284 2.7396 2.7410 3.0542 3.0638 3.5942 3.6071 3.6825 3.6858 3.9237 3.9242 3.9998 4.0016 4.0687 4.0696 4.9965 5.0038 6.0263 6.1845 6.9769 7.1052 7.2577 7.3191 8.0063 8.0996 8.1302 8.1922 8.9277 9.1705 k = 0.0684 0.1184-0.0000 ( 16015 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0388 -14.0388 -12.1383 -12.1303 -12.0756 -12.0750 -11.9739 -11.9717 -11.7776 -11.7719 -11.7617 -11.7611 -9.7458 -9.7458 -6.4230 -6.4229 -1.6013 -1.2183 -1.1118 -1.0619 -0.8932 -0.7362 -0.4150 -0.3417 -0.2921 -0.2013 1.0981 1.2623 1.9457 1.9504 2.2288 2.2313 2.4009 2.4037 2.5367 2.5451 2.7142 2.7152 3.0143 3.0235 3.6189 3.6327 3.6995 3.7028 3.9359 3.9363 3.9975 3.9989 4.0696 4.0701 5.0219 5.0284 6.0029 6.1367 7.0296 7.1606 7.2892 7.3563 8.0020 8.0771 8.1022 8.1540 8.9435 9.1624 k = 0.0598 0.1036-0.0000 ( 16013 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0488 -14.0488 -12.1408 -12.1342 -12.0454 -12.0450 -11.9635 -11.9619 -11.7788 -11.7736 -11.7664 -11.7658 -9.7812 -9.7812 -6.3980 -6.3979 -1.5729 -1.2250 -1.0788 -1.0280 -0.8796 -0.7331 -0.4492 -0.3757 -0.3375 -0.2550 1.0784 1.2242 1.9379 1.9418 2.2636 2.2663 2.4044 2.4074 2.5512 2.5586 2.6894 2.6899 2.9744 2.9830 3.6449 3.6591 3.7153 3.7187 3.9465 3.9467 3.9950 3.9961 4.0703 4.0706 5.0447 5.0504 5.9794 6.0911 7.0800 7.2105 7.3207 7.3922 7.9963 8.0540 8.0763 8.1174 8.9596 9.1537 k = 0.0513 0.0888-0.0000 ( 16003 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0575 -14.0575 -12.1435 -12.1382 -12.0174 -12.0171 -11.9536 -11.9525 -11.7807 -11.7760 -11.7708 -11.7701 -9.8128 -9.8127 -6.3761 -6.3760 -1.5437 -1.2370 -1.0413 -0.9925 -0.8650 -0.7327 -0.4829 -0.4213 -0.3682 -0.3047 1.0622 1.1889 1.9306 1.9339 2.2987 2.3018 2.4105 2.4134 2.5627 2.5691 2.6653 2.6654 2.9351 2.9432 3.6709 3.6849 3.7298 3.7333 3.9552 3.9552 3.9926 3.9934 4.0708 4.0710 5.0649 5.0697 5.9568 6.0485 7.1276 7.2531 7.3532 7.4259 7.9891 8.0300 8.0534 8.0830 8.9760 9.1442 k = 0.0427 0.0740-0.0000 ( 16001 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0649 -14.0649 -12.1460 -12.1417 -11.9925 -11.9921 -11.9444 -11.9437 -11.7832 -11.7794 -11.7745 -11.7741 -9.8402 -9.8401 -6.3574 -6.3573 -1.5141 -1.2527 -1.0013 -0.9553 -0.8493 -0.7352 -0.5170 -0.4722 -0.3901 -0.3485 1.0500 1.1568 1.9240 1.9267 2.3338 2.3371 2.4187 2.4214 2.5710 2.5762 2.6419 2.6421 2.8977 2.9051 3.6957 3.7090 3.7431 3.7465 3.9617 3.9618 3.9905 3.9911 4.0713 4.0713 5.0821 5.0861 5.9362 6.0098 7.1720 7.2865 7.3875 7.4566 7.9801 8.0056 8.0337 8.0521 8.9924 9.1340 k = 0.0342 0.0592-0.0000 ( 15997 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0709 -14.0709 -12.1481 -12.1448 -11.9714 -11.9710 -11.9358 -11.9354 -11.7862 -11.7833 -11.7777 -11.7776 -9.8631 -9.8630 -6.3420 -6.3419 -1.4842 -1.2713 -0.9600 -0.9167 -0.8325 -0.7414 -0.5525 -0.5235 -0.4075 -0.3846 1.0418 1.1281 1.9184 1.9205 2.3679 2.3716 2.4287 2.4310 2.5756 2.5797 2.6197 2.6204 2.8634 2.8700 3.7180 3.7298 3.7552 3.7582 3.9661 3.9662 3.9890 3.9895 4.0717 4.0717 5.0965 5.0997 5.9188 5.9758 7.2125 7.3102 7.4225 7.4832 7.9691 7.9822 8.0172 8.0263 9.0087 9.1229 k = 0.0256 0.0444-0.0000 ( 15997 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0756 -14.0756 -12.1497 -12.1473 -11.9549 -11.9545 -11.9277 -11.9276 -11.7892 -11.7871 -11.7805 -11.7805 -9.8812 -9.8812 -6.3300 -6.3299 -1.4543 -1.2925 -0.9184 -0.8770 -0.8145 -0.7514 -0.5899 -0.5732 -0.4215 -0.4115 1.0378 1.1031 1.9139 1.9155 2.3999 2.4038 2.4398 2.4414 2.5764 2.5795 2.5997 2.6007 2.8339 2.8393 3.7365 3.7457 3.7663 3.7684 3.9683 3.9685 3.9883 3.9886 4.0719 4.0719 5.1078 5.1102 5.9055 5.9471 7.2484 7.3249 7.4558 7.5043 7.9561 7.9613 8.0039 8.0072 9.0249 9.1110 k = 0.0171 0.0296-0.0000 ( 15981 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0790 -14.0790 -12.1508 -12.1492 -11.9437 -11.9434 -11.9203 -11.9203 -11.7918 -11.7904 -11.7829 -11.7829 -9.8944 -9.8943 -6.3213 -6.3212 -1.4247 -1.3158 -0.8780 -0.8373 -0.7957 -0.7657 -0.6275 -0.6198 -0.4321 -0.4291 1.0382 1.0819 1.9107 1.9117 2.4274 2.4314 2.4513 2.4519 2.5736 2.5758 2.5830 2.5840 2.8110 2.8150 3.7502 3.7560 3.7760 3.7769 3.9691 3.9692 3.9882 3.9883 4.0721 4.0721 5.1161 5.1176 5.8971 5.9243 7.2788 7.3312 7.4848 7.5185 7.9432 7.9445 7.9941 7.9949 9.0407 9.0984 k = 0.0085 0.0148-0.0000 ( 15995 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0810 -14.0810 -12.1513 -12.1505 -11.9375 -11.9373 -11.9149 -11.9149 -11.7935 -11.7928 -11.7845 -11.7845 -9.9023 -9.9023 -6.3161 -6.3160 -1.3958 -1.3410 -0.8410 -0.8009 -0.7842 -0.7787 -0.6607 -0.6589 -0.4390 -0.4386 1.0428 1.0647 1.9088 1.9093 2.4463 2.4491 2.4621 2.4622 2.5690 2.5703 2.5714 2.5720 2.7968 2.7989 3.7586 3.7613 3.7827 3.7829 3.9692 3.9692 3.9884 3.9884 4.0722 4.0722 5.1212 5.1220 5.8944 5.9079 7.3029 7.3295 7.5069 7.5242 7.9335 7.9337 7.9880 7.9881 9.0560 9.0850 k = 0.0000 0.0000 0.0000 ( 15991 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0817 -14.0817 -12.1512 -12.1512 -11.9355 -11.9355 -11.9128 -11.9128 -11.7939 -11.7939 -11.7850 -11.7850 -9.9050 -9.9050 -6.3143 -6.3143 -1.3678 -1.3678 -0.8098 -0.8098 -0.7759 -0.7759 -0.6766 -0.6766 -0.4415 -0.4415 1.0516 1.0516 1.9083 1.9083 2.4535 2.4535 2.4677 2.4677 2.5670 2.5670 2.5673 2.5673 2.7927 2.7927 3.7621 3.7621 3.7851 3.7851 3.9691 3.9691 3.9884 3.9884 4.0723 4.0723 5.1232 5.1232 5.8979 5.8979 7.3199 7.3199 7.5204 7.5204 7.9299 7.9299 7.9860 7.9860 9.0708 9.0708 k = 0.0000 0.0000 0.0000 ( 15991 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -14.0817 -14.0817 -12.1512 -12.1512 -11.9355 -11.9355 -11.9128 -11.9128 -11.7939 -11.7939 -11.7850 -11.7850 -9.9050 -9.9050 -6.3143 -6.3143 -1.3678 -1.3678 -0.8098 -0.8098 -0.7759 -0.7759 -0.6766 -0.6766 -0.4415 -0.4415 1.0516 1.0516 1.9083 1.9083 2.4535 2.4535 2.4677 2.4677 2.5670 2.5670 2.5673 2.5673 2.7927 2.7927 3.7621 3.7621 3.7851 3.7851 3.9691 3.9691 3.9884 3.9884 4.0723 4.0723 5.1232 5.1232 5.8979 5.8979 7.3199 7.3199 7.5204 7.5204 7.9299 7.9299 7.9860 7.9860 9.0708 9.0708 k = 0.0000 0.0000 0.0171 ( 16009 PWs) bands (ev): -38.9979 -38.9979 -38.9621 -38.9621 -14.0809 -14.0809 -12.1539 -12.1537 -11.9429 -11.9279 -11.9197 -11.9057 -11.8020 -11.7924 -11.7859 -11.7777 -9.9015 -9.9015 -6.3168 -6.3167 -1.4037 -1.3348 -0.8594 -0.8539 -0.7577 -0.7574 -0.6913 -0.5936 -0.5240 -0.3577 1.0489 1.0514 1.9093 1.9096 2.4082 2.4220 2.4990 2.5136 2.5299 2.5300 2.6045 2.6050 2.7932 2.7940 3.7513 3.7733 3.7760 3.7948 3.9680 3.9706 3.9875 3.9896 4.0709 4.0711 5.1184 5.1206 5.8980 5.9060 7.2327 7.4041 7.4312 7.6080 7.8365 7.8903 8.0209 8.0790 9.0647 9.0738 k = 0.0000 0.0000 0.0342 ( 15991 PWs) bands (ev): -38.9979 -38.9979 -38.9622 -38.9622 -14.0786 -14.0786 -12.1620 -12.1616 -11.9501 -11.9264 -11.9201 -11.8984 -11.8103 -11.7999 -11.7780 -11.7705 -9.8913 -9.8913 -6.3242 -6.3241 -1.4431 -1.3040 -0.9416 -0.8890 -0.8368 -0.6975 -0.6057 -0.6052 -0.5089 -0.2729 1.0433 1.0483 1.9125 1.9132 2.3634 2.3768 2.4933 2.4934 2.5448 2.5596 2.6422 2.6428 2.7954 2.7972 3.7408 3.7674 3.7849 3.8050 3.9671 3.9723 3.9869 3.9912 4.0671 4.0675 5.1067 5.1110 5.9057 5.9223 7.1428 7.3410 7.4851 7.6937 7.7408 7.7923 8.1094 8.1693 9.0553 9.0736 k = 0.0000 0.0000 0.0513 ( 15991 PWs) bands (ev): -38.9978 -38.9978 -38.9623 -38.9623 -14.0747 -14.0747 -12.1752 -12.1747 -11.9571 -11.9328 -11.9121 -11.8909 -11.8186 -11.8075 -11.7702 -11.7635 -9.8744 -9.8744 -6.3364 -6.3362 -1.4862 -1.2744 -1.0223 -0.9149 -0.9138 -0.6848 -0.6312 -0.5195 -0.4224 -0.1872 1.0348 1.0423 1.9180 1.9191 2.3192 2.3321 2.4572 2.4576 2.5905 2.6056 2.6799 2.6807 2.7995 2.8022 3.7307 3.7592 3.7970 3.8157 3.9665 3.9744 3.9865 3.9931 4.0608 4.0614 5.0887 5.0950 5.9200 5.9463 7.0502 7.2503 7.5627 7.6431 7.6921 7.7772 8.1951 8.2567 9.0428 9.0704 k = 0.0000 0.0000 0.0683 ( 16015 PWs) bands (ev): -38.9976 -38.9976 -38.9624 -38.9624 -14.0694 -14.0693 -12.1933 -12.1927 -11.9639 -11.9389 -11.9040 -11.8833 -11.8270 -11.8152 -11.7627 -11.7566 -9.8511 -9.8511 -6.3534 -6.3531 -1.5325 -1.2452 -1.1016 -0.9887 -0.9319 -0.7629 -0.5595 -0.4327 -0.3344 -0.1007 1.0234 1.0337 1.9258 1.9271 2.2758 2.2881 2.4220 2.4227 2.6360 2.6514 2.7174 2.7185 2.8053 2.8089 3.7209 3.7516 3.8096 3.8271 3.9660 3.9767 3.9864 3.9953 4.0523 4.0529 5.0652 5.0734 5.9394 5.9771 6.9553 7.1600 7.5435 7.5899 7.6367 7.8582 8.2780 8.3409 9.0270 9.0644 k = 0.0000 0.0000 0.0854 ( 16003 PWs) bands (ev): -38.9974 -38.9974 -38.9626 -38.9626 -14.0624 -14.0624 -12.2160 -12.2154 -11.9704 -11.9448 -11.8956 -11.8755 -11.8354 -11.8228 -11.7554 -11.7499 -9.8217 -9.8217 -6.3750 -6.3748 -1.5814 -1.2158 -1.1791 -1.0612 -0.9407 -0.8392 -0.4833 -0.3456 -0.2450 -0.0137 1.0091 1.0225 1.9356 1.9373 2.2333 2.2449 2.3879 2.3889 2.6811 2.6968 2.7547 2.7559 2.8127 2.8174 3.7113 3.7444 3.8227 3.8390 3.9657 3.9794 3.9864 3.9980 4.0415 4.0423 5.0372 5.0472 5.9621 6.0140 6.8581 7.0710 7.4421 7.4859 7.7069 7.9364 8.3579 8.4220 9.0081 9.0558 k = 0.0000 0.0000 0.1025 ( 15991 PWs) bands (ev): -38.9971 -38.9971 -38.9629 -38.9629 -14.0539 -14.0539 -12.2429 -12.2423 -11.9766 -11.9504 -11.8871 -11.8676 -11.8438 -11.8305 -11.7483 -11.7434 -9.7866 -9.7866 -6.4013 -6.4010 -1.6322 -1.2549 -1.1856 -1.1315 -0.9421 -0.9137 -0.4034 -0.2586 -0.1543 0.0735 0.9922 1.0090 1.9476 1.9496 2.1918 2.2027 2.3551 2.3563 2.7256 2.7417 2.7916 2.7929 2.8217 2.8275 3.7019 3.7376 3.8364 3.8515 3.9654 3.9821 3.9867 4.0011 4.0290 4.0297 5.0057 5.0173 5.9857 6.0561 6.7590 6.9849 7.3393 7.3804 7.7730 8.0117 8.4348 8.4996 8.9861 9.0449 k = 0.0000 0.0000 0.1196 ( 15997 PWs) bands (ev): -38.9969 -38.9969 -38.9632 -38.9632 -14.0439 -14.0439 -12.2737 -12.2731 -11.9825 -11.9557 -11.8785 -11.8595 -11.8522 -11.8381 -11.7414 -11.7371 -9.7462 -9.7462 -6.4319 -6.4316 -1.6840 -1.3288 -1.1993 -1.1543 -0.9863 -0.9370 -0.3204 -0.1719 -0.0625 0.1608 0.9726 0.9933 1.9617 1.9639 2.1514 2.1615 2.3236 2.3252 2.7691 2.7859 2.8278 2.8293 2.8322 2.8395 3.6928 3.7313 3.8505 3.8647 3.9649 3.9842 3.9872 4.0046 4.0154 4.0155 4.9714 4.9843 6.0077 6.1024 6.6581 6.9036 7.2351 7.2737 7.8348 8.0839 8.5084 8.5738 8.9613 9.0318 k = 0.0000 0.0000 0.1367 ( 16003 PWs) bands (ev): -38.9965 -38.9965 -38.9635 -38.9635 -14.0324 -14.0324 -12.3079 -12.3073 -11.9880 -11.9607 -11.8697 -11.8606 -11.8514 -11.8458 -11.7349 -11.7311 -9.7010 -9.7009 -6.4668 -6.4664 -1.7361 -1.4007 -1.2646 -1.1216 -1.0569 -0.9261 -0.2348 -0.0862 0.0303 0.2479 0.9505 0.9758 1.9777 1.9802 2.1124 2.1215 2.2939 2.2958 2.8109 2.8292 2.8439 2.8536 2.8633 2.8649 3.6837 3.7254 3.8652 3.8784 3.9637 3.9823 3.9878 4.0003 4.0048 4.0087 4.9349 4.9491 6.0247 6.1523 6.5556 6.8303 7.1299 7.1659 7.8920 8.1529 8.5788 8.6444 8.9336 9.0171 k = 0.0000 0.0000 0.1538 ( 16009 PWs) bands (ev): -38.9961 -38.9961 -38.9639 -38.9639 -14.0194 -14.0194 -12.3452 -12.3446 -11.9932 -11.9653 -11.8690 -11.8608 -11.8534 -11.8433 -11.7286 -11.7254 -9.6512 -9.6512 -6.5058 -6.5054 -1.7879 -1.4705 -1.3274 -1.1253 -1.0874 -0.9103 -0.1472 -0.0018 0.1238 0.3344 0.9260 0.9568 1.9957 1.9984 2.0748 2.0828 2.2660 2.2683 2.8478 2.8568 2.8715 2.8727 2.8979 2.8997 3.6748 3.7199 3.8804 3.8926 3.9596 3.9704 3.9865 3.9886 4.0030 4.0133 4.8967 4.9121 6.0324 6.2054 6.4518 6.7688 7.0237 7.0574 7.9443 8.2186 8.6459 8.7114 8.9033 9.0011 k = 0.0000 0.0000 0.1709 ( 16021 PWs) bands (ev): -38.9957 -38.9957 -38.9643 -38.9643 -14.0048 -14.0048 -12.3850 -12.3845 -11.9980 -11.9697 -11.8773 -11.8609 -11.8519 -11.8351 -11.7226 -11.7199 -9.5974 -9.5974 -6.5487 -6.5483 -1.8387 -1.5382 -1.3875 -1.1916 -1.0515 -0.8900 -0.0579 0.0805 0.2178 0.4200 0.8992 0.9369 2.0155 2.0184 2.0389 2.0457 2.2402 2.2429 2.8706 2.8726 2.9036 2.9125 2.9315 2.9334 3.6660 3.7148 3.8960 3.9075 3.9486 3.9524 3.9785 3.9895 4.0067 4.0185 4.8573 4.8736 6.0260 6.2610 6.3469 6.7236 6.9170 6.9484 7.9914 8.2809 8.7095 8.7747 8.8704 8.9842 k = 0.0000 0.0000 0.1879 ( 16045 PWs) bands (ev): -38.9953 -38.9953 -38.9648 -38.9648 -13.9888 -13.9888 -12.4272 -12.4267 -12.0024 -11.9737 -11.8855 -11.8684 -11.8430 -11.8268 -11.7170 -11.7148 -9.5400 -9.5399 -6.5953 -6.5949 -1.8883 -1.6037 -1.4450 -1.2556 -1.0141 -0.8658 0.0326 0.1598 0.3122 0.5043 0.8702 0.9167 2.0046 2.0101 2.0370 2.0402 2.2167 2.2199 2.8851 2.8905 2.9407 2.9521 2.9639 2.9661 3.6573 3.7102 3.9122 3.9228 3.9311 3.9321 3.9761 3.9905 4.0121 4.0242 4.8169 4.8341 6.0019 6.2411 6.3188 6.6983 6.8098 6.8393 8.0330 8.3397 8.7697 8.8342 8.8351 8.9669 k = 0.0000 0.0000 0.2050 ( 16057 PWs) bands (ev): -38.9948 -38.9948 -38.9653 -38.9653 -13.9713 -13.9712 -12.4712 -12.4707 -12.0065 -11.9774 -11.8936 -11.8757 -11.8340 -11.8186 -11.7118 -11.7099 -9.4792 -9.4792 -6.6455 -6.6450 -1.9363 -1.6668 -1.4997 -1.3172 -0.9750 -0.8382 0.1238 0.2347 0.4065 0.5868 0.8392 0.8972 1.9723 1.9763 2.0603 2.0637 2.1959 2.1994 2.9000 2.9072 2.9778 2.9901 2.9951 2.9975 3.6487 3.7061 3.9108 3.9110 3.9287 3.9385 3.9757 3.9915 4.0185 4.0305 4.7758 4.7937 5.9593 6.1347 6.3784 6.6937 6.7025 6.7303 8.0686 8.3950 8.7974 8.8264 8.8900 8.9497 k = 0.0000 0.0000 0.2221 ( 16070 PWs) bands (ev): -38.9942 -38.9942 -38.9658 -38.9658 -13.9523 -13.9522 -12.5168 -12.5164 -12.0101 -11.9807 -11.9016 -11.8830 -11.8250 -11.8104 -11.7069 -11.7054 -9.4155 -9.4155 -6.6989 -6.6985 -1.9823 -1.7275 -1.5517 -1.3765 -0.9344 -0.8076 0.2155 0.3035 0.5006 0.6671 0.8062 0.8800 1.9422 1.9445 2.0851 2.0889 2.1778 2.1818 2.9149 2.9233 3.0137 3.0250 3.0261 3.0279 3.6401 3.7024 3.8891 3.8898 3.9455 3.9546 3.9762 3.9927 4.0258 4.0374 4.7341 4.7526 5.9006 6.0279 6.4397 6.5954 6.6217 6.7075 8.0979 8.4468 8.7576 8.8797 8.9331 8.9420 k = 0.0000 0.0000 0.2392 ( 16058 PWs) bands (ev): -38.9937 -38.9937 -38.9664 -38.9664 -13.9318 -13.9317 -12.5637 -12.5633 -12.0134 -11.9837 -11.9094 -11.8902 -11.8161 -11.8023 -11.7024 -11.7013 -9.3492 -9.3491 -6.7554 -6.7550 -2.0263 -1.7858 -1.6008 -1.4332 -0.8924 -0.7742 0.3071 0.3636 0.5939 0.7447 0.7714 0.8672 1.9143 1.9148 2.1112 2.1156 2.1629 2.1676 2.9294 2.9389 3.0479 3.0535 3.0561 3.0609 3.6316 3.6994 3.8675 3.8686 3.9626 3.9710 3.9770 3.9938 4.0337 4.0448 4.6920 4.7110 5.8297 5.9212 6.4888 6.5023 6.5140 6.7357 8.1205 8.4951 8.7158 8.9177 8.9295 8.9903 k = 0.0000 0.0000 0.2563 ( 16076 PWs) bands (ev): -38.9931 -38.9931 -38.9670 -38.9670 -13.9098 -13.9098 -12.6116 -12.6112 -12.0163 -11.9864 -11.9172 -11.8972 -11.8073 -11.7942 -11.6983 -11.6975 -9.2804 -9.2803 -6.8149 -6.8145 -2.0680 -1.8415 -1.6470 -1.4874 -0.8490 -0.7384 0.3982 0.4117 0.6861 0.7349 0.8189 0.8616 1.8876 1.8891 2.1370 2.1439 2.1513 2.1584 2.9430 2.9534 3.0802 3.0805 3.0834 3.0932 3.6233 3.6970 3.8468 3.8481 3.9779 3.9798 3.9875 3.9949 4.0422 4.0528 4.6496 4.6690 5.7508 5.8147 6.3830 6.4075 6.5660 6.7746 8.1360 8.5399 8.6720 8.9040 8.9759 9.0349 k = 0.0000 0.0000 0.2734 ( 16070 