Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:30:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NixAsO3x2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 28 8 1604 703 112 Max 51 29 9 1608 717 117 Sum 1801 1039 313 57865 25579 4135 bravais-lattice index = 14 lattice parameter (alat) = 8.9923 a.u. unit-cell volume = 586.8824 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.992261 celldm(2)= 1.000000 celldm(3)= 0.931995 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 0.931995 ) 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 1.072967 ) PseudoPot. # 1 for O read from file: /users/gautes/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 As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) As 5.00 74.92160 As( 1.00) Ni 10.00 58.69340 Ni( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0030211 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0030211 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0030211 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0030211 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0030211 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0030211 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0030211 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0030211 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0030211 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0030211 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0030211 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0030211 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0030211 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0030211 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0030211 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0030211 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0030211 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0030211 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0030211 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0030211 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0030211 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0030211 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0030211 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0030211 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0030211 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0030211 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0030211 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0030211 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0030211 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0030211 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0030211 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0030211 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0030211 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0030211 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0030211 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0030211 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0030211 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0030211 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0030211 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0030211 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0030211 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0030211 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0030211 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0030211 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0030211 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0030211 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0030211 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0030211 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0030211 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0030211 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0030211 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0030211 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0030211 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0030211 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0030211 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0030211 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0030211 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0030211 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0030211 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0030211 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0030211 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0030211 