PWs) bands (ev): -38.9924 -38.9924 -38.9677 -38.9677 -13.8865 -13.8864 -12.6602 -12.6599 -12.0188 -11.9887 -11.9247 -11.9040 -11.7986 -11.7863 -11.6946 -11.6941 -9.2095 -9.2095 -6.8770 -6.8766 -2.1072 -1.8947 -1.6903 -1.5390 -0.8043 -0.7005 0.4444 0.4881 0.6968 0.7765 0.8664 0.8891 1.8632 1.8668 2.1433 2.1446 2.1724 2.1736 2.9552 2.9665 3.1060 3.1092 3.1104 3.1235 3.6153 3.6954 3.8275 3.8287 3.9787 3.9959 3.9971 4.0041 4.0513 4.0613 4.6070 4.6266 5.6669 5.7090 6.2785 6.3026 6.6307 6.8212 8.1443 8.5813 8.6263 8.8924 9.0189 9.0759 k = 0.0000 0.0000 0.2905 ( 16070 PWs) bands (ev): -38.9917 -38.9917 -38.9684 -38.9684 -13.8617 -13.8616 -12.7094 -12.7091 -12.0209 -11.9906 -11.9321 -11.9107 -11.7900 -11.7785 -11.6914 -11.6911 -9.1367 -9.1367 -6.9417 -6.9413 -2.1438 -1.9452 -1.7305 -1.5880 -0.7585 -0.6606 0.4596 0.5764 0.6572 0.8645 0.8831 0.9549 1.8420 1.8478 2.1389 2.1416 2.2019 2.2047 2.9654 2.9774 3.1299 3.1334 3.1385 3.1515 3.6076 3.6947 3.8104 3.8114 3.9793 3.9966 4.0142 4.0206 4.0609 4.0702 4.5642 4.5839 5.5804 5.6043 6.1756 6.1997 6.6961 6.8732 8.1452 8.5788 8.6194 8.8830 9.0587 9.1133 k = 0.0000 0.0000 0.3075 ( 16070 PWs) bands (ev): -38.9910 -38.9910 -38.9691 -38.9691 -13.8354 -13.8354 -12.7590 -12.7587 -12.0226 -11.9922 -11.9393 -11.9172 -11.7815 -11.7708 -11.6887 -11.6886 -9.0623 -9.0622 -7.0086 -7.0083 -2.1777 -1.9929 -1.7678 -1.6342 -0.7117 -0.6191 0.4583 0.6162 0.6621 0.9102 0.9492 1.0157 1.8247 1.8325 2.1382 2.1410 2.2338 2.2371 2.9729 2.9855 3.1523 3.1561 3.1642 3.1772 3.6005 3.6951 3.7960 3.7967 3.9796 3.9971 4.0311 4.0369 4.0708 4.0795 4.5214 4.5410 5.4932 5.5014 6.0748 6.0993 6.7621 6.9293 8.1388 8.5297 8.6542 8.8761 9.0952 9.1472 k = 0.0000 0.0000 0.3246 ( 16052 PWs) bands (ev): -38.9903 -38.9903 -38.9698 -38.9698 -13.8078 -13.8078 -12.8088 -12.8085 -12.0239 -11.9934 -11.9462 -11.9236 -11.7732 -11.7633 -11.6864 -11.6864 -8.9863 -8.9863 -7.0777 -7.0774 -2.2089 -2.0380 -1.8021 -1.6776 -0.6640 -0.5761 0.4438 0.5740 0.7446 0.9441 1.0294 1.0710 1.8120 1.8215 2.1410 2.1437 2.2671 2.2707 2.9772 2.9901 3.1731 3.1772 3.1877 3.2006 3.5942 3.6968 3.7853 3.7854 3.9794 3.9971 4.0475 4.0528 4.0809 4.0890 4.4785 4.4980 5.4006 5.4067 5.9767 6.0019 6.8286 6.9884 8.1254 8.4789 8.6858 8.8715 9.1286 9.1778 k = 0.0000 0.0000 0.3417 ( 16058 PWs) bands (ev): -38.9896 -38.9896 -38.9705 -38.9705 -13.7789 -13.7788 -12.8585 -12.8583 -12.0248 -11.9943 -11.9530 -11.9297 -11.7652 -11.7561 -11.6847 -11.6846 -8.9091 -8.9090 -7.1488 -7.1485 -2.2372 -2.0802 -1.8332 -1.7182 -0.6155 -0.5317 0.4197 0.5306 0.8227 0.9809 1.1032 1.1212 1.8049 1.8155 2.1469 2.1493 2.3015 2.3054 2.9775 2.9907 3.1924 3.1968 3.2088 3.2217 3.5892 3.6999 3.7779 3.7788 3.9783 3.9965 4.0634 4.0682 4.0912 4.0986 4.4358 4.4548 5.3027 5.3218 5.8820 5.9080 6.8953 7.0497 8.1054 8.4266 8.7145 8.8689 9.1590 9.2051 k = 0.0000 0.0000 0.3588 ( 16082 PWs) bands (ev): -38.9888 -38.9888 -38.9713 -38.9713 -13.7485 -13.7485 -12.9082 -12.9080 -12.0253 -11.9948 -11.9595 -11.9356 -11.7574 -11.7490 -11.6834 -11.6833 -8.8307 -8.8306 -7.2216 -7.2213 -2.2626 -2.1195 -1.8612 -1.7559 -0.5664 -0.4862 0.3889 0.4861 0.8953 1.0175 1.1615 1.1736 1.8045 1.8150 2.1553 2.1572 2.3370 2.3412 2.9735 2.9868 3.2100 3.2148 3.2277 3.2404 3.5858 3.7048 3.7749 3.7770 3.9761 3.9950 4.0786 4.0829 4.1013 4.1081 4.3932 4.4117 5.2086 5.2396 5.7912 5.8182 6.9621 7.1126 8.0795 8.3728 8.7402 8.8680 9.1865 9.2292 k = 0.0000 0.0000 0.3759 ( 16070 PWs) bands (ev): -38.9880 -38.9880 -38.9721 -38.9721 -13.7169 -13.7168 -12.9577 -12.9575 -12.0254 -11.9949 -11.9658 -11.9413 -11.7499 -11.7422 -11.6826 -11.6825 -8.7513 -8.7512 -7.2960 -7.2957 -2.2851 -2.1560 -1.8862 -1.7907 -0.5166 -0.4397 0.3532 0.4407 0.9613 1.0521 1.2007 1.2303 1.8123 1.8209 2.1652 2.1664 2.3735 2.3779 2.9650 2.9781 3.2262 3.2313 3.2443 3.2568 3.5847 3.7118 3.7765 3.7802 3.9724 3.9924 4.0929 4.0967 4.1113 4.1175 4.3508 4.3686 5.1193 5.1609 5.7052 5.7331 7.0290 7.1768 8.0481 8.3176 8.7631 8.8683 9.2111 9.2503 k = 0.0000 0.0000 0.3930 ( 16088 PWs) bands (ev): -38.9871 -38.9871 -38.9730 -38.9730 -13.6839 -13.6838 -13.0068 -13.0066 -12.0251 -11.9947 -11.9718 -11.9467 -11.7426 -11.7357 -11.6822 -11.6822 -8.6710 -8.6709 -7.3719 -7.3716 -2.3045 -2.1895 -1.9079 -1.8226 -0.4664 -0.3924 0.3141 0.3943 1.0196 1.0834 1.2333 1.2776 1.8290 1.8337 2.1754 2.1759 2.4107 2.4155 2.9518 2.9645 3.2407 3.2463 3.2587 3.2710 3.5864 3.7210 3.7826 3.7886 3.9666 3.9885 4.1062 4.1096 4.1208 4.1264 4.3087 4.3255 5.0358 5.0865 5.6249 5.6535 7.0957 7.2420 8.0120 8.2611 8.7834 8.8694 9.2331 9.2685 k = 0.0000 0.0000 0.4101 ( 16082 PWs) bands (ev): -38.9863 -38.9863 -38.9738 -38.9738 -13.6497 -13.6496 -13.0554 -13.0552 -12.0245 -11.9942 -11.9775 -11.9519 -11.7357 -11.7295 -11.6824 -11.6823 -8.5900 -8.5900 -7.4491 -7.4488 -2.3208 -2.2200 -1.9265 -1.8514 -0.4158 -0.3443 0.2723 0.3473 1.0694 1.1110 1.2609 1.3137 1.8537 1.8548 2.1841 2.1846 2.4487 2.4537 2.9341 2.9464 3.2538 3.2598 3.2710 3.2830 3.5917 3.7327 3.7930 3.8019 3.9586 3.9827 4.1183 4.1214 4.1298 4.1348 4.2671 4.2827 4.9596 5.0171 5.5512 5.5799 7.1621 7.3077 7.9716 8.2033 8.8012 8.8709 9.2525 9.2839 k = 0.0000 0.0000 0.4271 ( 16088 PWs) bands (ev): -38.9854 -38.9854 -38.9747 -38.9747 -13.6141 -13.6141 -13.1035 -13.1034 -12.0234 -11.9933 -11.9830 -11.9569 -11.7291 -11.7235 -11.6831 -11.6828 -8.5085 -8.5084 -7.5274 -7.5271 -2.3341 -2.2475 -1.9419 -1.8772 -0.3649 -0.2956 0.2285 0.2995 1.1102 1.1347 1.2841 1.3393 1.8804 1.8885 2.1896 2.1914 2.4871 2.4926 2.9122 2.9239 3.2654 3.2717 3.2812 3.2928 3.6013 3.7471 3.8066 3.8198 3.9479 3.9749 4.1291 4.1319 4.1379 4.1424 4.2260 4.2402 4.8920 4.9533 5.4852 5.5132 7.2280 7.3739 7.9275 8.1443 8.8167 8.8725 9.2694 9.2967 k = 0.0000 0.0000 0.4442 ( 16124 PWs) bands (ev): -38.9846 -38.9846 -38.9756 -38.9756 -13.5774 -13.5773 -13.1510 -13.1509 -12.0220 -11.9920 -11.9882 -11.9616 -11.7228 -11.7179 -11.6843 -11.6838 -8.4265 -8.4264 -7.6067 -7.6065 -2.3442 -2.2720 -1.9540 -1.9000 -0.3139 -0.2464 0.1831 0.2511 1.1422 1.1545 1.3034 1.3558 1.9132 1.9278 2.1907 2.1945 2.5260 2.5319 2.8866 2.8977 3.2754 3.2822 3.2894 3.3006 3.6156 3.7640 3.8216 3.8419 3.9356 3.9647 4.1385 4.1411 4.1451 4.1491 4.1855 4.1980 4.8346 4.8959 5.4279 5.4542 7.2934 7.4402 7.8802 8.0842 8.8300 8.8738 9.2839 9.3069 k = 0.0000 0.0000 0.4613 ( 16148 PWs) bands (ev): -38.9837 -38.9837 -38.9765 -38.9765 -13.5395 -13.5394 -13.1978 -13.1976 -12.0202 -11.9931 -11.9904 -11.9660 -11.7170 -11.7127 -11.6860 -11.6853 -8.3441 -8.3440 -7.6869 -7.6866 -2.3512 -2.2933 -1.9630 -1.9196 -0.2627 -0.1968 0.1363 0.2022 1.1662 1.1706 1.3196 1.3651 1.9503 1.9701 2.1864 2.1927 2.5651 2.5714 2.8577 2.8683 3.2840 3.2912 3.2957 3.3065 3.6351 3.7834 3.8333 3.8678 3.9255 3.9518 4.1458 4.1462 4.1488 4.1512 4.1548 4.1565 4.7886 4.8455 5.3802 5.4035 7.3581 7.5066 7.8300 8.0231 8.8413 8.8745 9.2961 9.3147 k = 0.0000 0.0000 0.4784 ( 16142 PWs) bands (ev): -38.9828 -38.9828 -38.9774 -38.9774 -13.5004 -13.5003 -13.2438 -13.2437 -12.0181 -11.9976 -11.9885 -11.9701 -11.7115 -11.7078 -11.6882 -11.6872 -8.2615 -8.2614 -7.7678 -7.7676 -2.3550 -2.3116 -1.9688 -1.9362 -0.2116 -0.1470 0.0885 0.1529 1.1831 1.1833 1.3331 1.3690 1.9899 2.0129 2.1756 2.1851 2.6043 2.6110 2.8261 2.8361 3.2910 3.2986 3.3001 3.3105 3.6594 3.8049 3.8323 3.8968 3.9263 3.9362 4.1071 4.1155 4.1526 4.1550 4.1560 4.1592 4.7549 4.8028 5.3431 5.3622 7.4219 7.5729 7.7772 7.9610 8.8506 8.8746 9.3060 9.3201 k = 0.0000 0.0000 0.4955 ( 16136 PWs) bands (ev): -38.9819 -38.9819 -38.9783 -38.9783 -13.4602 -13.4601 -13.2890 -13.2888 -12.0155 -12.0019 -11.9862 -11.9739 -11.7065 -11.7034 -11.6909 -11.6896 -8.1788 -8.1787 -7.8492 -7.8491 -2.3557 -2.3267 -1.9714 -1.9496 -0.1607 -0.0969 0.0398 0.1033 1.1925 1.1938 1.3443 1.3690 2.0300 2.0539 2.1581 2.1712 2.6433 2.6505 2.7923 2.8017 3.2965 3.3027 3.3046 3.3127 3.6882 3.8145 3.8278 3.9179 3.9286 3.9425 4.0695 4.0754 4.1573 4.1594 4.1596 4.1623 4.7340 4.7687 5.3172 5.3308 7.4847 7.6389 7.7222 7.8980 8.8582 8.8737 9.3138 9.3232 k = 0.0000 0.0000 0.5126 ( 16136 PWs) bands (ev): -38.9810 -38.9810 -38.9792 -38.9792 -13.4189 -13.4188 -13.3333 -13.3331 -12.0126 -12.0058 -11.9836 -11.9775 -11.7019 -11.6993 -11.6941 -11.6924 -8.0961 -8.0960 -7.9312 -7.9311 -2.3532 -2.3387 -1.9707 -1.9598 -0.1099 -0.0468 -0.0095 0.0534 1.1984 1.1995 1.3534 1.3660 2.0685 2.0913 2.1338 2.1507 2.6819 2.6896 2.7568 2.7655 3.3005 3.3036 3.3090 3.3131 3.7201 3.7863 3.8514 3.8972 3.9628 3.9685 4.0335 4.0365 4.1603 4.1613 4.1626 4.1639 4.7256 4.7438 5.3031 5.3101 7.5463 7.6653 7.7046 7.8342 8.8642 8.8718 9.3193 9.3241 k = 0.0000 0.0000 0.5297 ( 16124 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3766 -13.3766 -13.3765 -13.3765 -12.0094 -12.0094 -11.9807 -11.9807 -11.6978 -11.6978 -11.6956 -11.6956 -8.0136 -8.0136 -8.0134 -8.0134 -2.3475 -2.3475 -1.9668 -1.9668 -0.0595 -0.0595 0.0033 0.0033 1.2009 1.2009 1.3607 1.3607 2.1036 2.1036 2.1239 2.1239 2.7199 2.7199 2.7281 2.7281 3.3029 3.3029 3.3119 3.3119 3.7536 3.7536 3.8748 3.8748 3.9988 3.9988 3.9995 3.9995 4.1616 4.1616 4.1641 4.1641 4.7291 4.7291 5.3008 5.3008 7.6065 7.6065 7.7697 7.7697 8.8687 8.8687 9.3228 9.3228 k = 0.0000 0.0000 0.5297 ( 16124 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3766 -13.3766 -13.3765 -13.3765 -12.0094 -12.0094 -11.9807 -11.9807 -11.6978 -11.6978 -11.6956 -11.6956 -8.0136 -8.0136 -8.0134 -8.0134 -2.3475 -2.3475 -1.9668 -1.9668 -0.0595 -0.0595 0.0033 0.0033 1.2009 1.2009 1.3607 1.3607 2.1036 2.1036 2.1239 2.1239 2.7199 2.7199 2.7281 2.7281 3.3029 3.3029 3.3119 3.3119 3.7536 3.7536 3.8748 3.8748 3.9988 3.9988 3.9995 3.9995 4.1616 4.1616 4.1641 4.1641 4.7291 4.7291 5.3008 5.3008 7.6065 7.6065 7.7697 7.7697 8.8687 8.8687 9.3228 9.3228 k = 0.0147 0.0085 0.5297 ( 16116 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3762 -13.3762 -13.3760 -13.3760 -12.0097 -12.0097 -11.9810 -11.9810 -11.6982 -11.6982 -11.6960 -11.6960 -8.0139 -8.0139 -8.0128 -8.0128 -2.3461 -2.3461 -1.9654 -1.9654 -0.0604 -0.0604 0.0029 0.0029 1.1997 1.1997 1.3603 1.3603 2.1031 2.1031 2.1232 2.1232 2.7195 2.7195 2.7278 2.7278 3.3020 3.3020 3.3111 3.3111 3.7503 3.7503 3.8699 3.8699 3.9990 3.9990 4.0087 4.0087 4.1612 4.1612 4.1637 4.1637 4.7314 4.7314 5.3036 5.3036 7.6063 7.6063 7.7707 7.7707 8.8679 8.8679 9.3218 9.3218 k = 0.0294 0.0170 0.5297 ( 16136 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3751 -13.3751 -13.3747 -13.3747 -12.0105 -12.0105 -11.9818 -11.9818 -11.6995 -11.6995 -11.6972 -11.6972 -8.0140 -8.0140 -8.0117 -8.0117 -2.3418 -2.3418 -1.9609 -1.9609 -0.0631 -0.0631 0.0017 0.0017 1.1961 1.1961 1.3590 1.3590 2.1018 2.1018 2.1212 2.1212 2.7186 2.7186 2.7268 2.7268 3.2996 3.2996 3.3090 3.3090 3.7412 3.7412 3.8569 3.8569 4.0084 4.0084 4.0246 4.0246 4.1601 4.1601 4.1626 4.1626 4.7385 4.7385 5.3120 5.3120 7.6057 7.6057 7.7735 7.7735 8.8656 8.8656 9.3190 9.3190 k = 0.0441 0.0255 0.5297 ( 16140 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3732 -13.3732 -13.3726 -13.3726 -12.0119 -12.0119 -11.9833 -11.9833 -11.7016 -11.7016 -11.6992 -11.6992 -8.0137 -8.0137 -8.0104 -8.0104 -2.3346 -2.3346 -1.9535 -1.9535 -0.0674 -0.0674 -0.0003 -0.0003 1.1901 1.1901 1.3566 1.3566 2.0998 2.0998 2.1182 2.1182 2.7170 2.7170 2.7253 2.7253 3.2958 3.2958 3.3055 3.3055 3.7285 3.7285 3.8394 3.8394 4.0246 4.0246 4.0433 4.0433 4.1583 4.1583 4.1608 4.1608 4.7506 4.7506 5.3261 5.3261 7.6047 7.6047 7.7782 7.7782 8.8618 8.8618 9.3143 9.3143 k = 0.0588 0.0340 0.5297 ( 16126 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3705 -13.3705 -13.3697 -13.3697 -12.0139 -12.0139 -11.9853 -11.9853 -11.7046 -11.7046 -11.7020 -11.7020 -8.0132 -8.0132 -8.0088 -8.0088 -2.3246 -2.3246 -1.9432 -1.9432 -0.0734 -0.0734 -0.0031 -0.0031 1.1813 1.1813 1.3527 1.3527 2.0977 2.0977 2.1146 2.1146 2.7146 2.7146 2.7229 2.7229 3.2910 3.2910 3.3009 3.3009 3.7139 3.7139 3.8199 3.8199 4.0444 4.0444 4.0626 4.0626 4.1557 4.1557 4.1583 4.1583 4.7680 4.7680 5.3459 5.3459 7.6035 7.6035 7.7846 7.7846 8.8564 8.8564 9.3078 9.3078 k = 0.0735 0.0425 0.5297 ( 16110 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3671 -13.3671 -13.3660 -13.3660 -12.0164 -12.0164 -11.9878 -11.9878 -11.7084 -11.7084 -11.7056 -11.7056 -8.0123 -8.0123 -8.0069 -8.0069 -2.3119 -2.3119 -1.9300 -1.9300 -0.0810 -0.0810 -0.0065 -0.0065 1.1695 1.1695 1.3468 1.3468 2.0958 2.0958 2.1111 2.1111 2.7112 2.7112 2.7197 2.7197 3.2853 3.2853 3.2956 3.2956 3.6991 3.6991 3.8000 3.8000 4.0651 4.0651 4.0808 4.0808 4.1523 4.1523 4.1550 4.1550 4.7912 4.7912 5.3715 5.3715 7.6019 7.6019 7.7923 7.7923 8.8495 8.8495 9.2994 9.2994 k = 0.0882 0.0509 0.5297 ( 16118 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3629 -13.3629 -13.3616 -13.3616 -12.0194 -12.0194 -11.9908 -11.9908 -11.7130 -11.7130 -11.7099 -11.7099 -8.0111 -8.0111 -8.0047 -8.0047 -2.2964 -2.2964 -1.9141 -1.9141 -0.0900 -0.0900 -0.0105 -0.0105 1.1546 1.1546 1.3383 1.3383 2.0946 2.0946 2.1082 2.1082 2.7068 2.7068 2.7154 2.7154 3.2794 3.2794 3.2899 3.2899 3.6847 3.6847 3.7806 3.7806 4.0848 4.0848 4.0971 4.0971 4.1482 4.1482 4.1509 4.1509 4.8205 4.8205 5.4028 5.4028 7.6002 7.6002 7.8013 7.8013 8.8411 8.8411 9.2891 9.2891 k = 0.1029 0.0594 0.5297 ( 16106 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3579 -13.3579 -13.3564 -13.3564 -12.0229 -12.0229 -11.9944 -11.9944 -11.7183 -11.7183 -11.7150 -11.7150 -8.0095 -8.0095 -8.0022 -8.0022 -2.2783 -2.2783 -1.8954 -1.8954 -0.1003 -0.1003 -0.0149 -0.0149 1.1362 1.1362 1.3268 1.3268 2.0948 2.0948 2.1067 2.1067 2.7011 2.7011 2.7099 2.7099 3.2736 3.2736 3.2842 3.2842 3.6711 3.6711 3.7619 3.7619 4.1021 4.1021 4.1107 4.1107 4.1434 4.1434 4.1464 4.1464 4.8561 4.8561 5.4397 5.4397 7.5982 7.5982 7.8112 7.8112 8.8311 8.8311 9.2770 9.2770 k = 0.1176 0.0679 0.5297 ( 16112 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3522 -13.3522 -13.3505 -13.3505 -12.0269 -12.0269 -11.9985 -11.9985 -11.7244 -11.7244 -11.7207 -11.7207 -8.0077 -8.0077 -7.9995 -7.9995 -2.2576 -2.2576 -1.8741 -1.8741 -0.1119 -0.1119 -0.0198 -0.0198 1.1142 1.1142 1.3116 1.3116 2.0967 2.0967 2.1072 2.1072 2.6941 2.6941 2.7032 2.7032 3.2682 3.2682 3.2790 3.2790 3.6585 3.6585 3.7441 3.7441 4.1154 4.1154 4.1209 4.1209 4.1384 4.1384 4.1421 4.1421 4.8979 4.8979 5.4821 5.4821 7.5961 7.5961 7.8219 7.8219 8.8197 8.8197 9.2632 9.2632 k = 0.1324 0.0764 0.5297 ( 16110 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3458 -13.3458 -13.3439 -13.3439 -12.0313 -12.0313 -12.0031 -12.0031 -11.7311 -11.7311 -11.7271 -11.7271 -8.0055 -8.0055 -7.9966 -7.9966 -2.2345 -2.2345 -1.8503 -1.8503 -0.1246 -0.1246 -0.0249 -0.0249 1.0886 1.0886 1.2926 1.2926 2.1008 2.1008 2.1102 2.1102 2.6855 2.6855 2.6949 2.6949 3.2639 3.2639 3.2747 3.2747 3.6470 3.6470 3.7273 3.7273 4.1211 4.1211 4.1245 4.1245 4.1362 4.1362 4.1412 4.1412 4.9457 4.9457 5.5296 5.5296 7.5937 7.5937 7.8331 7.8331 8.8068 8.8068 9.2475 9.2475 k = 0.1471 0.0849 0.5297 ( 16092 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3388 -13.3388 -13.3367 -13.3367 -12.0363 -12.0363 -12.0081 -12.0081 -11.7385 -11.7385 -11.7341 -11.7341 -8.0030 -8.0030 -7.9934 -7.9934 -2.2090 -2.2090 -1.8240 -1.8240 -0.1383 -0.1383 -0.0302 -0.0302 1.0595 1.0595 1.2694 1.2694 2.1071 2.1071 2.1159 2.1159 2.6753 2.6753 2.6851 2.6851 3.2607 3.2607 3.2717 3.2717 3.6363 3.6363 3.7114 3.7114 4.1177 4.1177 4.1193 4.1193 4.1389 4.1389 4.1457 4.1457 4.9989 4.9989 5.5819 5.5819 7.5910 7.5910 7.8446 7.8446 8.7924 8.7924 9.2301 9.2301 k = 0.1618 0.0934 0.5297 ( 16084 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3311 -13.3311 -13.3289 -13.3289 -12.0416 -12.0416 -12.0135 -12.0135 -11.7464 -11.7464 -11.7416 -11.7416 -8.0003 -8.0003 -7.9900 -7.9900 -2.1812 -2.1812 -1.7955 -1.7955 -0.1529 -0.1529 -0.0355 -0.0355 1.0272 1.0272 1.2422 1.2422 2.1160 2.1160 2.1242 2.1242 2.6636 2.6636 2.6738 2.6738 3.2592 3.2592 3.2701 3.2701 3.6265 3.6265 3.6965 3.6965 4.1098 4.1098 4.1111 4.1111 4.1413 4.1413 4.1505 4.1505 5.0568 5.0568 5.6385 5.6385 7.5880 7.5880 7.8562 7.8562 8.7767 8.7767 9.2110 9.2110 k = 0.1765 0.1019 0.5297 ( 16078 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3229 -13.3229 -13.3205 -13.3205 -12.0473 -12.0473 -12.0194 -12.0194 -11.7548 -11.7548 -11.7497 -11.7497 -7.9973 -7.9973 -7.9865 -7.9865 -2.1514 -2.1514 -1.7649 -1.7649 -0.1684 -0.1684 -0.0410 -0.0410 0.9919 0.9919 1.2112 1.2112 2.1273 2.1273 2.1350 2.1350 2.6504 2.6504 2.6609 2.6609 3.2593 3.2593 3.2701 3.2701 3.6174 3.6174 3.6824 3.6824 4.0999 4.0999 4.1017 4.1017 4.1420 4.1420 4.1533 4.1533 5.1189 5.1189 5.6989 5.6989 7.5846 7.5846 7.8677 7.8677 8.7595 8.7595 9.1903 9.1903 k = 0.1912 0.1104 0.5297 ( 16068 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3142 -13.3142 -13.3116 -13.3116 -12.0533 -12.0533 -12.0257 -12.0257 -11.7636 -11.7636 -11.7582 -11.7582 -7.9940 -7.9940 -7.9828 -7.9828 -2.1195 -2.1195 -1.7323 -1.7323 -0.1846 -0.1846 -0.0464 -0.0464 0.9540 0.9540 1.1767 1.1767 2.1406 2.1406 2.1479 2.1479 2.6360 2.6360 2.6467 2.6467 3.2612 3.2612 3.2719 3.2719 3.6090 3.6090 3.6692 3.6692 4.0887 4.0887 4.0913 4.0913 4.1409 4.1409 4.1540 4.1540 5.1843 5.1843 5.7626 5.7626 7.5807 7.5807 7.8789 7.8789 8.7411 8.7411 9.1680 9.1680 k = 0.2059 0.1189 0.5297 ( 16064 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3049 -13.3049 -13.3022 -13.3022 -12.0597 -12.0597 -12.0323 -12.0323 -11.7728 -11.7728 -11.7670 -11.7670 -7.9905 -7.9905 -7.9790 -7.9790 -2.0858 -2.0858 -1.6979 -1.6979 -0.2016 -0.2016 -0.0517 -0.0517 0.9142 0.9142 1.1394 1.1394 2.1556 2.1556 2.1623 2.1623 2.6207 2.6207 2.6315 2.6315 3.2649 3.2649 3.2754 3.2754 3.6012 3.6012 3.6568 3.6568 4.0767 4.0767 4.0801 4.0801 4.1383 4.1383 4.1527 4.1527 5.2525 5.2525 5.8291 5.8291 7.5763 7.5763 7.8896 7.8896 8.7214 8.7214 9.1442 9.1442 k = 0.2206 0.1274 0.5297 ( 16082 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2953 -13.2953 -13.2924 -13.2924 -12.0664 -12.0664 -12.0393 -12.0393 -11.7823 -11.7823 -11.7761 -11.7761 -7.9868 -7.9868 -7.9751 -7.9751 -2.0504 -2.0504 -1.6619 -1.6619 -0.2192 -0.2192 -0.0571 -0.0571 0.8728 0.8728 1.0997 1.0997 2.1716 2.1716 2.1778 2.1778 2.6051 2.6051 2.6157 2.6157 3.2702 3.2702 3.2804 3.2804 3.5941 3.5941 3.6452 3.6452 4.0640 4.0640 4.0681 4.0681 4.1342 4.1342 4.1495 4.1495 5.3227 5.3227 5.8977 5.8977 7.5713 7.5713 7.8997 7.8997 8.7006 8.7006 9.1190 9.1190 k = 0.2353 0.1358 0.5297 ( 16064 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2852 -13.2852 -13.2823 -13.2823 -12.0733 -12.0733 -12.0466 -12.0466 -11.7920 -11.7920 -11.7854 -11.7854 -7.9830 -7.9830 -7.9711 -7.9711 -2.0135 -2.0135 -1.6245 -1.6245 -0.2375 -0.2375 -0.0626 -0.0626 0.8306 0.8306 1.0583 1.0583 2.1875 2.1875 2.1934 2.1934 2.5897 2.5897 2.5999 2.5999 3.2769 3.2769 3.2868 3.2868 3.5878 3.5878 3.6346 3.6346 4.0507 4.0507 4.0555 4.0555 4.1289 4.1289 4.1447 4.1447 5.3943 5.3943 5.9679 5.9679 7.5658 7.5658 7.9090 7.9090 8.6787 8.6787 9.0925 9.0925 k = 0.2500 0.1443 0.5297 ( 16064 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2749 -13.2749 -13.2718 -13.2718 -12.0804 -12.0804 -12.0541 -12.0541 -11.8017 -11.8017 -11.7949 -11.7949 -7.9790 -7.9790 -7.9671 -7.9671 -1.9752 -1.9752 -1.5859 -1.5859 -0.2565 -0.2565 -0.0683 -0.0683 0.7879 0.7879 1.0159 1.0159 2.2025 2.2025 2.2085 2.2085 2.5756 2.5756 2.5850 2.5850 3.2847 3.2847 3.2941 3.2941 3.5825 3.5825 3.6251 3.6251 4.0371 4.0371 4.0426 4.0426 4.1224 4.1224 4.1385 4.1385 5.4669 5.4669 6.0393 6.0393 7.5596 7.5596 7.9173 7.9173 8.6560 8.6560 9.0649 9.0649 k = 0.2647 0.1528 0.5297 ( 16052 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2644 -13.2644 -13.2612 -13.2612 -12.0876 -12.0876 -12.0619 -12.0619 -11.8114 -11.8114 -11.8044 -11.8044 -7.9749 -7.9749 -7.9631 -7.9631 -1.9357 -1.9357 -1.5463 -1.5463 -0.2760 -0.2760 -0.0743 -0.0743 0.7455 0.7455 0.9730 0.9730 2.2152 2.2152 2.2218 2.2218 2.5636 2.5636 2.5719 2.5719 3.2932 3.2932 3.3020 3.3020 3.5783 3.5783 3.6169 3.6169 4.0234 4.0234 4.0293 4.0293 4.1149 4.1149 4.1309 4.1309 5.5398 5.5398 6.1111 6.1111 7.5528 7.5528 7.9244 7.9244 8.6326 8.6326 9.0362 9.0362 k = 0.2794 0.1613 0.5297 ( 16048 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2538 -13.2538 -13.2505 -13.2505 -12.0950 -12.0950 -12.0699 -12.0699 -11.8210 -11.8210 -11.8138 -11.8138 -7.9707 -7.9707 -7.9591 -7.9591 -1.8952 -1.8952 -1.5061 -1.5061 -0.2961 -0.2961 -0.0809 -0.0809 0.7039 0.7039 0.9302 0.9302 2.2244 2.2244 2.2323 2.2323 2.5550 2.5550 2.5619 2.5619 3.3017 3.3017 3.3101 3.3101 3.5757 3.5757 3.6103 3.6103 4.0097 4.0097 4.0160 4.0160 4.1064 4.1064 4.1223 4.1223 5.6127 5.6127 6.1830 6.1830 7.5456 7.5456 7.9301 7.9301 8.6087 8.6087 9.0066 9.0066 k = 0.2941 0.1698 0.5297 ( 16048 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2431 -13.2431 -13.2398 -13.2398 -12.1024 -12.1024 -12.0781 -12.0781 -11.8305 -11.8305 -11.8231 -11.8231 -7.9665 -7.9665 -7.9552 -7.9552 -1.8539 -1.8539 -1.4655 -1.4655 -0.3166 -0.3166 -0.0884 -0.0884 0.6637 0.6637 0.8882 0.8882 2.2292 2.2292 2.2386 2.2386 2.5506 2.5506 2.5561 2.5561 3.3099 3.3099 3.3177 3.3177 3.5750 3.5750 3.6058 3.6058 3.9962 3.9962 4.0027 4.0027 4.0970 4.0970 4.1125 4.1125 5.6850 5.6850 6.2543 6.2543 7.5380 7.5380 7.9342 7.9342 8.5845 8.5845 8.9764 8.9764 k = 0.3088 0.1783 0.5297 ( 16068 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2324 -13.2324 -13.2291 -13.2291 -12.1098 -12.1098 -12.0864 -12.0864 -11.8396 -11.8396 -11.8322 -11.8322 -7.9624 -7.9624 -7.9514 -7.9514 -1.8120 -1.8120 -1.4249 -1.4249 -0.3374 -0.3374 -0.0971 -0.0971 0.6255 0.6255 0.8474 0.8474 2.2290 2.2290 2.2401 2.2401 2.5507 2.5507 2.5557 2.5557 3.3169 3.3169 3.3244 3.3244 3.5765 3.5765 3.6036 3.6036 3.9831 3.9831 3.9896 3.9896 4.0867 4.0867 4.1018 4.1018 5.7564 5.7564 6.3244 6.3244 7.5302 7.5302 7.9365 7.9365 8.5605 8.5605 8.9457 8.9457 k = 0.3235 0.1868 0.5297 ( 16070 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2219 -13.2219 -13.2186 -13.2186 -12.1171 -12.1171 -12.0947 -12.0947 -11.8483 -11.8483 -11.8410 -11.8410 -7.9582 -7.9582 -7.9477 -7.9477 -1.7698 -1.7698 -1.3848 -1.3848 -0.3583 -0.3583 -0.1073 -0.1073 0.5897 0.5897 0.8082 0.8082 2.2238 2.2238 2.2364 2.2364 2.5553 2.5553 2.5608 2.5608 3.3223 3.3223 3.3296 3.3296 3.5806 3.5806 3.6042 3.6042 3.9704 3.9704 3.9768 3.9768 4.0756 4.0756 4.0902 4.0902 5.8263 5.8263 6.3928 6.3928 7.5226 7.5226 7.9366 7.9366 8.5370 8.5370 8.9148 8.9148 k = 0.3382 0.1953 0.5297 ( 16058 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2116 -13.2116 -13.2084 -13.2084 -12.1243 -12.1243 -12.1029 -12.1029 -11.8565 -11.8565 -11.8494 -11.8494 -7.9542 -7.9542 -7.9443 -7.9443 -1.7275 -1.7275 -1.3454 -1.3454 -0.3790 -0.3790 -0.1194 -0.1194 0.5569 0.5569 0.7711 0.7711 2.2145 2.2145 2.2282 2.2282 2.5641 2.5641 2.5705 2.5705 3.3257 3.3257 3.3331 3.3331 3.5876 3.5876 3.6078 3.6078 3.9583 3.9583 3.9645 3.9645 4.0637 4.0637 4.0778 4.0778 5.8944 5.8944 6.4587 6.4587 7.5154 7.5154 7.9343 7.9343 8.5144 8.5144 8.8839 8.8839 k = 0.3529 0.2038 0.5297 ( 16066 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2016 -13.2016 -13.1986 -13.1986 -12.1312 -12.1312 -12.1111 -12.1111 -11.8643 -11.8643 -11.8574 -11.8574 -7.9503 -7.9503 -7.9410 -7.9410 -1.6854 -1.6854 -1.3074 -1.3074 -0.3991 -0.3991 -0.1338 -0.1338 0.5275 0.5275 0.7364 0.7364 2.2020 2.2020 2.2163 2.2163 2.5762 2.5762 2.5837 2.5837 3.3269 3.3269 3.3346 3.3346 3.5973 3.5973 3.6145 3.6145 3.9469 3.9469 3.9529 3.9529 4.0511 4.0511 4.0646 4.0646 5.9601 5.9601 6.5214 6.5214 7.5090 7.5090 7.9292 7.9292 8.4931 8.4931 8.8534 8.8534 k = 0.3676 0.2123 0.5297 ( 16082 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.1922 -13.1922 -13.1892 -13.1892 -12.1378 -12.1378 -12.1190 -12.1190 -11.8713 -11.8713 -11.8648 -11.8648 -7.9466 -7.9466 -7.9380 -7.9380 -1.6439 -1.6439 -1.2714 -1.2714 -0.4181 -0.4181 -0.1506 -0.1506 0.5019 0.5019 0.7043 0.7043 2.1875 2.1875 2.2021 2.2021 2.5908 2.5908 2.5990 2.5990 3.3260 3.3260 3.3341 3.3341 3.6096 3.6096 3.6242 3.6242 3.9362 3.9362 3.9418 3.9418 4.0379 4.0379 4.0507 4.0507 6.0230 6.0230 6.5801 6.5801 7.5041 7.5041 7.9213 7.9213 8.4737 8.4737 8.8237 8.8237 k = 0.3824 0.2208 0.5297 ( 16070 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1833 -13.1833 -13.1805 -13.1805 -12.1439 -12.1439 -12.1266 -12.1266 -11.8778 -11.8778 -11.8716 -11.8716 -7.9431 -7.9431 -7.9352 -7.9352 -1.6033 -1.6033 -1.2381 -1.2381 -0.4352 -0.4352 -0.1700 -0.1700 0.4802 0.4802 0.6750 0.6750 2.1721 2.1721 2.1866 2.1866 2.6066 2.6066 2.6154 2.6154 3.3235 3.3235 3.3318 3.3318 3.6240 3.6240 3.6365 3.6365 3.9264 3.9264 3.9316 3.9316 4.0242 4.0242 4.0364 4.0364 6.0824 6.0824 6.6340 6.6340 7.5013 7.5013 7.9101 7.9101 8.4565 8.4565 8.7950 8.7950 k = 0.3971 0.2292 0.5297 ( 16078 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1751 -13.1751 -13.1725 -13.1725 -12.1495 -12.1495 -12.1338 -12.1338 -11.8835 -11.8835 -11.8778 -11.8778 -7.9398 -7.9398 -7.9328 -7.9328 -1.5641 -1.5641 -1.2082 -1.2082 -0.4498 -0.4498 -0.1917 -0.1917 0.4625 0.4625 0.6487 0.6487 2.1567 2.1567 2.1710 2.1710 2.6227 2.6227 2.6318 2.6318 3.3196 3.3196 3.3281 3.3281 3.6400 3.6400 3.6508 3.6508 3.9174 3.9174 3.9221 3.9221 4.0103 4.0103 4.0217 4.0217 6.1379 6.1379 6.6823 6.6823 7.5011 7.5011 7.8958 7.8958 8.4419 8.4419 8.7678 8.7678 k = 0.4118 0.2377 0.5297 ( 16088 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.1676 -13.1676 -13.1654 -13.1654 -12.1545 -12.1545 -12.1405 -12.1405 -11.8884 -11.8884 -11.8834 -11.8834 -7.9369 -7.9369 -7.9307 -7.9307 -1.5270 -1.5270 -1.1824 -1.1824 -0.4610 -0.4610 -0.2156 -0.2156 0.4487 0.4487 0.6255 0.6255 2.1421 2.1421 2.1559 2.1559 2.6385 2.6385 2.6476 2.6476 3.3150 3.3150 3.3235 3.3235 3.6571 3.6571 3.6663 3.6663 3.9092 3.9092 3.9135 3.9135 3.9963 3.9963 4.0070 4.0070 6.1886 6.1886 6.7240 6.7240 7.5042 7.5042 7.8786 7.8786 8.4299 8.4299 8.7426 8.7426 k = 0.4265 0.2462 0.5297 ( 16090 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.1611 -13.1611 -13.1591 -13.1591 -12.1587 -12.1587 -12.1464 -12.1464 -11.8926 -11.8926 -11.8882 -11.8882 -7.9342 -7.9342 -7.9290 -7.9290 -1.4926 -1.4926 -1.1612 -1.1612 -0.4681 -0.4681 -0.2408 -0.2408 0.4383 0.4383 0.6055 0.6055 2.1287 2.1287 2.1421 2.1421 2.6530 2.6530 2.6620 2.6620 3.3101 3.3101 3.3184 3.3184 3.6744 3.6744 3.6823 3.6823 3.9019 3.9019 3.9058 3.9058 3.9828 3.9828 3.9927 3.9927 6.2338 6.2338 6.7588 6.7588 7.5106 7.5106 7.8590 7.8590 8.4207 8.4207 8.7198 8.7198 k = 0.4412 0.2547 0.5297 ( 16080 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1556 -13.1556 -13.1540 -13.1540 -12.1622 -12.1622 -12.1516 -12.1516 -11.8960 -11.8960 -11.8922 -11.8922 -7.9319 -7.9319 -7.9276 -7.9276 -1.4618 -1.4618 -1.1452 -1.1452 -0.4708 -0.4708 -0.2664 -0.2664 0.4309 0.4309 0.5887 0.5887 2.1172 2.1172 2.1301 2.1301 2.6659 2.6659 2.6745 2.6745 3.3054 3.3054 3.3135 3.3135 3.6912 3.6912 3.6980 3.6980 3.8953 3.8953 3.8989 3.8989 3.9703 3.9703 3.9792 3.9792 6.2727 6.2727 6.7863 6.7863 7.5203 7.5203 7.8379 7.8379 8.4140 8.4140 8.7000 8.7000 k = 0.4559 0.2632 0.5297 ( 16068 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1512 -13.1512 -13.1499 -13.1499 -12.1649 -12.1649 -12.1559 -12.1559 -11.8986 -11.8986 -11.8954 -11.8954 -7.9299 -7.9299 -7.9267 -7.9267 -1.4358 -1.4358 -1.1339 -1.1339 -0.4692 -0.4692 -0.2911 -0.2911 0.4260 0.4260 0.5754 0.5754 2.1079 2.1079 2.1203 2.1203 2.6765 2.6765 2.6847 2.6847 3.3013 3.3013 3.3090 3.3090 3.7065 3.7065 3.7123 3.7123 3.8895 3.8895 3.8930 3.8930 3.9596 3.9596 3.9673 3.9673 6.3044 6.3044 6.8067 6.8067 7.5322 7.5322 7.8169 7.8169 8.4095 8.4095 8.6838 8.6838 k = 0.4706 0.2717 0.5297 ( 16066 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1479 -13.1479 -13.1469 -13.1469 -12.1667 -12.1667 -12.1592 -12.1592 -11.9003 -11.9003 -11.8978 -11.8978 -7.9284 -7.9284 -7.9261 -7.9261 -1.4158 -1.4158 -1.1270 -1.1270 -0.4645 -0.4645 -0.3128 -0.3128 0.4230 0.4230 0.5658 0.5658 2.1011 2.1011 2.1131 2.1131 2.6844 2.6844 2.6923 2.6923 3.2981 3.2981 3.3055 3.3055 3.7191 3.7191 3.7239 3.7239 3.8846 3.8846 3.8881 3.8881 3.9513 3.9513 3.9578 3.9578 6.3278 6.3278 6.8205 6.8205 7.5443 7.5443 7.7982 7.7982 8.4067 8.4067 8.6717 8.6717 k = 0.4853 0.2802 0.5297 ( 16062 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1458 -13.1458 -13.1452 -13.1452 -12.1677 -12.1677 -12.1613 -12.1613 -11.9014 -11.9014 -11.8993 -11.8993 -7.9273 -7.9273 -7.9260 -7.9260 -1.4031 -1.4031 -1.1234 -1.1234 -0.4592 -0.4592 -0.3285 -0.3285 0.4214 0.4214 0.5598 0.5598 2.0969 2.0969 2.1087 2.1087 2.6893 2.6893 2.6969 2.6969 3.2961 3.2961 3.3033 3.3033 3.7276 3.7276 3.7316 3.7316 3.8813 3.8813 3.8849 3.8849 3.9461 3.9461 3.9516 3.9516 6.3423 6.3423 6.8284 6.8284 7.5538 7.5538 7.7849 7.7849 8.4052 8.4052 8.6643 8.6643 k = 0.5000 0.2887 0.5297 ( 16072 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1451 -13.1451 -13.1447 -13.1447 -12.1680 -12.1680 -12.1620 -12.1620 -11.9017 -11.9017 -11.8998 -11.8998 -7.9268 -7.9268 -7.9260 -7.9260 -1.3988 -1.3988 -1.1224 -1.1224 -0.4567 -0.4567 -0.3344 -0.3344 0.4209 0.4209 0.5578 0.5578 2.0955 2.0955 2.1072 2.1072 2.6910 2.6910 2.6984 2.6984 3.2954 3.2954 3.3025 3.3025 3.7307 3.7307 3.7343 3.7343 3.8801 3.8801 3.8837 3.8837 3.9443 3.9443 3.9494 3.9494 6.3471 6.3471 6.8309 6.8309 7.5574 7.5574 7.7800 7.7800 8.4047 8.4047 8.6617 8.6617 k = 0.5000 0.2887 0.5297 ( 16072 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1451 -13.1451 -13.1447 -13.1447 -12.1680 -12.1680 -12.1620 -12.1620 -11.9017 -11.9017 -11.8998 -11.8998 -7.9268 -7.9268 -7.9260 -7.9260 -1.3988 -1.3988 -1.1224 -1.1224 -0.4567 -0.4567 -0.3344 -0.3344 0.4209 0.4209 0.5578 0.5578 2.0955 2.0955 2.1072 2.1072 2.6910 2.6910 2.6984 2.6984 3.2954 3.2954 3.3025 3.3025 3.7307 3.7307 3.7343 3.7343 3.8801 3.8801 3.8837 3.8837 3.9443 3.9443 3.9494 3.9494 6.3471 6.3471 6.8309 6.8309 7.5574 7.5574 7.7800 7.7800 8.4047 8.4047 8.6617 8.6617 k = 0.4917 0.3031 0.5297 ( 16056 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1450 -13.1450 -13.1445 -13.1445 -12.1678 -12.1678 -12.1618 -12.1618 -11.9022 -11.9022 -11.9002 -11.9002 -7.9268 -7.9268 -7.9258 -7.9258 -1.3980 -1.3980 -1.1217 -1.1217 -0.4588 -0.4588 -0.3342 -0.3342 0.4211 0.4211 0.5585 0.5585 2.0955 2.0955 2.1073 2.1073 2.6906 2.6906 2.6981 2.6981 3.2958 3.2958 3.3029 3.3029 3.7303 3.7303 3.7340 3.7340 3.8798 3.8798 3.8833 3.8833 3.9438 3.9438 3.9489 3.9489 6.3495 6.3495 6.8332 6.8332 7.5566 7.5566 7.7798 7.7798 8.4038 8.4038 8.6606 8.6606 k = 0.4833 0.3175 0.5297 ( 16052 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1445 -13.1445 -13.1440 -13.1440 -12.1673 -12.1673 -12.1612 -12.1612 -11.9039 -11.9039 -11.9015 -11.9015 -7.9267 -7.9267 -7.9251 -7.9251 -1.3958 -1.3958 -1.1199 -1.1199 -0.4647 -0.4647 -0.3337 -0.3337 0.4216 0.4216 0.5606 0.5606 2.0955 2.0955 2.1075 2.1075 2.6897 2.6897 2.6972 2.6972 3.2968 3.2968 3.3042 3.3042 3.7294 3.7294 3.7333 3.7333 3.8790 3.8790 3.8823 3.8823 3.9423 3.9423 3.9476 3.9476 6.3564 6.3564 6.8397 6.8397 7.5544 7.5544 7.7793 7.7793 8.4009 8.4009 8.6574 8.6574 k = 0.4750 0.3320 0.5297 ( 16056 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1438 -13.1438 -13.1431 -13.1431 -12.1663 -12.1663 -12.1601 -12.1601 -11.9065 -11.9065 -11.9037 -11.9037 -7.9264 -7.9264 -7.9242 -7.9242 -1.3921 -1.3921 -1.1167 -1.1167 -0.4740 -0.4740 -0.3334 -0.3334 0.4226 0.4226 0.5639 0.5639 2.0954 2.0954 2.1077 2.1077 2.6883 2.6883 2.6958 2.6958 3.2983 3.2983 3.3062 3.3062 3.7280 3.7280 3.7321 3.7321 3.8775 3.8775 3.8805 3.8805 3.9399 3.9399 3.9454 3.9454 6.3679 6.3679 6.8506 6.8506 7.5506 7.5506 7.7784 7.7784 8.3961 8.3961 8.6520 8.6520 k = 0.4667 0.3464 0.5297 ( 16064 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1428 -13.1428 -13.1419 -13.1419 -12.1650 -12.1650 -12.1586 -12.1586 -11.9101 -11.9101 -11.9068 -11.9068 -7.9258 -7.9258 -7.9231 -7.9231 -1.3869 -1.3869 -1.1124 -1.1124 -0.4861 -0.4861 -0.3337 -0.3337 0.4240 0.4240 0.5683 0.5683 2.0951 2.0951 2.1080 2.1080 2.6864 2.6864 2.6939 2.6939 3.3004 3.3004 3.3088 3.3088 3.7262 3.7262 3.7306 3.7306 3.8753 3.8753 3.8778 3.8778 3.9369 3.9369 3.9426 3.9426 6.3837 6.3837 6.8654 6.8654 7.5454 7.5454 7.7772 7.7772 8.3895 8.3895 8.6446 8.6446 k = 0.4583 0.3608 0.5297 ( 16060 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1414 -13.1414 -13.1404 -13.1404 -12.1634 -12.1634 -12.1567 -12.1567 -11.9147 -11.9147 -11.9107 -11.9107 -7.9250 -7.9250 -7.9217 -7.9217 -1.3802 -1.3802 -1.1070 -1.1070 -0.5005 -0.5005 -0.3350 -0.3350 0.4259 0.4259 0.5738 0.5738 2.0946 2.0946 2.1081 2.1081 2.6842 2.6842 2.6918 2.6918 3.3029 3.3029 3.3119 3.3119 3.7243 3.7243 3.7289 3.7289 3.8723 3.8723 3.8741 3.8741 3.9335 3.9335 3.9394 3.9394 6.4035 6.4035 6.8841 6.8841 7.5388 7.5388 7.7756 7.7756 8.3812 8.3812 8.6353 8.6353 k = 0.4500 0.3753 0.5297 ( 16048 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1398 -13.1398 -13.1386 -13.1386 -12.1613 -12.1613 -12.1545 -12.1545 -11.9200 -11.9200 -11.9155 -11.9155 -7.9240 -7.9240 -7.9202 -7.9202 -1.3720 -1.3720 -1.1007 -1.1007 -0.5167 -0.5167 -0.3378 -0.3378 0.4284 0.4284 0.5801 0.5801 2.0938 2.0938 2.1079 2.1079 2.6820 2.6820 2.6895 2.6895 3.3057 3.3057 3.3153 3.3153 3.7223 3.7223 3.7272 3.7272 3.8682 3.8682 3.8695 3.8695 3.9300 3.9300 3.9358 3.9358 6.4270 6.4270 6.9061 6.9061 7.5309 7.5309 7.7736 7.7736 8.3712 8.3712 8.6242 8.6242 k = 0.4417 0.3897 0.5297 ( 16052 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1380 -13.1380 -13.1367 -13.1367 -12.1590 -12.1590 -12.1519 -12.1519 -11.9262 -11.9262 -11.9209 -11.9209 -7.9229 -7.9229 -7.9186 -7.9186 -1.3623 -1.3623 -1.0934 -1.0934 -0.5341 -0.5341 -0.3421 -0.3421 0.4315 0.4315 0.5871 0.5871 2.0924 2.0924 2.1073 2.1073 2.6798 2.6798 2.6872 2.6872 3.3086 3.3086 3.3188 3.3188 3.7207 3.7207 3.7256 3.7256 3.8628 3.8628 3.8643 3.8643 3.9263 3.9263 3.9322 3.9322 6.4538 6.4538 6.9311 6.9311 7.5219 7.5219 7.7711 7.7711 8.3598 8.3598 8.6116 8.6116 k = 0.4333 0.4041 0.5297 ( 16060 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1360 -13.1360 -13.1345 -13.1345 -12.1564 -12.1564 -12.1489 -12.1489 -11.9330 -11.9330 -11.9270 -11.9270 -7.9216 -7.9216 -7.9168 -7.9168 -1.3511 -1.3511 -1.0855 -1.0855 -0.5524 -0.5524 -0.3482 -0.3482 0.4351 0.4351 0.5946 0.5946 2.0905 2.0905 2.1062 2.1062 2.6778 2.6778 2.6851 2.6851 3.3113 3.3113 3.3222 3.3222 3.7196 3.7196 3.7245 3.7245 3.8564 3.8564 3.8586 3.8586 3.9227 3.9227 3.9285 3.9285 6.4836 6.4836 6.9584 6.9584 7.5119 7.5119 7.7681 7.7681 8.3470 8.3470 8.5975 8.5975 k = 0.4250 0.4186 0.5297 ( 16056 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1338 -13.1338 -13.1321 -13.1321 -12.1534 -12.1534 -12.1457 -12.1457 -11.9404 -11.9404 -11.9335 -11.9335 -7.9202 -7.9202 -7.9150 -7.9150 -1.3384 -1.3384 -1.0772 -1.0772 -0.5711 -0.5711 -0.3560 -0.3560 0.4392 0.4392 0.6024 0.6024 2.0878 2.0878 2.1044 2.1044 2.6763 2.6763 2.6835 2.6835 3.3138 3.3138 3.3252 3.3252 3.7192 3.7192 3.7240 3.7240 3.8493 3.8493 3.8523 3.8523 3.9188 3.9188 3.9246 3.9246 6.5158 6.5158 6.9875 6.9875 7.5013 7.5013 7.7644 7.7644 8.3331 8.3331 8.5824 8.5824 k = 0.4167 0.4330 0.5297 ( 16048 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1314 -13.1314 -13.1297 -13.1297 -12.1503 -12.1503 -12.1421 -12.1421 -11.9482 -11.9482 -11.9405 -11.9405 -7.9187 -7.9187 -7.9131 -7.9131 -1.3242 -1.3242 -1.0689 -1.0689 -0.5896 -0.5896 -0.3655 -0.3655 0.4438 0.4438 0.6103 0.6103 2.0845 2.0845 2.1020 2.1020 2.6753 2.6753 2.6823 2.6823 3.3159 3.3159 3.3278 3.3278 3.7198 3.7198 3.7244 3.7244 3.8419 3.8419 3.8457 3.8457 3.9147 3.9147 3.9206 3.9206 6.5500 6.5500 7.0175 7.0175 7.4906 7.4906 7.7598 7.7598 8.3184 8.3184 8.5664 8.5664 k = 0.4083 0.4474 0.5297 ( 16036 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1290 -13.1290 -13.1272 -13.1272 -12.1469 -12.1469 -12.1384 -12.1384 -11.9564 -11.9564 -11.9478 -11.9478 -7.9172 -7.9172 -7.9112 -7.9112 -1.3086 -1.3086 -1.0609 -1.0609 -0.6076 -0.6076 -0.3767 -0.3767 0.4486 0.4486 0.6181 0.6181 2.0804 2.0804 2.0988 2.0988 2.6749 2.6749 2.6817 2.6817 3.3175 3.3175 3.3299 3.3299 3.7215 3.7215 3.7258 3.7258 3.8345 3.8345 3.8389 3.8389 3.9103 3.9103 3.9162 3.9162 6.5857 6.5857 7.0474 7.0474 7.4804 7.4804 7.7542 7.7542 8.3032 8.3032 8.5500 8.5500 k = 0.4000 0.4619 0.5297 ( 16052 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1266 -13.1266 -13.1247 -13.1247 -12.1434 -12.1434 -12.1345 -12.1345 -11.9647 -11.9647 -11.9552 -11.9552 -7.9157 -7.9157 -7.9094 -7.9094 -1.2915 -1.2915 -1.0539 -1.0539 -0.6245 -0.6245 -0.3892 -0.3892 0.4535 0.4535 0.6258 0.6258 2.0756 2.0756 2.0949 2.0949 2.6751 2.6751 2.6817 2.6817 3.3184 3.3184 3.3313 3.3313 3.7244 3.7244 3.7284 3.7284 3.8273 3.8273 3.8322 3.8322 3.9053 3.9053 3.9114 3.9114 6.6224 6.6224 7.0758 7.0758 7.4718 7.4718 7.7473 7.7473 8.2878 8.2878 8.5334 8.5334 k = 0.3917 0.4763 0.5297 ( 16056 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1242 -13.1242 -13.1222 -13.1222 -12.1399 -12.1399 -12.1306 -12.1306 -11.9731 -11.9731 -11.9625 -11.9625 -7.9142 -7.9142 -7.9077 -7.9077 -1.2731 -1.2731 -1.0485 -1.0485 -0.6394 -0.6394 -0.4029 -0.4029 0.4584 0.4584 0.6329 0.6329 2.0704 2.0704 2.0906 2.0906 2.6760 2.6760 2.6824 2.6824 3.3187 3.3187 3.3320 3.3320 3.7287 3.7287 3.7322 3.7322 3.8206 3.8206 3.8259 3.8259 3.8998 3.8998 3.9060 3.9060 6.6593 6.6593 7.1012 7.1012 7.4661 7.4661 7.7386 7.7386 8.2727 8.2727 8.5171 8.5171 k = 0.3833 0.4907 0.5297 ( 16052 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1219 -13.1219 -13.1198 -13.1198 -12.1363 -12.1363 -12.1266 -12.1266 -11.9811 -11.9811 -11.9696 -11.9696 -7.9128 -7.9128 -7.9062 -7.9062 -1.2534 -1.2534 -1.0456 -1.0456 -0.6519 -0.6519 -0.4175 -0.4175 0.4631 0.4631 0.6395 0.6395 2.0648 2.0648 2.0858 2.0858 2.6774 2.6774 2.6836 2.6836 3.3184 3.3184 3.3321 3.3321 3.7341 3.7341 3.7373 3.7373 3.8146 3.8146 3.8201 3.8201 3.8937 3.8937 3.9001 3.9001 6.6959 6.6959 7.1217 7.1217 7.4651 7.4651 7.7278 7.7278 8.2583 8.2583 8.5015 8.5015 k = 0.3750 0.5052 0.5297 ( 16036 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1197 -13.1197 -13.1177 -13.1177 -12.1330 -12.1330 -12.1229 -12.1229 -11.9888 -11.9888 -11.9762 -11.9762 -7.9115 -7.9115 -7.9048 -7.9048 -1.2326 -1.2326 -1.0458 -1.0458 -0.6613 -0.6613 -0.4325 -0.4325 0.4673 0.4673 0.6453 0.6453 2.0592 2.0592 2.0810 2.0810 2.6792 2.6792 2.6851 2.6851 3.3177 3.3177 3.3317 3.3317 3.7406 3.7406 3.7433 3.7433 3.8093 3.8093 3.8151 3.8151 3.8870 3.8870 3.8935 3.8935 6.7314 6.7314 7.1356 7.1356 7.4704 7.4704 7.7144 7.7144 8.2452 8.2452 8.4871 8.4871 k = 0.3667 0.5196 0.5297 ( 16026 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1178 -13.1178 -13.1157 -13.1157 -12.1299 -12.1299 -12.1195 -12.1195 -11.9956 -11.9956 -11.9822 -11.9822 -7.9104 -7.9104 -7.9035 -7.9035 -1.2108 -1.2108 -1.0498 -1.0498 -0.6672 -0.6672 -0.4473 -0.4473 0.4711 0.4711 0.6501 0.6501 2.0539 2.0539 2.0764 2.0764 2.6812 2.6812 2.6870 2.6870 3.3166 3.3166 3.3309 3.3309 3.7478 3.7478 3.7500 3.7500 3.8051 3.8051 3.8111 3.8111 3.8798 3.8798 3.8866 3.8866 6.7647 6.7647 7.1422 7.1422 7.4830 7.4830 7.6979 7.6979 8.2338 8.2338 8.4742 8.4742 k = 0.3583 0.5340 0.5297 ( 16024 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1162 -13.1162 -13.1141 -13.1141 -12.1273 -12.1273 -12.1166 -12.1166 -12.0014 -12.0014 -11.9871 -11.9871 -7.9095 -7.9095 -7.9026 -7.9026 -1.1885 -1.1885 -1.0579 -1.0579 -0.6699 -0.6699 -0.4612 -0.4612 0.4741 0.4741 0.6540 0.6540 2.0493 2.0493 2.0723 2.0723 2.6832 2.6832 2.6888 2.6888 3.3154 3.3154 3.3300 3.3300 3.7553 3.7553 3.7569 3.7569 3.8019 3.8019 3.8082 3.8082 3.8724 3.8724 3.8795 3.8795 6.7944 6.7944 7.1421 7.1421 7.5029 7.5029 7.6778 7.6778 8.2247 8.2247 8.4634 8.4634 k = 0.3500 0.5485 0.5297 ( 16034 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1150 -13.1150 -13.1129 -13.1129 -12.1253 -12.1253 -12.1144 -12.1144 -12.0059 -12.0059 -11.9909 -11.9909 -7.9088 -7.9088 -7.9018 -7.9018 -1.1662 -1.1662 -1.0698 -1.0698 -0.6699 -0.6699 -0.4731 -0.4731 0.4763 0.4763 0.6567 0.6567 2.0455 2.0455 2.0689 2.0689 2.6850 2.6850 2.6904 2.6904 3.3143 3.3143 3.3291 3.3291 3.7621 3.7621 3.7631 3.7631 3.7999 3.7999 3.8067 3.8067 3.8654 3.8654 3.8729 3.8729 6.8187 6.8187 7.1379 7.1379 7.5286 7.5286 7.6540 7.6540 8.2180 8.2180 8.4551 8.4551 k = 0.3417 0.5629 0.5297 ( 16034 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1142 -13.1142 -13.1121 -13.1121 -12.1240 -12.1240 -12.1131 -12.1131 -12.0086 -12.0086 -11.9932 -11.9932 -7.9084 -7.9084 -7.9014 -7.9014 -1.1458 -1.1458 -1.0840 -1.0840 -0.6687 -0.6687 -0.4814 -0.4814 0.4777 0.4777 0.6583 0.6583 2.0431 2.0431 2.0667 2.0667 2.6862 2.6862 2.6916 2.6916 3.3135 3.3135 3.3284 3.3284 3.7672 3.7672 3.7676 3.7676 3.7990 3.7990 3.8063 3.8063 3.8599 3.8599 3.8678 3.8678 6.8353 6.8353 7.1328 7.1328 7.5583 7.5583 7.6265 7.6265 8.2141 8.2141 8.4498 8.4498 k = 0.3333 0.5774 0.5297 ( 16038 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1139 -13.1139 -13.1118 -13.1118 -12.1236 -12.1236 -12.1126 -12.1126 -12.0096 -12.0096 -11.9940 -11.9940 -7.9082 -7.9082 -7.9012 -7.9012 -1.1349 -1.1349 -1.0927 -1.0927 -0.6680 -0.6680 -0.4845 -0.4845 0.4781 0.4781 0.6588 0.6588 2.0422 2.0422 2.0660 2.0660 2.6866 2.6866 2.6920 2.6920 3.3132 3.3132 3.3281 3.3281 3.7692 3.7692 3.7692 3.7692 3.7989 3.7989 3.8064 3.8064 3.8576 3.8576 3.8657 3.8657 6.8413 6.8413 7.1304 7.1304 7.5831 7.5831 7.6028 7.6028 8.2128 8.2128 8.4480 8.4480 k = 0.3333 0.5774 0.5297 ( 16038 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1139 -13.1139 -13.1118 -13.1118 -12.1236 -12.1236 -12.1126 -12.1126 -12.0096 -12.0096 -11.9940 -11.9940 -7.9082 -7.9082 -7.9012 -7.9012 -1.1349 -1.1349 -1.0927 -1.0927 -0.6680 -0.6680 -0.4845 -0.4845 0.4781 0.4781 0.6588 0.6588 2.0422 2.0422 2.0660 2.0660 2.6866 2.6866 2.6920 2.6920 3.3132 3.3132 3.3281 3.3281 3.7692 3.7692 3.7692 3.7692 3.7989 3.7989 3.8064 3.8064 3.8576 3.8576 3.8657 3.8657 6.8413 6.8413 7.1304 7.1304 7.5831 7.5831 7.6028 7.6028 8.2128 8.2128 8.4480 8.4480 k = 0.3248 0.5625 0.5297 ( 16042 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1142 -13.1142 -13.1121 -13.1121 -12.1240 -12.1240 -12.1130 -12.1130 -12.0086 -12.0086 -11.9932 -11.9932 -7.9084 -7.9084 -7.9014 -7.9014 -1.1472 -1.1472 -1.0827 -1.0827 -0.6691 -0.6691 -0.4808 -0.4808 0.4777 0.4777 0.6583 0.6583 2.0432 2.0432 2.0669 2.0669 2.6861 2.6861 2.6915 2.6915 3.3135 3.3135 3.3284 3.3284 3.7669 3.7669 3.7671 3.7671 3.7990 3.7990 3.8062 3.8062 3.8603 3.8603 3.8682 3.8682 6.8346 6.8346 7.1334 7.1334 7.5547 7.5547 7.6298 7.6298 8.2141 8.2141 8.4500 8.4500 k = 0.3162 0.5477 0.5297 ( 16030 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1152 -13.1152 -13.1131 -13.1131 -12.1252 -12.1252 -12.1141 -12.1141 -12.0058 -12.0058 -11.9907 -11.9907 -7.9089 -7.9089 -7.9019 -7.9019 -1.1723 -1.1723 -1.0651 -1.0651 -0.6722 -0.6722 -0.4699 -0.4699 0.4764 0.4764 0.6570 0.6570 2.0463 2.0463 2.0697 2.0697 2.6843 2.6843 2.6897 2.6897 3.3148 3.3148 3.3296 3.3296 3.7597 3.7597 3.7604 3.7604 3.7998 3.7998 3.8066 3.8066 3.8678 3.8678 3.8753 3.8753 6.8149 6.8149 7.1420 7.1420 7.5153 7.5153 7.6652 7.6652 8.2178 8.2178 8.4564 8.4564 k = 0.3077 0.5329 0.5297 ( 16032 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1169 -13.1169 -13.1148 -13.1148 -12.1270 -12.1270 -12.1154 -12.1154 -12.0013 -12.0013 -11.9867 -11.9867 -7.9098 -7.9098 -7.9027 -7.9027 -1.2020 -1.2020 -1.0486 -1.0486 -0.6760 -0.6760 -0.4524 -0.4524 0.4744 0.4744 0.6552 0.6552 2.0516 2.0516 2.0746 2.0746 2.6810 2.6810 2.6865 2.6865 3.3170 3.3170 3.3315 3.3315 3.7482 3.7482 3.7494 3.7494 3.8019 3.8019 3.8083 3.8083 3.8788 3.8788 3.8859 3.8859 6.7840 6.7840 7.1539 7.1539 7.4733 7.4733 7.7005 7.7005 8.2236 8.2236 8.4672 8.4672 k = 0.2991 0.5181 0.5297 ( 16024 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1194 -13.1194 -13.1172 -13.1172 -12.1291 -12.1291 -12.1168 -12.1168 -11.9955 -11.9955 -11.9813 -11.9813 -7.9110 -7.9110 -7.9039 -7.9039 -1.2346 -1.2346 -1.0364 -1.0364 -0.6783 -0.6783 -0.4297 -0.4297 0.4720 0.4720 0.6532 0.6532 2.0593 2.0593 2.0817 2.0817 2.6762 2.6762 2.6818 2.6818 3.3202 3.3202 