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0030211 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0030211 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0030211 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0030211 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0030211 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0030211 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0030211 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0030211 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0030211 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0030211 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0030211 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0030211 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0030211 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0030211 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0030211 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0030211 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0030211 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0030211 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0030211 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0030211 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0030211 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0030211 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0030211 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0030211 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0030211 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0030211 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0030211 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0030211 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0030211 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0030211 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0030211 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0030211 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0030211 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0030211 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0030211 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0030211 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0030211 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0030211 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0030211 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0030211 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0030211 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0030211 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 112) = ( 0.0000000 0.0000000 0.0149023), wk = 0.0030211 k( 113) = ( 0.0000000 0.0000000 0.0298046), wk = 0.0030211 k( 114) = ( 0.0000000 0.0000000 0.0447069), wk = 0.0030211 k( 115) = ( 0.0000000 0.0000000 0.0596093), wk = 0.0030211 k( 116) = ( 0.0000000 0.0000000 0.0745116), wk = 0.0030211 k( 117) = ( 0.0000000 0.0000000 0.0894139), wk = 0.0030211 k( 118) = ( 0.0000000 0.0000000 0.1043162), wk = 0.0030211 k( 119) = ( 0.0000000 0.0000000 0.1192185), wk = 0.0030211 k( 120) = ( 0.0000000 0.0000000 0.1341208), wk = 0.0030211 k( 121) = ( 0.0000000 0.0000000 0.1490232), wk = 0.0030211 k( 122) = ( 0.0000000 0.0000000 0.1639255), wk = 0.0030211 k( 123) = ( 0.0000000 0.0000000 0.1788278), wk = 0.0030211 k( 124) = ( 0.0000000 0.0000000 0.1937301), wk = 0.0030211 k( 125) = ( 0.0000000 0.0000000 0.2086324), wk = 0.0030211 k( 126) = ( 0.0000000 0.0000000 0.2235347), wk = 0.0030211 k( 127) = ( 0.0000000 0.0000000 0.2384370), wk = 0.0030211 k( 128) = ( 0.0000000 0.0000000 0.2533394), wk = 0.0030211 k( 129) = ( 0.0000000 0.0000000 0.2682417), wk = 0.0030211 k( 130) = ( 0.0000000 0.0000000 0.2831440), wk = 0.0030211 k( 131) = ( 0.0000000 0.0000000 0.2980463), wk = 0.0030211 k( 132) = ( 0.0000000 0.0000000 0.3129486), wk = 0.0030211 k( 133) = ( 0.0000000 0.0000000 0.3278509), wk = 0.0030211 k( 134) = ( 0.0000000 0.0000000 0.3427532), wk = 0.0030211 k( 135) = ( 0.0000000 0.0000000 0.3576556), wk = 0.0030211 k( 136) = ( 0.0000000 0.0000000 0.3725579), wk = 0.0030211 k( 137) = ( 0.0000000 0.0000000 0.3874602), wk = 0.0030211 k( 138) = ( 0.0000000 0.0000000 0.4023625), wk = 0.0030211 k( 139) = ( 0.0000000 0.0000000 0.4172648), wk = 0.0030211 k( 140) = ( 0.0000000 0.0000000 0.4321671), wk = 0.0030211 k( 141) = ( 0.0000000 0.0000000 0.4470695), wk = 0.0030211 k( 142) = ( 0.0000000 0.0000000 0.4619718), wk = 0.0030211 k( 143) = ( 0.0000000 0.0000000 0.4768741), wk = 0.0030211 k( 144) = ( 0.0000000 0.0000000 0.4917764), wk = 0.0030211 k( 145) = ( 