3.3345 3.3345 3.7333 3.7333 3.7352 3.7352 3.8055 3.8055 3.8117 3.8117 3.8919 3.8919 3.8988 3.8988 6.7442 6.7442 7.1653 7.1653 7.4314 7.4314 7.7349 7.7349 8.2315 8.2315 8.4824 8.4824 k = 0.2906 0.5033 0.5297 ( 16032 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1228 -13.1228 -13.1204 -13.1204 -12.1312 -12.1312 -12.1180 -12.1180 -11.9885 -11.9885 -11.9747 -11.9747 -7.9126 -7.9126 -7.9054 -7.9054 -1.2693 -1.2693 -1.0304 -1.0304 -0.6767 -0.6767 -0.4033 -0.4033 0.4694 0.4694 0.6515 0.6515 2.0691 2.0691 2.0909 2.0909 2.6698 2.6698 2.6754 2.6754 3.3245 3.3245 3.3383 3.3383 3.7162 3.7162 3.7186 3.7186 3.8105 3.8105 3.8166 3.8166 3.9062 3.9062 3.9131 3.9131 6.6975 6.6975 7.1707 7.1707 7.3937 7.3937 7.7675 7.7675 8.2415 8.2415 8.5018 8.5018 k = 0.2821 0.4885 0.5297 ( 16040 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1269 -13.1269 -13.1245 -13.1245 -12.1331 -12.1331 -12.1188 -12.1188 -11.9806 -11.9806 -11.9672 -11.9672 -7.9146 -7.9146 -7.9072 -7.9072 -1.3057 -1.3057 -1.0321 -1.0321 -0.6695 -0.6695 -0.3743 -0.3743 0.4671 0.4671 0.6505 0.6505 2.0811 2.0811 2.1023 2.1023 2.6617 2.6617 2.6673 2.6673 3.3296 3.3296 3.3431 3.3431 3.6975 3.6975 3.7004 3.7004 3.8168 3.8168 3.8230 3.8230 3.9211 3.9211 3.9282 3.9282 6.6454 6.6454 7.1628 7.1628 7.3667 7.3667 7.7979 7.7979 8.2536 8.2536 8.5250 8.5250 k = 0.2735 0.4737 0.5297 ( 16040 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1319 -13.1319 -13.1293 -13.1293 -12.1345 -12.1345 -12.1192 -12.1192 -11.9719 -11.9719 -11.9589 -11.9589 -7.9170 -7.9170 -7.9093 -7.9093 -1.3436 -1.3436 -1.0417 -1.0417 -0.6562 -0.6562 -0.3439 -0.3439 0.4653 0.4653 0.6509 0.6509 2.0951 2.0951 2.1155 2.1155 2.6520 2.6520 2.6576 2.6576 3.3356 3.3356 3.3486 3.3486 3.6777 3.6777 3.6812 3.6812 3.8243 3.8243 3.8306 3.8306 3.9364 3.9364 3.9437 3.9437 6.5889 6.5889 7.1358 7.1358 7.3558 7.3558 7.8256 7.8256 8.2679 8.2679 8.5515 8.5515 k = 0.2650 0.4589 0.5297 ( 16036 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1377 -13.1377 -13.1350 -13.1350 -12.1353 -12.1353 -12.1188 -12.1188 -11.9626 -11.9626 -11.9500 -11.9500 -7.9197 -7.9197 -7.9117 -7.9117 -1.3827 -1.3827 -1.0586 -1.0586 -0.6372 -0.6372 -0.3129 -0.3129 0.4648 0.4648 0.6530 0.6530 2.1108 2.1108 2.1305 2.1305 2.6408 2.6408 2.6463 2.6463 3.3421 3.3421 3.3547 3.3547 3.6574 3.6574 3.6616 3.6616 3.8329 3.8329 3.8394 3.8394 3.9518 3.9518 3.9593 3.9593 6.5286 6.5286 7.0913 7.0913 7.3592 7.3592 7.8503 7.8503 8.2847 8.2847 8.5808 8.5808 k = 0.2564 0.4441 0.5297 ( 16044 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1443 -13.1443 -13.1415 -13.1415 -12.1354 -12.1354 -12.1178 -12.1178 -11.9528 -11.9528 -11.9404 -11.9404 -7.9228 -7.9228 -7.9144 -7.9144 -1.4228 -1.4228 -1.0817 -1.0817 -0.6138 -0.6138 -0.2821 -0.2821 0.4660 0.4660 0.6575 0.6575 2.1279 2.1279 2.1470 2.1470 2.6282 2.6282 2.6336 2.6336 3.3489 3.3489 3.3611 3.3611 3.6369 3.6369 3.6419 3.6419 3.8425 3.8425 3.8493 3.8493 3.9671 3.9671 3.9749 3.9749 6.4651 6.4651 7.0353 7.0353 7.3708 7.3708 7.8718 7.8718 8.3038 8.3038 8.6124 8.6124 k = 0.2479 0.4293 0.5297 ( 16054 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1517 -13.1517 -13.1487 -13.1487 -12.1347 -12.1347 -12.1161 -12.1161 -11.9425 -11.9425 -11.9305 -11.9305 -7.9261 -7.9261 -7.9174 -7.9174 -1.4638 -1.4638 -1.1098 -1.1098 -0.5871 -0.5871 -0.2522 -0.2522 0.4694 0.4694 0.6647 0.6647 2.1460 2.1460 2.1645 2.1645 2.6146 2.6146 2.6197 2.6197 3.3556 3.3556 3.3674 3.3674 3.6166 3.6166 3.6227 3.6227 3.8532 3.8532 3.8603 3.8603 3.9821 3.9821 3.9904 3.9904 6.3989 6.3989 6.9723 6.9723 7.3864 7.3864 7.8901 7.8901 8.3253 8.3253 8.6457 8.6457 k = 0.2393 0.4145 0.5297 ( 16058 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1597 -13.1597 -13.1566 -13.1566 -12.1333 -12.1333 -12.1137 -12.1137 -11.9319 -11.9319 -11.9201 -11.9201 -7.9298 -7.9298 -7.9206 -7.9206 -1.5056 -1.5056 -1.1416 -1.1416 -0.5583 -0.5583 -0.2239 -0.2239 0.4758 0.4758 0.6752 0.6752 2.1648 2.1648 2.1828 2.1828 2.6003 2.6003 2.6050 2.6050 3.3618 3.3618 3.3731 3.3731 3.5972 3.5972 3.6047 3.6047 3.8647 3.8647 3.8722 3.8722 3.9968 3.9968 4.0055 4.0055 6.3302 6.3302 6.9047 6.9047 7.4037 7.4037 7.9052 7.9052 8.3489 8.3489 8.6804 8.6804 k = 0.2308 0.3997 0.5297 ( 16070 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1684 -13.1684 -13.1652 -13.1652 -12.1311 -12.1311 -12.1105 -12.1105 -11.9209 -11.9209 -11.9095 -11.9095 -7.9336 -7.9336 -7.9241 -7.9241 -1.5479 -1.5479 -1.1765 -1.1765 -0.5283 -0.5283 -0.1978 -0.1978 0.4855 0.4855 0.6891 0.6891 2.1837 2.1837 2.2011 2.2011 2.5856 2.5856 2.5898 2.5898 3.3667 3.3667 3.3776 3.3776 3.5793 3.5793 3.5888 3.5888 3.8772 3.8772 3.8850 3.8850 4.0110 4.0110 4.0203 4.0203 6.2593 6.2593 6.8337 6.8337 7.4213 7.4213 7.9172 7.9172 8.3743 8.3743 8.7159 8.7159 k = 0.2222 0.3849 0.5297 ( 16062 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1777 -13.1777 -13.1744 -13.1744 -12.1281 -12.1281 -12.1067 -12.1067 -11.9097 -11.9097 -11.8986 -11.8986 -7.9377 -7.9377 -7.9278 -7.9278 -1.5908 -1.5908 -1.2136 -1.2136 -0.4980 -0.4980 -0.1741 -0.1741 0.4991 0.4991 0.7068 0.7068 2.2021 2.2021 2.2188 2.2188 2.5713 2.5713 2.5747 2.5747 3.3697 3.3697 3.3801 3.3801 3.5637 3.5637 3.5758 3.5758 3.8905 3.8905 3.8986 3.8986 4.0247 4.0247 4.0346 4.0346 6.1866 6.1866 6.7604 6.7604 7.4387 7.4387 7.9264 7.9264 8.4011 8.4011 8.7520 8.7520 k = 0.2137 0.3701 0.5297 ( 16066 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1875 -13.1875 -13.1841 -13.1841 -12.1245 -12.1245 -12.1022 -12.1022 -11.8984 -11.8984 -11.8876 -11.8876 -7.9420 -7.9420 -7.9316 -7.9316 -1.6339 -1.6339 -1.2525 -1.2525 -0.4678 -0.4678 -0.1533 -0.1533 0.5169 0.5169 0.7284 0.7284 2.2191 2.2191 2.2350 2.2350 2.5579 2.5579 2.5605 2.5605 3.3700 3.3700 3.3801 3.3801 3.5511 3.5511 3.5665 3.5665 3.9045 3.9045 3.9129 3.9129 4.0379 4.0379 4.0484 4.0484 6.1122 6.1122 6.6852 6.6852 7.4556 7.4556 7.9331 7.9331 8.4289 8.4289 8.7882 8.7882 k = 0.2051 0.3553 0.5297 ( 16086 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.1977 -13.1977 -13.1942 -13.1942 -12.1202 -12.1202 -12.0972 -12.0972 -11.8868 -11.8868 -11.8764 -11.8764 -7.9464 -7.9464 -7.9356 -7.9356 -1.6772 -1.6772 -1.2926 -1.2926 -0.4383 -0.4383 -0.1354 -0.1354 0.5388 0.5388 0.7537 0.7537 2.2338 2.2338 2.2487 2.2487 2.5463 2.5463 2.5484 2.5484 3.3669 3.3669 3.3769 3.3769 3.5424 3.5424 3.5614 3.5614 3.9192 3.9192 3.9277 3.9277 4.0505 4.0505 4.0616 4.0616 6.0365 6.0365 6.6086 6.6086 7.4716 7.4716 7.9374 7.9374 8.4574 8.4574 8.8244 8.8244 k = 0.1966 0.3405 0.5297 ( 16082 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2082 -13.2082 -13.2047 -13.2047 -12.1154 -12.1154 -12.0916 -12.0916 -11.8752 -11.8752 -11.8652 -11.8652 -7.9509 -7.9509 -7.9398 -7.9398 -1.7205 -1.7205 -1.3336 -1.3336 -0.4096 -0.4096 -0.1202 -0.1202 0.5649 0.5649 0.7828 0.7828 2.2450 2.2450 2.2587 2.2587 2.5373 2.5373 2.5398 2.5398 3.3604 3.3604 3.3705 3.3705 3.5378 3.5378 3.5607 3.5607 3.9344 3.9344 3.9430 3.9430 4.0625 4.0625 4.0742 4.0742 5.9597 5.9597 6.5309 6.5309 7.4867 7.4867 7.9396 7.9396 8.4861 8.4861 8.8603 8.8603 k = 0.1880 0.3257 0.5297 ( 16098 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2190 -13.2190 -13.2155 -13.2155 -12.1101 -12.1101 -12.0857 -12.0857 -11.8636 -11.8636 -11.8539 -11.8539 -7.9555 -7.9555 -7.9440 -7.9440 -1.7637 -1.7637 -1.3752 -1.3752 -0.3821 -0.3821 -0.1075 -0.1075 0.5948 0.5948 0.8154 0.8154 2.2517 2.2517 2.2638 2.2638 2.5319 2.5319 2.5359 2.5359 3.3510 3.3510 3.3615 3.3615 3.5370 3.5370 3.5639 3.5639 3.9500 3.9500 3.9587 3.9587 4.0738 4.0738 4.0862 4.0862 5.8821 5.8821 6.4526 6.4526 7.5008 7.5008 7.9399 7.9399 8.5148 8.5148 8.8956 8.8956 k = 0.1795 0.3109 0.5297 ( 16082 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2299 -13.2299 -13.2265 -13.2265 -12.1043 -12.1043 -12.0794 -12.0794 -11.8519 -11.8519 -11.8427 -11.8427 -7.9601 -7.9601 -7.9483 -7.9483 -1.8065 -1.8065 -1.4170 -1.4170 -0.3557 -0.3557 -0.0969 -0.0969 0.6282 0.6282 0.8509 0.8509 2.2529 2.2529 2.2634 2.2634 2.5313 2.5313 2.5371 2.5371 3.3396 3.3396 3.3505 3.3505 3.5395 3.5395 3.5700 3.5700 3.9660 3.9660 3.9745 3.9745 4.0844 4.0844 4.0974 4.0974 5.8038 5.8038 6.3738 6.3738 7.5138 7.5138 7.9384 7.9384 8.5432 8.5432 8.9302 8.9302 k = 0.1709 0.2961 0.5297 ( 16074 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2409 -13.2409 -13.2375 -13.2375 -12.0983 -12.0983 -12.0728 -12.0728 -11.8404 -11.8404 -11.8315 -11.8315 -7.9646 -7.9646 -7.9527 -7.9527 -1.8489 -1.8489 -1.4587 -1.4587 -0.3307 -0.3307 -0.0880 -0.0880 0.6645 0.6645 0.8890 0.8890 2.2486 2.2486 2.2575 2.2575 2.5357 2.5357 2.5432 2.5432 3.3272 3.3272 3.3384 3.3384 3.5444 3.5444 3.5784 3.5784 3.9821 3.9821 3.9904 3.9904 4.0943 4.0943 4.1079 4.1079 5.7252 5.7252 6.2950 6.2950 7.5256 7.5256 7.9353 7.9353 8.5711 8.5711 8.9640 8.9640 k = 0.1624 0.2813 0.5297 ( 16062 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2519 -13.2519 -13.2485 -13.2485 -12.0920 -12.0920 -12.0660 -12.0660 -11.8289 -11.8289 -11.8205 -11.8205 -7.9692 -7.9692 -7.9571 -7.9571 -1.8905 -1.8905 -1.5002 -1.5002 -0.3068 -0.3068 -0.0805 -0.0805 0.7032 0.7032 0.9291 0.9291 2.2394 2.2394 2.2468 2.2468 2.5446 2.5446 2.5535 2.5535 3.3146 3.3146 3.3260 3.3260 3.5509 3.5509 3.5884 3.5884 3.9983 3.9983 4.0062 4.0062 4.1034 4.1034 4.1175 4.1175 5.6466 5.6466 6.2165 6.2165 7.5364 7.5364 7.9307 7.9307 8.5982 8.5982 8.9967 8.9967 k = 0.1538 0.2665 0.5297 ( 16056 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.2628 -13.2628 -13.2595 -13.2595 -12.0855 -12.0855 -12.0592 -12.0592 -11.8176 -11.8176 -11.8096 -11.8096 -7.9736 -7.9736 -7.9614 -7.9614 -1.9314 -1.9314 -1.5411 -1.5411 -0.2842 -0.2842 -0.0739 -0.0739 0.7437 0.7437 0.9706 0.9706 2.2264 2.2264 2.2327 2.2327 2.5570 2.5570 2.5668 2.5668 3.3025 3.3025 3.3141 3.3141 3.5585 3.5585 3.5996 3.5996 4.0144 4.0144 4.0218 4.0218 4.1117 4.1117 4.1263 4.1263 5.5683 5.5683 6.1386 6.1386 7.5460 7.5460 7.9248 7.9248 8.6245 8.6245 9.0282 9.0282 k = 0.1453 0.2517 0.5297 ( 16066 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2735 -13.2735 -13.2703 -13.2703 -12.0790 -12.0790 -12.0522 -12.0522 -11.8065 -11.8065 -11.7990 -11.7990 -7.9780 -7.9780 -7.9658 -7.9658 -1.9712 -1.9712 -1.5812 -1.5812 -0.2628 -0.2628 -0.0680 -0.0680 0.7853 0.7853 1.0127 1.0127 2.2108 2.2108 2.2165 2.2165 2.5718 2.5718 2.5821 2.5821 3.2913 3.2913 3.3030 3.3030 3.5668 3.5668 3.6116 3.6116 4.0303 4.0303 4.0369 4.0369 4.1192 4.1192 4.1340 4.1340 5.4906 5.4906 6.0618 6.0618 7.5546 7.5546 7.9176 7.9176 8.6497 8.6497 9.0585 9.0585 k = 0.1368 0.2369 0.5297 ( 16066 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2840 -13.2840 -13.2809 -13.2809 -12.0724 -12.0724 -12.0454 -12.0454 -11.7956 -11.7956 -11.7886 -11.7886 -7.9821 -7.9821 -7.9701 -7.9701 -2.0098 -2.0098 -1.6203 -1.6203 -0.2424 -0.2424 -0.0625 -0.0625 0.8275 0.8275 1.0548 1.0548 2.1936 2.1936 2.1992 2.1992 2.5878 2.5878 2.5984 2.5984 3.2815 3.2815 3.2932 3.2932 3.5756 3.5756 3.6242 3.6242 4.0456 4.0456 4.0514 4.0514 4.1258 4.1258 4.1405 4.1405 5.4140 5.4140 5.9862 5.9862 7.5622 7.5622 7.9094 7.9094 8.6738 8.6738 9.0874 9.0874 k = 0.1282 0.2221 0.5297 ( 16078 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.2942 -13.2942 -13.2912 -13.2912 -12.0659 -12.0659 -12.0386 -12.0386 -11.7851 -11.7851 -11.7785 -11.7785 -7.9862 -7.9862 -7.9743 -7.9743 -2.0470 -2.0470 -1.6582 -1.6582 -0.2229 -0.2229 -0.0571 -0.0571 0.8696 0.8696 1.0961 1.0961 2.1761 2.1761 2.1819 2.1819 2.6042 2.6042 2.6150 2.6150 3.2733 3.2733 3.2850 3.2850 3.5848 3.5848 3.6372 3.6372 4.0604 4.0604 4.0652 4.0652 4.1313 4.1313 4.1457 4.1457 5.3389 5.3389 5.9125 5.9125 7.5688 7.5688 7.9002 7.9002 8.6968 8.6968 9.1149 9.1149 k = 0.1197 0.2073 0.5297 ( 16076 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3040 -13.3040 -13.3012 -13.3012 -12.0595 -12.0595 -12.0320 -12.0320 -11.7750 -11.7750 -11.7688 -11.7688 -7.9900 -7.9900 -7.9783 -7.9783 -2.0828 -2.0828 -1.6946 -1.6946 -0.2045 -0.2045 -0.0518 -0.0518 0.9110 0.9110 1.1360 1.1360 2.1589 2.1589 2.1653 2.1653 2.6204 2.6204 2.6311 2.6311 3.2669 3.2669 3.2785 3.2785 3.5941 3.5941 3.6507 3.6507 4.0744 4.0744 4.0782 4.0782 4.1356 4.1356 4.1494 4.1494 5.2657 5.2657 5.8410 5.8410 7.5745 7.5745 7.8902 7.8902 8.7184 8.7184 9.1410 9.1410 k = 0.1111 0.1925 0.5297 ( 16076 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3133 -13.3133 -13.3107 -13.3107 -12.0534 -12.0534 -12.0256 -12.0256 -11.7653 -11.7653 -11.7596 -11.7596 -7.9936 -7.9936 -7.9823 -7.9823 -2.1168 -2.1168 -1.7294 -1.7294 -0.1869 -0.1869 -0.0465 -0.0465 0.9510 0.9510 1.1737 1.1737 2.1430 2.1430 2.1499 2.1499 2.6360 2.6360 2.6465 2.6465 3.2624 3.2624 3.2740 3.2740 3.6036 3.6036 3.6647 3.6647 4.0874 4.0874 4.0902 4.0902 4.1386 4.1386 4.1513 4.1513 5.1950 5.1950 5.7722 5.7722 7.5795 7.5795 7.8795 7.8795 8.7387 8.7387 9.1654 9.1654 k = 0.1026 0.1776 0.5297 ( 16088 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3222 -13.3222 -13.3198 -13.3198 -12.0474 -12.0474 -12.0195 -12.0195 -11.7560 -11.7560 -11.7508 -11.7508 -7.9969 -7.9969 -7.9861 -7.9861 -2.1490 -2.1490 -1.7624 -1.7624 -0.1702 -0.1702 -0.0412 -0.0412 0.9891 0.9891 1.2086 1.2086 2.1289 2.1289 2.1364 2.1364 2.6504 2.6504 2.6607 2.6607 3.2599 3.2599 3.2714 3.2714 3.6135 3.6135 3.6791 3.6791 4.0993 4.0993 4.1012 4.1012 4.1401 4.1401 4.1511 4.1511 5.1274 5.1274 5.7065 5.7065 7.5838 7.5838 7.8684 7.8684 8.7577 8.7577 9.1882 9.1882 k = 0.0940 0.1628 0.5297 ( 16084 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3305 -13.3305 -13.3283 -13.3283 -12.0418 -12.0418 -12.0137 -12.0137 -11.7473 -11.7473 -11.7425 -11.7425 -8.0000 -8.0000 -7.9897 -7.9897 -2.1792 -2.1792 -1.7934 -1.7934 -0.1543 -0.1543 -0.0358 -0.0358 1.0248 1.0248 1.2401 1.2401 2.1171 2.1171 2.1251 2.1251 2.6636 2.6636 2.6735 2.6735 3.2594 3.2594 3.2708 3.2708 3.6236 3.6236 3.6940 3.6940 4.1099 4.1099 4.1110 4.1110 4.1398 4.1398 4.1486 4.1486 5.0635 5.0635 5.6445 5.6445 7.5875 7.5875 7.8569 7.8569 8.7752 8.7752 9.2093 9.2093 k = 0.0855 0.1480 0.5297 ( 16088 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3383 -13.3383 -13.3362 -13.3362 -12.0365 -12.0365 -12.0083 -12.0083 -11.7391 -11.7391 -11.7347 -11.7347 -8.0028 -8.0028 -7.9931 -7.9931 -2.2072 -2.2072 -1.8222 -1.8222 -0.1394 -0.1394 -0.0304 -0.0304 1.0575 1.0575 1.2677 1.2677 2.1079 2.1079 2.1164 2.1164 2.6752 2.6752 2.6848 2.6848 3.2608 3.2608 3.2720 3.2720 3.6342 3.6342 3.7095 3.7095 4.1185 4.1185 4.1195 4.1195 4.1376 4.1376 4.1440 4.1440 5.0040 5.0040 5.5865 5.5865 7.5907 7.5907 7.8452 7.8452 8.7913 8.7913 9.2288 9.2288 k = 0.0769 0.1332 0.5297 ( 16096 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3454 -13.3454 -13.3435 -13.3435 -12.0316 -12.0316 -12.0033 -12.0033 -11.7316 -11.7316 -11.7276 -11.7276 -8.0053 -8.0053 -7.9963 -7.9963 -2.2331 -2.2331 -1.8488 -1.8488 -0.1255 -0.1255 -0.0252 -0.0252 1.0870 1.0870 1.2913 1.2913 2.1012 2.1012 2.1105 2.1105 2.6853 2.6853 2.6946 2.6946 3.2637 3.2637 3.2748 3.2748 3.6454 3.6454 3.7258 3.7258 4.1223 4.1223 4.1256 4.1256 4.1351 4.1351 4.1393 4.1393 4.9496 4.9496 5.5332 5.5332 7.5934 7.5934 7.8337 7.8337 8.8059 8.8059 9.2464 9.2464 k = 0.0684 0.1184 0.5297 ( 16108 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3519 -13.3519 -13.3502 -13.3502 -12.0271 -12.0271 -11.9987 -11.9987 -11.7248 -11.7248 -11.7211 -11.7211 -8.0075 -8.0075 -7.9993 -7.9993 -2.2565 -2.2565 -1.8729 -1.8729 -0.1126 -0.1126 -0.0200 -0.0200 1.1129 1.1129 1.3107 1.3107 2.0969 2.0969 2.1073 2.1073 2.6939 2.6939 2.7029 2.7029 3.2680 3.2680 3.2789 3.2789 3.6574 3.6574 3.7429 3.7429 4.1163 4.1163 4.1219 4.1219 4.1376 4.1376 4.1410 4.1410 4.9008 4.9008 5.4848 5.4848 7.5959 7.5959 7.8224 7.8224 8.8190 8.8190 9.2623 9.2623 k = 0.0598 0.1036 0.5297 ( 16096 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3576 -13.3576 -13.3561 -13.3561 -12.0230 -12.0230 -11.9946 -11.9946 -11.7186 -11.7186 -11.7152 -11.7152 -8.0094 -8.0094 -8.0021 -8.0021 -2.2774 -2.2774 -1.8945 -1.8945 -0.1009 -0.1009 -0.0151 -0.0151 1.1352 1.1352 1.3261 1.3261 2.0949 2.0949 2.1067 2.1067 2.7010 2.7010 2.7097 2.7097 3.2733 3.2733 3.2840 3.2840 3.6702 3.6702 3.7609 3.7609 4.1030 4.1030 4.1114 4.1114 4.1430 4.1430 4.1459 4.1459 4.8582 4.8582 5.4417 5.4417 7.5981 7.5981 7.8117 7.8117 8.8306 8.8306 9.2764 9.2764 k = 0.0513 0.0888 0.5297 ( 16110 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3627 -13.3627 -13.3614 -13.3614 -12.0195 -12.0195 -11.9910 -11.9910 -11.7132 -11.7132 -11.7101 -11.7101 -8.0110 -8.0110 -8.0046 -8.0046 -2.2957 -2.2957 -1.9134 -1.9134 -0.0904 -0.0904 -0.0106 -0.0106 1.1539 1.1539 1.3379 1.3379 2.0946 2.0946 2.1081 2.1081 2.7067 2.7067 2.7152 2.7152 3.2792 3.2792 3.2897 3.2897 3.6840 3.6840 3.7797 3.7797 4.0856 4.0856 4.0977 4.0977 4.1479 4.1479 4.1507 4.1507 4.8219 4.8219 5.4042 5.4042 7.6001 7.6001 7.8016 7.8016 8.8407 8.8407 9.2887 9.2887 k = 0.0427 0.0740 0.5297 ( 16122 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3670 -13.3670 -13.3659 -13.3659 -12.0164 -12.0164 -11.9879 -11.9879 -11.7085 -11.7085 -11.7057 -11.7057 -8.0122 -8.0122 -8.0068 -8.0068 -2.3114 -2.3114 -1.9296 -1.9296 -0.0813 -0.0813 -0.0066 -0.0066 1.1691 1.1691 1.3465 1.3465 2.0957 2.0957 2.1110 2.1110 2.7111 2.7111 2.7195 2.7195 3.2851 3.2851 3.2954 3.2954 3.6985 3.6985 3.7994 3.7994 4.0658 4.0658 4.0814 4.0814 4.1521 4.1521 4.1548 4.1548 4.7921 4.7921 5.3724 5.3724 7.6019 7.6019 7.7926 7.7926 8.8492 8.8492 9.2991 9.2991 k = 0.0342 0.0592 0.5297 ( 16122 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3705 -13.3705 -13.3696 -13.3696 -12.0139 -12.0139 -11.9853 -11.9853 -11.7047 -11.7047 -11.7021 -11.7021 -8.0131 -8.0131 -8.0087 -8.0087 -2.3243 -2.3243 -1.9429 -1.9429 -0.0736 -0.0736 -0.0032 -0.0032 1.1810 1.1810 1.3525 1.3525 2.0976 2.0976 2.1145 2.1145 2.7145 2.7145 2.7228 2.7228 3.2908 3.2908 3.3008 3.3008 3.7135 3.7135 3.8194 3.8194 4.0449 4.0449 4.0631 4.0631 4.1556 4.1556 4.1582 4.1582 4.7686 4.7686 5.3465 5.3465 7.6034 7.6034 7.7847 7.7847 8.8562 8.8562 9.3076 9.3076 k = 0.0256 0.0444 0.5297 ( 16130 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3732 -13.3732 -13.3725 -13.3725 -12.0119 -12.0119 -11.9833 -11.9833 -11.7017 -11.7017 -11.6993 -11.6993 -8.0137 -8.0137 -8.0104 -8.0104 -2.3345 -2.3345 -1.9533 -1.9533 -0.0675 -0.0675 -0.0004 -0.0004 1.1899 1.1899 1.3565 1.3565 2.0998 2.0998 2.1181 2.1181 2.7170 2.7170 2.7252 2.7252 3.2958 3.2958 3.3054 3.3054 3.7282 3.7282 3.8390 3.8390 4.0250 4.0250 4.0437 4.0437 4.1582 4.1582 4.1608 4.1608 4.7509 4.7509 5.3264 5.3264 7.6047 7.6047 7.7783 7.7783 8.8617 8.8617 9.3142 9.3142 k = 0.0171 0.0296 0.5297 ( 16128 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3751 -13.3751 -13.3747 -13.3747 -12.0105 -12.0105 -11.9819 -11.9819 -11.6995 -11.6995 -11.6972 -11.6972 -8.0140 -8.0140 -8.0117 -8.0117 -2.3417 -2.3417 -1.9608 -1.9608 -0.0631 -0.0631 0.0017 0.0017 1.1961 1.1961 1.3590 1.3590 2.1018 2.1018 2.1212 2.1212 2.7186 2.7186 2.7268 2.7268 3.2996 3.2996 3.3089 3.3089 3.7411 3.7411 3.8567 3.8567 4.0086 4.0086 4.0248 4.0248 4.1601 4.1601 4.1626 4.1626 4.7386 4.7386 5.3121 5.3121 7.6057 7.6057 7.7736 7.7736 8.8656 8.8656 9.3190 9.3190 k = 0.0085 0.0148 0.5297 ( 16112 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3762 -13.3762 -13.3760 -13.3760 -12.0097 -12.0097 -11.9810 -11.9810 -11.6982 -11.6982 -11.6960 -11.6960 -8.0139 -8.0139 -8.0128 -8.0128 -2.3461 -2.3461 -1.9653 -1.9653 -0.0604 -0.0604 0.0029 0.0029 1.1997 1.1997 1.3603 1.3603 2.1031 2.1031 2.1232 2.1232 2.7195 2.7195 2.7278 2.7278 3.3020 3.3020 3.3111 3.3111 3.7503 3.7503 3.8698 3.8698 3.9990 3.9990 4.0088 4.0088 4.1612 4.1612 4.1637 4.1637 4.7315 4.7315 5.3036 5.3036 7.6063 7.6063 7.7707 7.7707 8.8679 8.8679 9.3218 9.3218 k = 0.0000 0.0000 0.5297 ( 16124 PWs) bands (ev): -38.9801 -38.9801 -38.9801 -38.9801 -13.3766 -13.3766 -13.3765 -13.3765 -12.0094 -12.0094 -11.9807 -11.9807 -11.6978 -11.6978 -11.6956 -11.6956 -8.0136 -8.0136 -8.0134 -8.0134 -2.3475 -2.3475 -1.9668 -1.9668 -0.0595 -0.0595 0.0033 0.0033 1.2009 1.2009 1.3607 1.3607 2.1036 2.1036 2.1239 2.1239 2.7199 2.7199 2.7281 2.7281 3.3029 3.3029 3.3119 3.3119 3.7536 3.7536 3.8748 3.8748 3.9988 3.9988 3.9995 3.9995 4.1616 4.1616 4.1641 4.1641 4.7291 4.7291 5.3008 5.3008 7.6065 7.6065 7.7697 7.7697 8.8687 8.8687 9.3228 9.3228 k = 0.5000 0.2887 0.5297 ( 16072 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1451 -13.1451 -13.1447 -13.1447 -12.1680 -12.1680 -12.1620 -12.1620 -11.9017 -11.9017 -11.8998 -11.8998 -7.9268 -7.9268 -7.9260 -7.9260 -1.3988 -1.3988 -1.1224 -1.1224 -0.4567 -0.4567 -0.3344 -0.3344 0.4209 0.4209 0.5578 0.5578 2.0955 2.0955 2.1072 2.1072 2.6910 2.6910 2.6984 2.6984 3.2954 3.2954 3.3025 3.3025 3.7307 3.7307 3.7343 3.7343 3.8801 3.8801 3.8837 3.8837 3.9443 3.9443 3.9494 3.9494 6.3471 6.3471 6.8309 6.8309 7.5574 7.5574 7.7800 7.7800 8.4047 8.4047 8.6617 8.6617 k = 0.5000 0.2887 0.5126 ( 16060 PWs) bands (ev): -38.9810 -38.9810 -38.9791 -38.9791 -13.1639 -13.1631 -13.1269 -13.1269 -12.1789 -12.1720 -12.1560 -12.1509 -11.9133 -11.9111 -11.8902 -11.8885 -7.9573 -7.9555 -7.8969 -7.8967 -1.4377 -1.3585 -1.1655 -1.0770 -0.5237 -0.3898 -0.3885 -0.2814 0.3853 0.4554 0.5377 0.5790 2.0935 2.0985 2.1051 2.1103 2.6834 2.6906 2.6992 2.7068 3.2791 3.2858 3.3113 3.3189 3.7082 3.7109 3.7505 3.7552 3.8679 3.8727 3.8870 3.8900 3.9261 3.9325 3.9683 3.9719 6.2960 6.3992 6.7762 6.8876 7.4883 7.6240 7.7272 7.8289 8.3614 8.4473 8.6429 8.6822 k = 0.5000 0.2887 0.4955 ( 16066 PWs) bands (ev): -38.9819 -38.9819 -38.9782 -38.9782 -13.1830 -13.1819 -13.1098 -13.1094 -12.1885 -12.1808 -12.1429 -12.1388 -11.9250 -11.9224 -11.8788 -11.8773 -7.9880 -7.9853 -7.8681 -7.8671 -1.4750 -1.3174 -1.2064 -1.0295 -0.5901 -0.4425 -0.3231 -0.2307 0.3489 0.4886 0.5194 0.6004 2.0927 2.1026 2.1039 2.1144 2.6765 2.6835 2.7078 2.7156 3.2625 3.2688 3.3265 3.3347 3.6846 3.6866 3.7649 3.7709 3.8582 3.8640 3.8750 3.8799 3.9266 3.9322 3.9928 3.9952 6.2463 6.4514 6.7236 6.9455 7.4171 7.6716 7.6879 7.8728 8.3174 8.4887 8.6266 8.7034 k = 0.5000 0.2887 0.4784 ( 16056 PWs) bands (ev): -38.9828 -38.9828 -38.9773 -38.9773 -13.2025 -13.2011 -13.0935 -13.0927 -12.1966 -12.1881 -12.1291 -12.1261 -11.9366 -11.9335 -11.8677 -11.8662 -8.0189 -8.0152 -7.8399 -7.8379 -1.5104 -1.2760 -1.2447 -0.9802 -0.6557 -0.4954 -0.2575 -0.1838 0.3120 0.5041 0.5204 0.6218 2.0929 2.1038 2.1077 2.1194 2.6705 2.6771 2.7169 2.7247 3.2457 3.2516 3.3408 3.3499 3.6609 3.6621 3.7699 3.7763 3.8509 3.8557 3.8574 3.8657 3.9382 3.9429 4.0164 4.0178 6.1988 6.5029 6.6737 7.0044 7.3442 7.6143 7.7484 7.9104 8.2735 8.5289 8.6140 8.7247 k = 0.5000 0.2887 0.4613 ( 16072 PWs) bands (ev): -38.9837 -38.9837 -38.9764 -38.9764 -13.2221 -13.2204 -13.0781 -13.0769 -12.2031 -12.1940 -12.1145 -12.1128 -11.9481 -11.9443 -11.8569 -11.8554 -8.0498 -8.0452 -7.8122 -7.8093 -1.5437 -1.2806 -1.2354 -0.9295 -0.7200 -0.5458 -0.1938 -0.1424 0.2755 0.4933 0.5508 0.6427 2.0941 2.1047 2.1137 2.1251 2.6654 2.6715 2.7262 2.7340 3.2285 3.2342 3.3537 3.3638 3.6379 3.6383 3.7642 3.7696 3.8253 3.8328 3.8663 3.8726 3.9515 3.9557 4.0387 4.0393 6.1539 6.5527 6.6268 7.0631 7.2703 7.5564 7.8047 7.9406 8.2305 8.5677 8.6062 8.7457 k = 0.5000 0.2887 0.4442 ( 16078 PWs) bands (ev): -38.9845 -38.9845 -38.9755 -38.9755 -13.2417 -13.2399 -13.0639 -13.0623 -12.2079 -12.1981 -12.0995 -12.0993 -11.9593 -11.9545 -11.8464 -11.8450 -8.0807 -8.0753 -7.7852 -7.7815 -1.5747 -1.3139 -1.1968 -0.8793 -0.7807 -0.5922 -0.1335 -0.1083 0.2408 0.4886 0.5797 0.6628 2.0964 2.1064 2.1204 2.1316 2.6615 2.6670 2.7355 2.7433 3.2111 3.2164 3.3645 3.3759 3.6159 3.6165 3.7510 3.7553 3.7995 3.8086 3.8815 3.8865 3.9644 3.9685 4.0593 4.0594 6.1122 6.5831 6.5994 7.1171 7.1996 7.4992 7.8553 7.9625 8.1900 8.6044 8.6052 8.7659 k = 0.5000 0.2887 0.4271 ( 16070 PWs) bands (ev): -38.9854 -38.9854 -38.9747 -38.9747 -13.2613 -13.2593 -13.0508 -13.0488 -12.2109 -12.2005 -12.0861 -12.0843 -11.9701 -11.9639 -11.8363 -11.8348 -8.1114 -8.1052 -7.7589 -7.7544 -1.6033 -1.3447 -1.1623 -0.8621 -0.8057 -0.6324 -0.0832 -0.0802 0.2112 0.4916 0.6073 0.6822 2.0995 2.1089 2.1279 2.1387 2.6587 2.6636 2.7449 2.7526 3.1934 3.1983 3.3721 3.3853 3.5961 3.5979 3.7339 3.7374 3.7745 3.7852 3.8988 3.9029 3.9765 3.9806 4.0778 4.0780 6.0741 6.5430 6.6414 7.1029 7.1956 7.4445 7.8970 7.9753 8.1555 8.6092 8.6412 8.7850 k = 0.5000 0.2887 0.4101 ( 16082 PWs) bands (ev): -38.9863 -38.9863 -38.9738 -38.9738 -13.2808 -13.2786 -13.0390 -13.0366 -12.2120 -12.2010 -12.0737 -12.0693 -11.9802 -11.9718 -11.8266 -11.8252 -8.1420 -8.1350 -7.7334 -7.7281 -1.6295 -1.3728 -1.1346 -0.9143 -0.7585 -0.6635 -0.0683 -0.0406 0.1935 0.5034 0.6335 0.7005 2.1034 2.1122 2.1359 2.1463 2.6571 2.6614 2.7541 2.7617 3.1752 3.1798 3.3755 3.3906 3.5803 3.5833 3.7150 3.7180 3.7508 3.7632 3.9160 3.9197 3.9874 3.9916 4.0944 4.0947 6.0398 6.5066 6.6765 7.0286 7.2496 7.3943 7.9235 7.9794 8.1336 8.6204 8.6758 8.8029 k = 0.5000 0.2887 0.3930 ( 16082 PWs) bands (ev): -38.9871 -38.9871 -38.9730 -38.9730 -13.3000 -13.2977 -13.0285 -13.0257 -12.2112 -12.1997 -12.0632 -12.0555 -11.9886 -11.9773 -11.8174 -11.8160 -8.1722 -8.1645 -7.7087 -7.7027 -1.6532 -1.3984 -1.1172 -0.9720 -0.7029 -0.6822 -0.0638 -0.0249 0.1979 0.5241 0.6584 0.7177 2.1080 2.1160 2.1443 2.1541 2.6569 2.6604 2.7630 2.7706 3.1565 3.1607 3.3734 3.3903 3.5698 3.5736 3.6953 3.6979 3.7291 3.7434 3.9323 3.9359 3.9971 4.0013 4.1093 4.1095 6.0098 6.4742 6.7018 6.9493 7.3059 7.3513 7.9276 7.9755 8.1320 8.6375 8.7091 8.8195 k = 0.5000 0.2887 0.3759 ( 16082 PWs) bands (ev): -38.9879 -38.9879 -38.9721 -38.9721 -13.3189 -13.3165 -13.0194 -13.0162 -12.2084 -12.1965 -12.0561 -12.0447 -11.9936 -11.9791 -11.8088 -11.8073 -8.2020 -8.1936 -7.6849 -7.6782 -1.6743 -1.4214 -1.1127 -1.0287 -0.6858 -0.6458 -0.0684 -0.0354 0.2266 0.5526 0.6822 0.7339 2.1130 2.1202 2.1529 2.1621 2.6581 2.6608 2.7715 2.7791 3.1371 3.1410 3.3656 3.3837 3.5653 3.5689 3.6753 3.6778 3.7100 3.7266 3.9472 3.9510 4.0054 4.0098 4.1222 4.1224 5.9839 6.4457 6.7143 6.8686 7.3186 7.3601 7.9111 7.9651 8.1498 8.6593 8.7410 8.8348 k = 0.5000 0.2887 0.3588 ( 16076 PWs) bands (ev): -38.9888 -38.9888 -38.9713 -38.9713 -13.3374 -13.3349 -13.0116 -13.0082 -12.2036 -12.1914 -12.0537 -12.0404 -11.9918 -11.9758 -11.8009 -11.7993 -8.2312 -8.2223 -7.6620 -7.6548 -1.6928 -1.4421 -1.1215 -1.0832 -0.6744 -0.5888 -0.0804 -0.0621 0.2702 0.5873 0.7051 0.7489 2.1184 2.1246 2.1615 2.1701 2.6607 2.6625 2.7794 2.7871 3.1170 3.1204 3.3526 3.3713 3.5659 3.5683 3.6555 3.6579 3.6943 3.7136 3.9606 3.9647 4.0122 4.0168 4.1332 4.1338 5.9624 6.4209 6.7114 6.7875 7.2984 7.4099 7.8848 7.9498 8.1779 8.6842 8.7718 8.8488 k = 0.5000 0.2887 0.3417 ( 16084 PWs) bands (ev): -38.9895 -38.9895 -38.9705 -38.9705 -13.3554 -13.3528 -13.0051 -13.0015 -12.1969 -12.1845 -12.0556 -12.0432 -11.9825 -11.9678 -11.7935 -11.7920 -8.2599 -8.2504 -7.6401 -7.6324 -1.7089 -1.4606 -1.1412 -1.1352 -0.6510 -0.5332 -0.0973 -0.0952 0.3194 0.6264 0.7272 0.7628 2.1239 2.1291 2.1701 2.1780 2.6648 2.6658 2.7868 2.7945 3.0961 3.0990 3.3356 3.3544 3.5697 3.5698 3.6361 3.6385 3.6829 3.7055 3.9722 3.9770 4.0176 4.0225 4.1426 4.1437 5.9449 6.3993 6.6926 6.7068 7.2910 7.4522 7.8586 7.9316 8.2092 8.7107 8.8014 8.8618 k = 0.5000 0.2887 0.3246 ( 16076 PWs) bands (ev): -38.9903 -38.9903 -38.9698 -38.9698 -13.3728 -13.3703 -13.0000 -12.9962 -12.1885 -12.1759 -12.0606 -12.0499 -11.9693 -11.9567 -11.7869 -11.7853 -8.2878 -8.2780 -7.6192 -7.6111 -1.7225 -1.4773 -1.1840 -1.1679 -0.6202 -0.4816 -0.1280 -0.1166 0.3699 0.6681 0.7488 0.7756 2.1293 2.1334 2.1784 2.1855 2.6703 2.6704 2.7933 2.8012 3.0741 3.0766 3.3160 3.3346 3.5716 3.5741 3.6175 3.6199 3.6773 3.7033 3.9820 3.9877 4.0216 4.0266 4.1505 4.1521 5.9311 6.3797 6.6278 6.6596 7.2942 7.4824 7.8404 7.9123 8.2400 8.7371 8.8299 8.8744 k = 0.5000 0.2887 0.3075 ( 16084 PWs) bands (ev): -38.9910 -38.9910 -38.9691 -38.9691 -13.3897 -13.3872 -12.9960 -12.9921 -12.1784 -12.1658 -12.0671 -12.0579 -11.9544 -11.9437 -11.7811 -11.7794 -8.3149 -8.3048 -7.5993 -7.5909 -1.7338 -1.4926 -1.2290 -1.1985 -0.5868 -0.4393 -0.1535 -0.1354 0.4191 0.7109 0.7702 0.7874 2.1344 2.1374 2.1862 2.1927 2.6766 2.6772 2.7989 2.8071 3.0512 3.0533 3.2948 3.3131 3.5724 3.5771 3.5997 3.6022 3.6785 3.7075 3.9902 3.9970 4.0240 4.0294 4.1573 4.1592 5.9204 6.3594 6.5533 6.6161 7.3043 7.4954 7.8370 7.8938 8.2689 8.7618 8.8575 8.8873 k = 0.5000 0.2887 0.2905 ( 16086 PWs) bands (ev): -38.9917 -38.9917 -38.9684 -38.9684 -13.4059 -13.4034 -12.9931 -12.9892 -12.1669 -12.1542 -12.0743 -12.0663 -11.9392 -11.9299 -11.7760 -11.7744 -8.3411 -8.3308 -7.5805 -7.5719 -1.7430 -1.5074 -1.2694 -1.2304 -0.5557 -0.4153 -0.1618 -0.1502 0.4656 0.7536 0.7918 0.7984 2.1390 2.1407 2.1935 2.1992 2.6842 2.6855 2.8035 2.8121 3.0273 3.0291 3.2728 3.2907 3.5721 3.5780 3.5831 3.5859 3.6864 3.7177 3.9969 4.0049 4.0251 4.0307 4.1630 4.1652 5.9119 6.3319 6.4899 6.5657 7.3170 7.4891 7.8512 7.8778 8.2950 8.7828 8.8842 8.9018 k = 0.5000 0.2887 0.2734 ( 16078 PWs) bands (ev): -38.9924 -38.9924 -38.9677 -38.9677 -13.4215 -13.4190 -12.9912 -12.9873 -12.1541 -12.1414 -12.0817 -12.0745 -11.9239 -11.9158 -11.7719 -11.7702 -8.3663 -8.3559 -7.5628 -7.5540 -1.7503 -1.5226 -1.3041 -1.2619 -0.5322 -0.4176 -0.1564 -0.1446 0.5085 0.7931 0.8108 0.8139 2.1428 2.1433 2.2001 2.2051 2.6931 2.6951 2.8068 2.8161 3.0025 3.0042 3.2505 3.2681 3.5676 3.5696 3.5715 3.5790 3.7000 3.7329 4.0024 4.0118 4.0248 4.0306 4.1678 4.1700 5.9045 6.2874 6.4473 6.5123 7.3284 7.4665 7.8664 7.8803 8.3178 8.7986 8.9100 8.9187 k = 0.5000 0.2887 0.2563 ( 16092 PWs) bands (ev): -38.9930 -38.9930 -38.9670 -38.9670 -13.4362 -13.4339 -12.9902 -12.9864 -12.1405 -12.1279 -12.0887 -12.0820 -11.9088 -11.9017 -11.7685 -11.7669 -8.3905 -8.3800 -7.5462 -7.5373 -1.7560 -1.5393 -1.3319 -1.2917 -0.5210 -0.4423 -0.1500 -0.1058 0.5470 0.8122 0.8370 0.8411 2.1449 2.1457 2.2059 2.2102 2.7034 2.7058 2.8087 2.8189 2.9770 2.9789 3.2284 3.2456 3.5536 3.5558 3.5711 3.5788 3.7179 3.7520 4.0069 4.0177 4.0234 4.0292 4.1717 4.1738 5.8965 6.2243 6.4272 6.4590 7.3356 7.4332 7.8611 7.9191 8.3371 8.8086 8.9349 8.9384 k = 0.5000 0.2887 0.2392 ( 16086 PWs) bands (ev): -38.9937 -38.9937 -38.9664 -38.9664 -13.4502 -13.4479 -12.9899 -12.9862 -12.1269 -12.1152 -12.0938 -12.0882 -11.8943 -11.8880 -11.7661 -11.7646 -8.4134 -8.4030 -7.5306 -7.5219 -1.7605 -1.5584 -1.3519 -1.3187 -0.5243 -0.4798 -0.1291 -0.0547 0.5805 0.8204 0.8612 0.8794 2.1452 2.1474 2.2109 2.2145 2.7147 2.7176 2.8089 2.8203 2.9512 2.9538 3.2068 3.2236 3.5411 3.5433 3.5717 3.5798 3.7390 3.7743 4.0104 4.0210 4.0226 4.0270 4.1748 4.1766 5.8860 6.1508 6.4091 6.4211 7.3365 7.3937 7.8631 7.9633 8.3529 8.8130 8.9590 8.9603 k = 0.5000 0.2887 0.2221 ( 16078 PWs) bands (ev): -38.9942 -38.9942 -38.9658 -38.9658 -13.4634 -13.4612 -12.9903 -12.9867 -12.1165 -12.1104 -12.0900 -12.0899 -11.8802 -11.8746 -11.7647 -11.7632 -8.4352 -8.4249 -7.5162 -7.5076 -1.7641 -1.5801 -1.3639 -1.3421 -0.5407 -0.5238 -0.0955 0.0023 0.6088 0.8265 0.8865 0.9162 2.1441 2.1478 2.2150 2.2181 2.7270 2.7301 2.8069 2.8201 2.9258 2.9296 3.1858 3.2022 3.5301 3.5322 3.5735 3.5820 3.7627 3.7992 4.0118 4.0196 4.0218 4.0289 4.1770 4.1783 5.8706 6.0732 6.3658 6.4228 7.3303 7.3511 7.8726 8.0103 8.3650 8.8127 8.9822 8.9832 k = 0.5000 0.2887 0.2050 ( 16066 PWs) bands (ev): -38.9948 -38.9948 -38.9653 -38.9653 -13.4757 -13.4736 -12.9911 -12.9876 -12.1149 -12.1145 -12.0820 -12.0761 -11.8669 -11.8619 -11.7641 -11.7627 -8.4556 -8.4456 -7.5028 -7.4945 -1.7672 -1.6039 -1.3684 -1.3612 -0.5711 -0.5668 -0.0525 0.0619 0.6319 0.8311 0.9128 0.9508 2.1414 2.1465 2.2182 2.2208 2.7401 2.7433 2.8022 2.8176 2.9018 2.9073 3.1658 3.1816 3.5205 3.5226 3.5767 3.5857 3.7885 3.8263 4.0087 4.0171 4.0216 4.0338 4.1783 4.1790 5.8480 5.9947 6.3318 6.4291 7.3072 7.3173 7.8889 8.0584 8.3734 8.8085 9.0044 9.0061 k = 0.5000 0.2887 0.1879 ( 16062 PWs) bands (ev): -38.9953 -38.9953 -38.9648 -38.9648 -13.4871 -13.4852 -12.9922 -12.9890 -12.1202 -12.1188 -12.0675 -12.0600 -11.8543 -11.8499 -11.7646 -11.7633 -8.4746 -8.4650 -7.4905 -7.4825 -1.7705 -1.6287 -1.3753 -1.3665 -0.6201 -0.5995 -0.0037 0.1223 0.6500 0.8344 0.9396 0.9827 2.1371 2.1436 2.2205 2.2227 2.7535 2.7567 2.7944 2.8120 2.8805 2.8880 3.1468 3.1620 3.5125 3.5145 3.5813 3.5906 3.8162 3.8550 4.0032 4.0112 4.0257 4.0389 4.1786 4.1787 5.8169 5.9167 6.3090 6.4383 7.2632 7.2984 7.9109 8.1068 8.3784 8.8010 9.0254 9.0284 k = 0.5000 0.2887 0.1709 ( 16066 PWs) bands (ev): -38.9957 -38.9957 -38.9643 -38.9643 -13.4976 -13.4958 -12.9937 -12.9907 -12.1258 -12.1240 -12.0510 -12.0433 -11.8426 -11.8386 -11.7660 -11.7649 -8.4921 -8.4831 -7.4794 -7.4718 -1.7741 -1.6535 -1.3839 -1.3593 -0.6697 -0.6364 0.0485 0.1822 0.6637 0.8361 0.9663 1.0118 2.1311 2.1389 2.2221 2.2239 2.7667 2.7697 2.7839 2.8023 2.8639 2.8724 3.1290 3.1436 3.5059 3.5078 3.5871 3.5967 3.8456 3.8852 3.9967 4.0045 4.0305 4.0444 4.1773 4.1780 5.7775 5.8404 6.2975 6.4494 7.2201 7.2751 7.9372 8.1546 8.3800 8.7906 9.0453 9.0496 k = 0.5000 0.2887 0.1538 ( 16082 PWs) bands (ev): -38.9961 -38.9961 -38.9639 -38.9639 -13.5072 -13.5056 -12.9952 -12.9925 -12.1311 -12.1293 -12.0339 -12.0265 -11.8317 -11.8282 -11.7683 -11.7674 -8.5081 -8.4997 -7.4692 -7.4622 -1.7782 -1.6776 -1.3868 -1.3478 -0.7193 -0.6759 0.1022 0.2409 0.6735 0.8363 0.9924 1.0379 2.1234 2.1324 2.2231 2.2246 2.7675 2.7765 2.7855 2.7914 2.8526 2.8606 3.1124 3.1263 3.5007 3.5024 3.5938 3.6037 3.8762 3.9163 3.9895 3.9971 4.0362 4.0502 4.1749 4.1764 5.7314 5.7666 6.2963 6.4614 7.1787 7.2486 7.9664 8.2017 8.3783 8.7776 9.0639 9.0691 k = 0.5000 0.2887 0.1367 ( 16066 PWs) bands (ev): -38.9965 -38.9965 -38.9635 -38.9635 -13.5158 -13.5143 -12.9968 -12.9944 -12.1359 -12.1342 -12.0168 -12.0098 -11.8219 -11.8187 -11.7714 -11.7708 -8.5225 -8.5148 -7.4602 -7.4537 -1.7829 -1.7003 -1.3841 -1.3327 -0.7684 -0.7168 0.1561 0.2974 0.6798 0.8347 1.0173 1.0611 2.1144 2.1242 2.2234 2.2247 2.7526 2.7667 2.7972 2.7981 2.8452 2.8516 3.0974 3.1104 3.4966 3.4981 3.6011 3.6111 3.9078 3.9477 3.9821 3.9894 4.0426 4.0566 4.1715 4.1738 5.6810 5.6963 6.3033 6.4736 7.1398 7.2201 7.9975 8.2478 8.3735 8.7622 9.0811 9.0869 k = 0.5000 0.2887 0.1196 ( 16076 PWs) bands (ev): -38.9969 -38.9969 -38.9632 -38.9632 -13.5234 -13.5221 -12.9984 -12.9963 -12.1403 -12.1387 -12.0000 -11.9936 -11.8131 -11.8102 -11.7753 -11.7750 -8.5353 -8.5283 -7.4522 -7.4464 -1.7881 -1.7211 -1.3758 -1.3148 -0.8163 -0.7584 0.2091 0.3508 0.6834 0.8312 1.0406 1.0811 2.1043 2.1146 2.2233 2.2244 2.7373 2.7500 2.8086 2.8106 2.8404 2.8447 3.0838 3.0959 3.4936 3.4950 3.6089 3.6186 3.9393 3.9750 3.9788 3.9815 4.0497 4.0633 4.1672 4.1704 5.6289 5.6304 6.3165 6.4849 7.1043 7.1905 8.0296 8.2926 8.3657 8.7445 9.0966 9.1028 k = 0.5000 0.2887 0.1025 ( 16062 PWs) bands (ev): -38.9971 -38.9971 -38.9629 -38.9629 -13.5301 -13.5289 -12.9999 -12.9981 -12.1440 -12.1427 -11.9838 -11.9780 -11.8054 -11.8029 -11.7799 -11.7799 -8.5464 -8.5403 -7.4452 -7.4401 -1.7932 -1.7399 -1.3626 -1.2948 -0.8625 -0.8000 0.2605 0.3998 0.6850 0.8255 1.0619 1.0981 2.0936 2.1040 2.2230 2.2239 2.7231 2.7338 2.8185 2.8220 2.8380 2.8392 3.0719 3.0829 3.4915 3.4926 3.6168 3.6260 3.9629 3.9736 3.9758 4.0087 4.0575 4.0706 4.1620 4.1660 5.5700 5.5773 6.3343 6.4944 7.0731 7.1607 8.0621 8.3358 8.3553 8.7246 9.1105 9.1166 k = 0.5000 0.2887 0.0854 ( 16062 PWs) bands (ev): -38.9974 -38.9974 -38.9627 -38.9627 -13.5357 -13.5347 -13.0013 -12.9997 -12.1472 -12.1461 -11.9686 -11.9635 -11.7992 -11.7967 -11.7851 -11.7846 -8.5558 -8.5505 -7.4393 -7.4349 -1.7980 -1.7565 -1.3451 -1.2736 -0.9061 -0.8410 0.3094 0.4428 0.6858 0.8174 1.0809 1.1119 2.0831 2.0930 2.2224 2.2232 2.7107 2.7194 2.8239 2.8305 2.8365 2.8398 3.0617 3.0714 3.4900 3.4910 3.6243 3.6327 3.9590 3.9660 4.0034 4.0363 4.0659 4.0781 4.1561 4.1609 5.5162 5.5285 6.3551 6.5010 7.0472 7.1315 8.0943 8.3415 8.3782 8.7026 9.1226 9.1283 k = 0.5000 0.2887 0.0683 ( 16046 PWs) bands (ev): -38.9976 -38.9976 -38.9624 -38.9624 -13.5403 -13.5395 -13.0024 -13.0012 -12.1499 -12.1490 -11.9547 -11.9504 -11.7957 -11.7934 -11.7889 -11.7880 -8.5634 -8.5591 -7.4343 -7.4308 -1.8021 -1.7707 -1.3239 -1.2526 -0.9456 -0.8807 0.3551 0.4775 0.6877 0.8068 1.0973 1.1227 2.0734 2.0822 2.2218 2.2224 2.7005 2.7073 2.8241 2.8292 2.8430 2.8459 3.0534 3.0616 3.4891 3.4899 3.6314 3.6386 3.9533 3.9591 4.0311 4.0603 4.0748 4.0860 4.1497 4.1552 5.4704 5.4843 6.3778 6.5038 7.0276 7.1035 8.1258 8.3258 8.4184 8.6785 9.1328 9.1377 k = 0.5000 0.2887 0.0513 ( 16044 PWs) bands (ev): -38.9978 -38.9978 -38.9623 -38.9623 -13.5438 -13.5432 -13.0033 -13.0024 -12.1519 -12.1512 -11.9426 -11.9392 -11.7979 -11.7972 -11.7867 -11.7865 -8.5692 -8.5659 -7.4304 -7.4277 -1.8050 -1.7825 -1.3002 -1.2342 -0.9788 -0.9183 0.3969 0.5008 0.6931 0.7936 1.1110 1.1304 2.0652 2.0724 2.2212 2.2217 2.6927 2.6977 2.8229 2.8263 2.8503 2.8523 3.0471 3.0535 3.4886 3.4892 3.6375 3.6433 3.9486 3.9531 4.0553 4.0791 4.0842 4.0939 4.1431 4.1489 5.4337 5.4467 6.4013 6.5018 7.0150 7.0776 8.1564 8.3076 8.4571 8.6525 9.1410 9.1449 k = 0.5000 0.2887 0.0342 ( 16034 PWs) bands (ev): -38.9979 -38.9979 -38.9622 -38.9622 -13.5463 -13.5460 -13.0039 -13.0033 -12.1533 -12.1529 -11.9329 -11.9305 -11.8018 -11.8017 -11.7841 -11.7838 -8.5732 -8.5710 -7.4275 -7.4257 -1.8063 -1.7918 -1.2753 -1.2220 -1.0019 -0.9527 0.4341 0.5103 0.7043 0.7777 1.1219 1.1349 2.0592 2.0643 2.2208 2.2211 2.6874 2.6906 2.8218 2.8239 2.8559 2.8573 3.0428 3.0473 3.4884 3.4888 3.6425 3.6465 3.9452 3.9484 4.0743 4.0914 4.0939 4.1017 4.1370 4.1426 5.4075 5.4174 6.4247 6.4948 7.0099 7.0546 8.1858 8.2871 8.4942 8.6246 9.1471 9.1498 k = 0.5000 0.2887 0.0171 ( 16028 PWs) bands (ev): -38.9979 -38.9979 -38.9621 -38.9621 -13.5478 -13.5476 -13.0043 -13.0039 -12.1541 -12.1539 -11.9264 -11.9252 -11.8048 -11.8048 -11.7823 -11.7821 -8.5754 -8.5743 -7.4255 -7.4246 -1.8059 -1.7988 -1.2512 -1.2206 -1.0104 -0.9819 0.4656 0.5060 0.7207 0.7595 1.1298 1.1363 2.0560 2.0586 2.2205 2.2207 2.6845 2.6861 2.8212 2.8222 2.8595 2.8602 3.0407 3.0430 3.4883 3.4885 3.6460 3.6481 3.9434 3.9450 4.0875 4.0968 4.1027 4.1071 4.1330 4.1368 5.3925 5.3979 6.4467 6.4828 7.0120 7.0353 8.2137 8.2646 8.5295 8.5947 9.1511 9.1525 k = 0.5000 0.2887-0.0000 ( 16028 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.5482 -13.5482 -13.0043 -13.0043 -12.1543 -12.1543 -11.9237 -11.9237 -11.8060 -11.8060 -11.7817 -11.7817 -8.5757 -8.5757 -7.4246 -7.4246 -1.8034 -1.8034 -1.2314 -1.2314 -1.0027 -1.0027 0.4902 0.4902 0.7400 0.7400 1.1346 1.1346 2.0558 2.0558 2.2205 2.2205 2.6841 2.6841 2.8213 2.8213 2.8610 2.8610 3.0408 3.0408 3.4884 3.4884 3.6479 3.6479 3.9433 3.9433 4.0952 4.0952 4.1077 4.1077 4.1329 4.1329 5.3894 5.3894 6.4665 6.4665 7.0208 7.0208 8.2401 8.2401 8.5630 8.5630 9.1529 9.1529 k = 0.3333 0.5774-0.0000 ( 16017 PWs) bands (ev): -38.9980 -38.9980 -38.9621 -38.9621 -13.2756 -13.2738 -13.2677 -13.2677 -12.2923 -12.2923 -11.8869 -11.8736 -11.8736 -11.8670 -11.6864 -11.6864 -8.0083 -8.0043 -7.9901 -7.9901 -1.6872 -1.6872 -1.5039 -1.0692 -1.0692 -0.9964 0.4342 0.7278 0.7278 0.8672 0.9045 0.9045 1.9649 1.9649 2.2344 2.2344 2.8211 2.8435 2.8539 2.8539 3.1705 3.1757 3.1757 3.1772 3.3579 3.3579 3.7967 3.7986 3.7986 3.8180 4.1297 4.1405 4.1405 4.1732 4.1732 4.1768 5.3516 5.3516 5.8107 6.4159 6.4159 6.4918 8.2328 8.7438 8.7438 8.9962 9.1185 9.1185 k = 0.3333 0.5774 0.0171 ( 16041 PWs) bands (ev): -38.9979 -38.9979 -38.9621 -38.9621 -13.2787 -13.2714 -13.2699 -13.2632 -12.2920 -12.2918 -11.8916 -11.8835 -11.8648 -11.8634 -11.6870 -11.6868 -8.0205 -8.0031 -7.9915 -7.9765 -1.6905 -1.6820 -1.5067 -1.1056 -1.0307 -0.9915 0.4318 0.7186 0.7333 0.8668 0.8928 0.9137 1.9611 1.9611 2.2375 2.2382 2.8220 2.8446 2.8532 2.8563 3.1644 3.1663 3.1811 3.1831 3.3584 3.3589 3.7760 3.7813 3.8202 3.8322 4.1153 4.1386 4.1403 4.1453 4.1918 4.2032 5.3456 5.3625 5.8094 6.3771 6.4590 6.4970 8.2316 8.7309 8.7543 8.9955 9.1105 9.1232 k = 0.3333 0.5774 0.0342 ( 16062 PWs) bands (ev): -38.9979 -38.9979 -38.9622 -38.9622 -13.2819 -13.2744 -13.2646 -13.2581 -12.2910 -12.2907 -11.9014 -11.8945 -11.8572 -11.8571 -11.6884 -11.6879 -8.0338 -8.0156 -7.9766 -7.9627 -1.6920 -1.6749 -1.5147 -1.1395 -0.9903 -0.9771 0.4246 0.7056 0.7349 0.8656 0.8783 0.9205 1.9503 1.9503 2.2468 2.2481 2.8245 2.8479 2.8544 2.8607 3.1540 3.1548 3.1851 3.1883 3.3601 3.3612 3.7527 3.7577 3.8408 3.8524 4.0902 4.1133 4.1398 4.1412 4.2187 4.2328 5.3446 5.3783 5.8059 6.3430 6.5058 6.5124 8.2280 8.7157 8.7625 8.9932 9.0992 9.1247 k = 0.3333 0.5774 0.0513 ( 16062 PWs) bands (ev): -38.9978 -38.9978 -38.9623 -38.9623 -13.2842 -13.2766 -13.2585 -13.2523 -12.2893 -12.2888 -11.9133 -11.9064 -11.8510 -11.8508 -11.6906 -11.6899 -8.0464 -8.0272 -7.9614 -7.9486 -1.6918 -1.6659 -1.5269 -1.1708 -0.9544 -0.9482 0.4126 0.6892 0.7323 0.8609 0.8635 0.9252 1.9344 1.9345 2.2604 2.2625 2.8286 2.8535 2.8572 2.8671 3.1414 3.1415 3.1870 3.1911 3.3633 3.3648 3.7287 3.7327 3.8603 3.8719 4.0642 4.0852 4.1390 4.1407 4.2473 4.2614 5.3484 5.3989 5.8011 6.3143 6.5371 6.5559 8.2221 8.6984 8.7680 8.9895 9.0844 9.1231 k = 0.3333 0.5774 0.0683 ( 16056 PWs) bands (ev): -38.9976 -38.9976 -38.9624 -38.9624 -13.2858 -13.2781 -13.2518 -13.2459 -12.2869 -12.2862 -11.9263 -11.9191 -11.8459 -11.8458 -11.6936 -11.6928 -8.0580 -8.0380 -7.9461 -7.9345 -1.6899 -1.6550 -1.5420 -1.1992 -0.9246 -0.9048 0.3960 0.6693 0.7254 0.8403 0.8607 0.9281 1.9154 1.9157 2.2765 2.2792 2.8342 2.8614 2.8615 2.8755 3.1265 3.1271 3.1865 3.1917 3.3678 3.3698 3.7044 3.7071 3.8785 3.8901 4.0390 4.0581 4.1380 4.1400 4.2750 4.2882 5.3572 5.4243 5.7964 6.2915 6.5700 6.6089 8.2137 8.6789 8.7709 8.9842 9.0663 9.1185 k = 0.3333 0.5774 0.0854 ( 16062 PWs) bands (ev): -38.9974 -38.9974 -38.9627 -38.9627 -13.2867 -13.2788 -13.2445 -13.2389 -12.2838 -12.2830 -11.9403 -11.9326 -11.8422 -11.8422 -11.6975 -11.6965 -8.0685 -8.0479 -7.9310 -7.9205 -1.6864 -1.6422 -1.5587 -1.2244 -0.8891 -0.8604 0.3750 0.6463 0.7142 0.8165 0.8571 0.9294 1.8952 1.8956 2.2934 2.2967 2.8412 2.8673 2.8714 2.8859 3.1101 3.1113 3.1836 3.1900 3.3737 3.3761 3.6801 3.6815 3.8955 3.9070 4.0149 4.0323 4.1367 4.1390 4.3008 4.3125 5.3710 5.4544 5.7933 6.2750 6.6099 6.6642 8.2030 8.6574 8.7709 8.9775 9.0448 9.1112 k = 0.3333 0.5774 0.1025 ( 16062 PWs) bands (ev): -38.9971 -38.9971 -38.9629 -38.9629 -13.2867 -13.2787 -13.2366 -13.2313 -12.2800 -12.2790 -11.9550 -11.9467 -11.8400 -11.8398 -11.7022 -11.7010 -8.0778 -8.0566 -7.9161 -7.9068 -1.6814 -1.6274 -1.5758 -1.2462 -0.8492 -0.8153 0.3497 0.6202 0.6983 0.7893 0.8529 0.9293 1.8750 1.8757 2.3099 2.3137 2.8495 2.8743 2.8835 2.8981 3.0926 3.0943 3.1784 3.1859 3.3811 3.3838 3.6561 3.6563 3.9112 3.9225 3.9920 4.0077 4.1351 4.1376 4.3236 4.3337 5.3897 5.4891 5.7934 6.2653 6.6555 6.7215 8.1900 8.6339 8.7678 8.9692 9.0200 9.1013 k = 0.3333 0.5774 0.1196 ( 16068 PWs) bands (ev): -38.9968 -38.9968 -38.9632 -38.9632 -13.2859 -13.2779 -13.2282 -13.2233 -12.2756 -12.2744 -11.9702 -11.9612 -11.8392 -11.8389 -11.7077 -11.7063 -8.0859 -8.0641 -7.9016 -7.8935 -1.6750 -1.6106 -1.5925 -1.2644 -0.8059 -0.7699 0.3203 0.5913 0.6779 0.7589 0.8479 0.9281 1.8560 1.8568 2.3251 2.3292 2.8589 2.8826 2.8971 2.9118 3.0744 3.0767 3.1709 3.1797 3.3898 3.3928 3.6320 3.6329 3.9255 3.9365 3.9703 3.9844 4.1332 4.1359 4.3425 4.3510 5.4135 5.5283 5.7978 6.2627 6.7060 6.7805 8.1745 8.6084 8.7613 8.9594 8.9919 9.0892 k = 0.3333 0.5774 0.1367 ( 16065 PWs) bands (ev): -38.9965 -38.9965 -38.9635 -38.9635 -13.2844 -13.2763 -13.2194 -13.2148 -12.2704 -12.2690 -11.9858 -11.9762 -11.8399 -11.8395 -11.7139 -11.7123 -8.0926 -8.0704 -7.8877 -7.8807 -1.6673 -1.6079 -1.5919 -1.2788 -0.7601 -0.7245 0.2874 0.5600 0.6528 0.7253 0.8423 0.9259 1.8388 1.8396 2.3384 2.3427 2.8695 2.8919 2.9116 2.9262 3.0565 3.0594 3.1612 3.1714 3.4000 3.4031 3.6088 3.6107 3.9383 3.9489 3.9496 3.9621 4.1309 4.1338 4.3569 4.3640 5.4421 5.5719 5.8076 6.2675 6.7603 6.8408 8.1567 8.5810 8.7512 8.9481 8.9607 9.0751 k = 0.3333 0.5774 0.1538 ( 16041 PWs) bands (ev): -38.9961 -38.9961 -38.9639 -38.9639 -13.2820 -13.2739 -13.2102 -13.2059 -12.2646 -12.2630 -12.0017 -11.9914 -11.8420 -11.8416 -11.7209 -11.7192 -8.0979 -8.0754 -7.8746 -7.8686 -1.6584 -1.6215 -1.5713 -1.2892 -0.7127 -0.6798 0.2512 0.5264 0.6233 0.6887 0.8361 0.9228 1.8240 1.8247 2.3493 2.3537 2.8810 2.9020 2.9251 2.9395 3.0410 3.0442 3.1493 3.1611 3.4115 3.4147 3.5872 3.5900 3.9297 3.9409 3.9495 3.9596 4.1282 4.1312 4.3664 4.3724 5.4757 5.6197 5.8237 6.2797 6.8178 6.9020 8.1365 8.5517 8.7373 8.9263 8.9353 9.0594 k = 0.3333 0.5774 0.1709 ( 16053 PWs) bands (ev): -38.9957 -38.9957 -38.9643 -38.9643 -13.2790 -13.2708 -13.2006 -13.1968 -12.2581 -12.2564 -12.0176 -12.0066 -11.8456 -11.8452 -11.7287 -11.7268 -8.1017 -8.0790 -7.8623 -7.8573 -1.6483 -1.6329 -1.5489 -1.2954 -0.6644 -0.6362 0.2124 0.4911 0.5893 0.6494 0.8293 0.9190 1.8119 1.8123 2.3578 2.3619 2.8933 2.9129 2.9339 2.9469 3.0325 3.0351 3.1356 3.1491 3.4244 3.4275 3.5675 3.5710 3.9104 3.9204 3.9590 3.9686 4.1249 4.1280 4.3707 4.3759 5.5142 5.6714 5.8462 6.2991 6.8778 6.9638 8.1140 8.5208 8.7192 8.8889 8.9209 9.0425 k = 0.3333 0.5774 0.1879 ( 16044 PWs) bands (ev): -38.9952 -38.9952 -38.9648 -38.9648 -13.2751 -13.2670 -13.1909 -13.1875 -12.2510 -12.2491 -12.0336 -12.0219 -11.8506 -11.8503 -11.7371 -11.7351 -8.1040 -8.0813 -7.8510 -7.8470 -1.6417 -1.6371 -1.5246 -1.2973 -0.6161 -0.5945 0.1715 0.4544 0.5513 0.6079 0.8220 0.9145 1.8026 1.8027 2.3635 2.3672 2.9064 2.9241 2.9328 2.9427 3.0372 3.0373 3.1203 3.1357 3.4386 3.4416 3.5497 3.5538 3.8917 3.9007 3.9667 3.9757 4.1211 4.1242 4.3697 4.3746 5.5574 5.7270 5.8754 6.3256 6.9399 7.0260 8.0891 8.4882 8.6966 8.8487 8.9049 9.0245 k = 0.3333 0.5774 0.2050 ( 16047 PWs) bands (ev): -38.9947 -38.9947 -38.9653 -38.9653 -13.2706 -13.2625 -13.1810 -13.1780 -12.2433 -12.2412 -12.0494 -12.0369 -11.8570 -11.8569 -11.7463 -11.7441 -8.1048 -8.0821 -7.8408 -7.8377 -1.6477 -1.6248 -1.4984 -1.2949 -0.5688 -0.5554 0.1296 0.4167 0.5095 0.5650 0.8140 0.9094 1.7956 1.7965 2.3664 2.3695 2.9182 2.9228 2.9279 2.9353 3.0512 3.0539 3.1040 3.1214 3.4541 3.4568 3.5339 3.5386 3.8735 3.8816 3.9724 3.9808 4.1166 4.1197 4.3638 4.3687 5.6050 5.7861 5.9111 6.3588 7.0037 7.0880 8.0618 8.4542 8.6696 8.8056 8.8874 9.0058 k = 0.3333 0.5774 0.2221 ( 16062 PWs) bands (ev): -38.9942 -38.9942 -38.9659 -38.9659 -13.2653 -13.2574 -13.1711 -13.1685 -12.2350 -12.2327 -12.0648 -12.0516 -11.8649 -11.8648 -11.7560 -11.7537 -8.1040 -8.0815 -7.8318 -7.8295 -1.6506 -1.6114 -1.4705 -1.2882 -0.5239 -0.5199 0.0880 0.3783 0.4642 0.5217 0.8055 0.9038 1.7915 1.7932 2.3666 2.3688 2.9025 2.9077 2.9339 2.9459 3.0702 3.0777 3.0898 3.1069 3.4707 3.4731 3.5202 3.5254 3.8557 3.8630 3.9762 3.9840 4.1114 4.1145 4.3532 4.3584 5.6570 5.8485 5.9529 6.3982 7.0686 7.1496 8.0323 8.4189 8.6379 8.7600 8.8682 8.9864 k = 0.3333 0.5774 0.2392 ( 16071 PWs) bands (ev): -38.9936 -38.9936 -38.9664 -38.9664 -13.2594 -13.2516 -13.1613 -13.1591 -12.2261 -12.2236 -12.0797 -12.0658 -11.8742 -11.8738 -11.7665 -11.7640 -8.1018 -8.0795 -7.8242 -7.8225 -1.6502 -1.5967 -1.4410 -1.2772 -0.4892 -0.4834 0.0487 0.3389 0.4159 0.4797 0.7964 0.8976 1.7900 1.7927 2.3641 2.3653 2.8813 2.8853 2.9468 2.9547 3.0652 3.0934 3.1047 3.1055 3.4884 3.4905 3.5086 3.5144 3.8383 3.8450 3.9779 3.9851 4.1053 4.1085 4.3385 4.3441 5.7129 5.9140 6.0002 6.4433 7.1346 7.2102 8.0004 8.3826 8.6016 8.7119 8.8474 8.9664 k = 0.3333 0.5774 0.2563 ( 16065 PWs) bands (ev): -38.9930 -38.9930 -38.9670 -38.9670 -13.2528 -13.2451 -13.1517 -13.1499 -12.2166 -12.2139 -12.0939 -12.0794 -11.8847 -11.8840 -11.7775 -11.7749 -8.0980 -8.0762 -7.8179 -7.8168 -1.6466 -1.5807 -1.4098 -1.2622 -0.4644 -0.4502 0.0148 0.2979 0.3650 0.4413 0.7867 0.8908 1.7911 1.7950 2.3590 2.3590 2.8587 2.8620 2.9570 2.9599 3.0507 3.0830 3.1342 3.1360 3.4989 3.5052 3.5072 3.5088 3.8214 3.8275 3.9776 3.9841 4.0985 4.1017 4.3202 4.3264 5.7725 5.9822 6.0523 6.4934 7.2012 7.2693 7.9663 8.3457 8.5609 8.6614 8.8249 8.9458 k = 0.3333 0.5774 0.2734 ( 16056 PWs) bands (ev): -38.9924 -38.9924 -38.9677 -38.9677 -13.2457 -13.2382 -13.1424 -13.1410 -12.2066 -12.2036 -12.1073 -12.0921 -11.8965 -11.8953 -11.7890 -11.7864 -8.0929 -8.0715 -7.8131 -7.8125 -1.6394 -1.5632 -1.3771 -1.2433 -0.4468 -0.4287 -0.0094 0.2543 0.3118 0.4092 0.7763 0.8835 1.7947 1.7998 2.3502 2.3515 2.8359 2.8387 2.9592 2.9608 3.0416 3.0781 3.1668 3.1686 3.4910 3.4980 3.5268 3.5280 3.8050 3.8107 3.9751 3.9810 4.0907 4.0939 4.2987 4.3055 5.8354 6.0529 6.1088 6.5480 7.2681 7.3263 7.9299 8.3087 8.5159 8.6089 8.8007 8.9245 k = 0.3333 0.5774 0.2905 ( 16050 PWs) bands (ev): -38.9917 -38.9917 -38.9684 -38.9684 -13.2380 -13.2307 -13.1336 -13.1325 -12.1962 -12.1929 -12.1197 -12.1038 -11.9093 -11.9077 -11.8011 -11.7983 -8.0863 -8.0655 -7.8098 -7.8095 -1.6288 -1.5440 -1.3430 -1.2207 -0.4375 -0.4233 -0.0194 0.2071 0.2568 0.3861 0.7652 0.8757 1.8005 1.8069 2.3390 2.3416 2.8134 2.8159 2.9513 2.9539 3.0428 3.0801 3.2012 3.2026 3.4847 3.4925 3.5472 3.5479 3.7893 3.7946 3.9705 3.9757 4.0820 4.0852 4.2746 4.2820 5.9013 6.1256 6.1688 6.6065 7.3353 7.3803 7.8913 8.2722 8.4668 8.5546 8.7747 8.9023 k = 0.3333 0.5774 0.3075 ( 16050 PWs) bands (ev): -38.9910 -38.9910 -38.9691 -38.9691 -13.2299 -13.2227 -13.1254 -13.1245 -12.1854 -12.1816 -12.1309 -12.1143 -11.9231 -11.9209 -11.8137 -11.8108 -8.0785 -8.0584 -7.8080 -7.8080 -1.6146 -1.5229 -1.3077 -1.1947 -0.4371 -0.4362 -0.0130 0.1561 0.2002 0.3731 0.7533 0.8671 1.8086 1.8162 2.3257 2.3297 2.7916 2.7939 2.9371 2.9378 3.0530 3.0882 3.2368 3.2376 3.4800 3.4887 3.5683 3.5686 3.7744 3.7793 3.9639 3.9685 4.0723 4.0756 4.2483 4.2562 5.9697 6.1999 6.2319 6.6684 7.4023 7.4302 7.8506 8.2371 8.4141 8.4987 8.7470 8.8791 k = 0.3333 0.5774 0.3246 ( 16068 PWs) bands (ev): -38.9903 -38.9903 -38.9698 -38.9698 -13.2212 -13.2144 -13.1178 -13.1173 -12.1743 -12.1699 -12.1408 -12.1232 -11.9378 -11.9350 -11.8267 -11.8237 -8.0694 -8.0501 -7.8078 -7.8078 -1.5970 -1.4998 -1.2714 -1.1654 -0.4654 -0.4455 0.0080 0.1018 0.1425 0.3701 0.7405 0.8579 1.8186 1.8276 2.3104 2.3158 2.7710 2.7731 2.9170 2.9186 3.0682 3.1007 3.2730 3.2731 3.4767 3.4865 3.5898 3.5900 3.7607 3.7653 3.9553 3.9593 4.0616 4.0649 4.2202 4.2284 6.0402 6.2756 6.2974 6.7331 7.4689 7.4747 7.8080 8.2045 8.3579 8.4418 8.7174 8.8547 k = 0.3333 0.5774 0.3417 ( 16050 PWs) bands (ev): -38.9895 -38.9895 -38.9705 -38.9705 -13.2123 -13.2057 -13.1111 -13.1108 -12.1635 -12.1577 -12.1492 -12.1301 -11.9531 -11.9497 -11.8401 -11.8371 -8.0593 -8.0407 -7.8091 -7.8091 -1.5757 -1.4747 -1.2343 -1.1333 -0.5066 -0.4620 0.0394 0.0452 0.0841 0.3762 0.7267 0.8479 1.8305 1.8407 2.2933 2.3002 2.7517 2.7537 2.8940 2.8975 3.0860 3.1160 3.3083 3.3089 3.4750 3.4862 3.6116 3.6122 3.7484 3.7526 3.9449 3.9483 4.0498 4.0533 4.1905 4.1989 6.1124 6.3519 6.3648 6.8002 7.5119 7.5345 7.7638 8.1756 8.2986 8.3847 8.6860 8.8291 k = 0.3333 0.5774 0.3588 ( 16029 PWs) bands (ev): -38.9887 -38.9887 -38.9713 -38.9713 -13.2030 -13.1967 -13.1054 -13.1053 -12.1560 -12.1546 -12.1451 -12.1332 -11.9690 -11.9649 -11.8539 -11.8508 -8.0481 -8.0304 -7.8119 -7.8118 -1.5510 -1.4475 -1.1968 -1.0984 -0.5557 -0.4852 -0.0131 0.0251 0.0772 0.3898 0.7119 0.8370 1.8441 1.8555 2.2747 2.2829 2.7341 2.7361 2.8701 2.8752 3.1051 3.1331 3.3416 3.3431 3.4758 3.4885 3.6337 3.6348 3.7378 3.7417 3.9329 3.9356 4.0371 4.0406 4.1595 4.1680 6.1860 6.4284 6.4336 6.8693 7.5400 7.5971 7.7200 8.1510 8.2365 8.3290 8.6526 8.8020 k = 0.3333 0.5774 0.3759 ( 16020 PWs) bands (ev): -38.9879 -38.9879 -38.9721 -38.9721 -13.1935 -13.1875 -13.1008 -13.1007 -12.1611 -12.1512 -12.1321 -12.1286 -11.9854 -11.9804 -11.8680 -11.8649 -8.0360 -8.0193 -7.8161 -7.8158 -1.5229 -1.4181 -1.1596 -1.0609 -0.6098 -0.5133 -0.0723 -0.0340 0.1184 0.4093 0.6958 0.8251 1.8593 1.8718 2.2548 2.2644 2.7184 2.7205 2.8462 2.8523 3.1252 3.1514 3.3706 3.3725 3.4814 3.4953 3.6562 3.6578 3.7294 3.7330 3.9193 3.9215 4.0233 4.0269 4.1274 4.1359 6.2604 6.5035 6.5043 6.9399 7.5573 7.6364 7.6968 8.1291 8.1720 8.2785 8.6174 8.7733 k = 0.3333 0.5774 0.3930 ( 16029 PWs) bands (ev): -38.9871 -38.9871 -38.9730 -38.9730 -13.1838 -13.1783 -13.0973 -13.0973 -12.1644 -12.1517 -12.1188 -12.1181 -12.0020 -11.9962 -11.8824 -11.8792 -8.0231 -8.0074 -7.8218 -7.8211 -1.4915 -1.3866 -1.1234 -1.0212 -0.6670 -0.5442 -0.1319 -0.0930 0.1614 0.4331 0.6785 0.8122 1.8760 1.8894 2.2338 2.2446 2.7049 2.7070 2.8226 2.8294 3.1458 3.1705 3.3914 3.3923 3.4961 3.5098 3.6789 3.6809 3.7236 3.7269 3.9045 3.9062 4.0086 4.0123 4.0941 4.1026 6.3351 6.5741 6.5787 7.0118 7.5631 7.6040 7.7425 8.1028 8.1054 8.2419 8.5802 8.7431 k = 0.3333 0.5774 0.4101 ( 16032 PWs) bands (ev): -38.9863 -38.9863 -38.9738 -38.9738 -13.1741 -13.1689 -13.0950 -13.0950 -12.1658 -12.1522 -12.1054 -12.1052 -12.0187 -12.0119 -11.8971 -11.8938 -8.0096 -7.9950 -7.8289 -7.8277 -1.4568 -1.3532 -1.0895 -0.9794 -0.7260 -0.5756 -0.1915 -0.1514 0.2048 0.4598 0.6596 0.7981 1.8939 1.9082 2.2118 2.2238 2.6935 2.6959 2.7999 2.8071 3.1669 3.1901 3.3999 3.4018 3.5219 3.5337 3.7016 3.7041 3.7205 3.7237 3.8887 3.8899 3.9929 3.9966 4.0599 4.0682 6.4095 6.6451 6.6501 7.0846 7.5534 7.5584 7.8033 8.0373 8.0626 8.2287 8.5410 8.7113 k = 0.3333 0.5774 0.4271 ( 16053 PWs) bands (ev): -38.9854 -38.9854 -38.9747 -38.9747 -13.1645 -13.1597 -13.0940 -13.0939 -12.1652 -12.1514 -12.0920 -12.0915 -12.0354 -12.0274 -11.9119 -11.9086 -7.9956 -7.9820 -7.8372 -7.8354 -1.4190 -1.3180 -1.0599 -0.9356 -0.7859 -0.6048 -0.2505 -0.2090 0.2480 0.4884 0.6392 0.7827 1.9130 1.9280 2.1891 2.2021 2.6846 2.6873 2.7782 2.7856 3.1882 3.2101 3.3981 3.4030 3.5555 3.5653 3.7203 3.7205 3.7274 3.7274 3.8720 3.8728 3.9762 3.9801 4.0248 4.0329 6.4831 6.7161 6.7168 7.1580 7.4989 7.5462 7.8651 7.9681 8.0087 8.2374 8.4999 8.6779 k = 0.3333 0.5774 0.4442 ( 16041 PWs) bands (ev): -38.9845 -38.9845 -38.9756 -38.9756 -13.1550 -13.1506 -13.0943 -13.0940 -12.1628 -12.1490 -12.0782 -12.0780 -12.0518 -12.0420 -11.9269 -11.9236 -7.9811 -7.9687 -7.8467 -7.8443 -1.3782 -1.2813 -1.0371 -0.8903 -0.8460 -0.6284 -0.3084 -0.2653 0.2902 0.5179 0.6171 0.7659 1.9331 1.9487 2.1659 2.1798 2.6783 2.6812 2.7580 2.7653 3.2096 3.2303 3.3906 3.3980 3.5931 3.6013 3.7231 3.7250 3.7485 3.7506 3.8549 3.8554 3.9587 3.9626 3.9887 3.9967 6.5550 6.7762 6.7869 7.2317 7.4420 7.5309 7.8985 7.9263 7.9470 8.2602 8.4568 8.6428 k = 0.3333 0.5774 0.4613 ( 16017 PWs) bands (ev): -38.9836 -38.9836 -38.9764 -38.9764 -13.1457 -13.1418 -13.0959 -13.0953 -12.1584 -12.1449 -12.0690 -12.0677 -12.0637 -12.0518 -11.9420 -11.9387 -7.9665 -7.9551 -7.8573 -7.8541 -1.3345 -1.2433 -1.0246 -0.9058 -0.8437 -0.6433 -0.3641 -0.3196 0.3312 0.5475 0.5933 0.7476 1.9542 1.9702 2.1422 2.1569 2.6745 2.6779 2.7395 2.7466 3.2310 3.2505 3.3793 3.3887 3.6325 3.6396 3.7288 3.7309 3.7711 3.7737 3.8376 3.8377 3.9402 3.9443 3.9519 3.9598 6.6243 6.8247 6.8572 7.3057 7.3831 7.5179 7.8293 7.8812 7.9865 8.2913 8.4118 8.6062 k = 0.3333 0.5774 0.4784 ( 16026 PWs) bands (ev): -38.9827 -38.9827 -38.9773 -38.9773 -13.1369 -13.1335 -13.0987 -13.0978 -12.1522 -12.1392 -12.0831 -12.0762 -12.0492 -12.0444 -11.9570 -11.9537 -7.9517 -7.9415 -7.8689 -7.8648 -1.2882 -1.2047 -1.0249 -0.9649 -0.7964 -0.6480 -0.4160 -0.3711 0.3707 0.5675 0.5768 0.7278 1.9760 1.9923 2.1184 2.1337 2.6735 2.6773 2.7229 2.7297 3.2522 3.2705 3.3654 3.3764 3.6725 3.6787 3.7373 3.7396 3.7937 3.7963 3.8201 3.8204 3.9143 3.9194 3.9237 3.9251 6.6897 6.8581 6.9269 7.3223 7.3796 7.5133 7.7616 7.8130 8.0453 8.3275 8.3648 8.5683 k = 0.3333 0.5774 0.4955 ( 16044 PWs) bands (ev): -38.9819 -38.9819 -38.9782 -38.9782 -13.1285 -13.1256 -13.1027 -13.1015 -12.1442 -12.1318 -12.0976 -12.0888 -12.0346 -12.0309 -11.9720 -11.9687 -7.9370 -7.9279 -7.8813 -7.8763 -1.2393 -1.1660 -1.0380 -1.0230 -0.7494 -0.6457 -0.4599 -0.4183 0.4084 0.5397 0.6053 0.7064 1.9984 2.0148 2.0946 2.1103 2.6752 2.6795 2.7084 2.7148 3.2731 3.2903 3.3495 3.3619 3.7121 3.7169 3.7488 3.7520 3.8025 3.8029 3.8160 3.8196 3.8760 3.8833 3.9018 3.9053 6.7494 6.8725 6.9958 7.2599 7.4533 7.5219 7.6970 7.7431 8.1027 8.3160 8.3665 8.5290 k = 0.3333 0.5774 0.5126 ( 16050 PWs) bands (ev): -38.9809 -38.9809 -38.9791 -38.9791 -13.1208 -13.1183 -13.1078 -13.1062 -12.1347 -12.1229 -12.1112 -12.1012 -12.0203 -12.0171 -11.9863 -11.9833 -7.9224 -7.9144 -7.8944 -7.8885 -1.1882 -1.1282 -1.0798 -1.0617 -0.7049 -0.6478 -0.4863 -0.4582 0.4443 0.5099 0.6327 0.6834 2.0211 2.0367 2.0719 2.0871 2.6796 2.6844 2.6963 2.7022 3.2935 3.3096 3.3319 3.3457 3.7475 3.7489 3.7663 3.7726 3.7860 3.7861 3.8372 3.8379 3.8401 3.8459 3.8813 3.8849 6.8010 6.8663 7.0637 7.1959 7.5264 7.5463 7.6379 7.6722 8.1586 8.2653 8.4070 8.4888 k = 0.3333 0.5774 0.5297 ( 16038 PWs) bands (ev): -38.9800 -38.9800 -38.9800 -38.9800 -13.1139 -13.1139 -13.1118 -13.1118 -12.1236 -12.1236 -12.1126 -12.1126 -12.0096 -12.0096 -11.9940 -11.9940 -7.9082 -7.9082 -7.9012 -7.9012 -1.1349 -1.1349 -1.0927 -1.0927 -0.6680 -0.6680 -0.4845 -0.4845 0.4781 0.4781 0.6588 0.6588 2.0422 2.0422 2.0660 2.0660 2.6866 2.6866 2.6920 2.6920 3.3132 3.3132 3.3281 3.3281 3.7692 3.7692 3.7692 3.7692 3.7989 3.7989 3.8064 3.8064 3.8576 3.8576 3.8657 3.8657 6.8413 6.8413 7.1304 7.1304 7.5831 7.5831 7.6028 7.6028 8.2128 8.2128 8.4480 8.4480 Writing output data file LiIO3.save init_run : 3.79s CPU 13.38s WALL ( 1 calls) electrons : 1237.11s CPU 1249.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.41s CPU 1.77s WALL ( 1 calls) Called by electrons: c_bands : 1237.05s CPU 1249.45s WALL ( 1 calls) v_of_rho : 0.14s CPU 1.02s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.10s CPU 0.61s WALL ( 1 calls) newd : 0.13s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.15s CPU 0.31s WALL ( 288 calls) cegterg : 1062.02s CPU 1070.36s WALL ( 298 calls) Called by sum_band: Called by *egterg: h_psi : 617.45s CPU 622.53s WALL ( 5347 calls) s_psi : 38.42s CPU 38.59s WALL ( 5347 calls) g_psi : 2.46s CPU 2.45s WALL ( 4761 calls) cdiaghg : 213.47s CPU 212.58s WALL ( 5049 calls) cegterg:over : 118.25s CPU 117.62s WALL ( 4761 calls) cegterg:upda : 53.23s CPU 54.53s WALL ( 4761 calls) cegterg:last : 52.04s CPU 52.63s WALL ( 1380 calls) Called by h_psi: h_psi:vloc : 517.87s CPU 521.52s WALL ( 5347 calls) h_psi:vnl : 97.42s CPU 98.38s WALL ( 5347 calls) add_vuspsi : 35.69s CPU 37.58s WALL ( 5347 calls) General routines calbec : 61.69s CPU 60.69s WALL ( 5347 calls) fft : 0.26s CPU 1.32s WALL ( 15 calls) fftw : 483.36s CPU 485.79s WALL ( 1142196 calls) davcio : 0.05s CPU 9.36s WALL ( 576 calls) Parallel routines fft_scatter : 223.03s CPU 222.42s WALL ( 1142211 calls) PWSCF : 23m10.83s CPU 30m10.48s WALL This run was terminated on: 6:56:46 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=