0.0000000 0.0000000 0.5066787), wk = 0.0030211 k( 146) = ( 0.0000000 0.0000000 0.5215810), wk = 0.0030211 k( 147) = ( 0.0000000 0.0000000 0.5364833), wk = 0.0030211 k( 148) = ( 0.0000000 0.0000000 0.5364833), wk = 0.0030211 k( 149) = ( 0.0128205 0.0074019 0.5364833), wk = 0.0030211 k( 150) = ( 0.0256410 0.0148039 0.5364833), wk = 0.0030211 k( 151) = ( 0.0384615 0.0222058 0.5364833), wk = 0.0030211 k( 152) = ( 0.0512821 0.0296077 0.5364833), wk = 0.0030211 k( 153) = ( 0.0641026 0.0370096 0.5364833), wk = 0.0030211 k( 154) = ( 0.0769231 0.0444116 0.5364833), wk = 0.0030211 k( 155) = ( 0.0897436 0.0518135 0.5364833), wk = 0.0030211 k( 156) = ( 0.1025641 0.0592154 0.5364833), wk = 0.0030211 k( 157) = ( 0.1153846 0.0666173 0.5364833), wk = 0.0030211 k( 158) = ( 0.1282051 0.0740193 0.5364833), wk = 0.0030211 k( 159) = ( 0.1410256 0.0814212 0.5364833), wk = 0.0030211 k( 160) = ( 0.1538461 0.0888231 0.5364833), wk = 0.0030211 k( 161) = ( 0.1666667 0.0962250 0.5364833), wk = 0.0030211 k( 162) = ( 0.1794872 0.1036270 0.5364833), wk = 0.0030211 k( 163) = ( 0.1923077 0.1110289 0.5364833), wk = 0.0030211 k( 164) = ( 0.2051282 0.1184308 0.5364833), wk = 0.0030211 k( 165) = ( 0.2179487 0.1258328 0.5364833), wk = 0.0030211 k( 166) = ( 0.2307692 0.1332347 0.5364833), wk = 0.0030211 k( 167) = ( 0.2435897 0.1406366 0.5364833), wk = 0.0030211 k( 168) = ( 0.2564103 0.1480385 0.5364833), wk = 0.0030211 k( 169) = ( 0.2692308 0.1554405 0.5364833), wk = 0.0030211 k( 170) = ( 0.2820513 0.1628424 0.5364833), wk = 0.0030211 k( 171) = ( 0.2948718 0.1702443 0.5364833), wk = 0.0030211 k( 172) = ( 0.3076923 0.1776462 0.5364833), wk = 0.0030211 k( 173) = ( 0.3205128 0.1850482 0.5364833), wk = 0.0030211 k( 174) = ( 0.3333333 0.1924501 0.5364833), wk = 0.0030211 k( 175) = ( 0.3461538 0.1998520 0.5364833), wk = 0.0030211 k( 176) = ( 0.3589744 0.2072539 0.5364833), wk = 0.0030211 k( 177) = ( 0.3717949 0.2146559 0.5364833), wk = 0.0030211 k( 178) = ( 0.3846154 0.2220578 0.5364833), wk = 0.0030211 k( 179) = ( 0.3974359 0.2294597 0.5364833), wk = 0.0030211 k( 180) = ( 0.4102564 0.2368616 0.5364833), wk = 0.0030211 k( 181) = ( 0.4230769 0.2442636 0.5364833), wk = 0.0030211 k( 182) = ( 0.4358974 0.2516655 0.5364833), wk = 0.0030211 k( 183) = ( 0.4487179 0.2590674 0.5364833), wk = 0.0030211 k( 184) = ( 0.4615385 0.2664694 0.5364833), wk = 0.0030211 k( 185) = ( 0.4743590 0.2738713 0.5364833), wk = 0.0030211 k( 186) = ( 0.4871795 0.2812732 0.5364833), wk = 0.0030211 k( 187) = ( 0.5000000 0.2886751 0.5364833), wk = 0.0030211 k( 188) = ( 0.5000000 0.2886751 0.5364833), wk = 0.0030211 k( 189) = ( 0.4927536 0.3012262 0.5364833), wk = 0.0030211 k( 190) = ( 0.4855073 0.3137773 0.5364833), wk = 0.0030211 k( 191) = ( 0.4782609 0.3263284 0.5364833), wk = 0.0030211 k( 192) = ( 0.4710145 0.3388795 0.5364833), wk = 0.0030211 k( 193) = ( 0.4637681 0.3514306 0.5364833), wk = 0.0030211 k( 194) = ( 0.4565217 0.3639817 0.5364833), wk = 0.0030211 k( 195) = ( 0.4492754 0.3765328 0.5364833), wk = 0.0030211 k( 196) = ( 0.4420290 0.3890839 0.5364833), wk = 0.0030211 k( 197) = ( 0.4347826 0.4016350 0.5364833), wk = 0.0030211 k( 198) = ( 0.4275362 0.4141861 0.5364833), wk = 0.0030211 k( 199) = ( 0.4202899 0.4267372 0.5364833), wk = 0.0030211 k( 200) = ( 0.4130435 0.4392882 0.5364833), wk = 0.0030211 k( 201) = ( 0.4057971 0.4518393 0.5364833), wk = 0.0030211 k( 202) = ( 0.3985507 0.4643904 0.5364833), wk = 0.0030211 k( 203) = ( 0.3913044 0.4769415 0.5364833), wk = 0.0030211 k( 204) = ( 0.3840580 0.4894926 0.5364833), wk = 0.0030211 k( 205) = ( 0.3768116 0.5020437 0.5364833), wk = 0.0030211 k( 206) = ( 0.3695652 0.5145948 0.5364833), wk = 0.0030211 k( 207) = ( 0.3623188 0.5271459 0.5364833), wk = 0.0030211 k( 208) = ( 0.3550725 0.5396970 0.5364833), wk = 0.0030211 k( 209) = ( 0.3478261 0.5522481 0.5364833), wk = 0.0030211 k( 210) = ( 0.3405797 0.5647992 0.5364833), wk = 0.0030211 k( 211) = ( 0.3333333 0.5773503 0.5364833), wk = 0.0030211 k( 212) = ( 0.3333333 0.5773503 0.5364833), wk = 0.0030211 k( 213) = ( 0.3259259 0.5645203 0.5364833), wk = 0.0030211 k( 214) = ( 0.3185185 0.5516903 0.5364833), wk = 0.0030211 k( 215) = ( 0.3111111 0.5388602 0.5364833), wk = 0.0030211 k( 216) = ( 0.3037037 0.5260302 0.5364833), wk = 0.0030211 k( 217) = ( 0.2962963 0.5132002 0.5364833), wk = 0.0030211 k( 218) = ( 0.2888889 0.5003702 0.5364833), wk = 0.0030211 k( 219) = ( 0.2814815 0.4875402 0.5364833), wk = 0.0030211 k( 220) = ( 0.2740741 0.4747102 0.5364833), wk = 0.0030211 k( 221) = ( 0.2666667 0.4618802 0.5364833), wk = 0.0030211 k( 222) = ( 0.2592593 0.4490502 0.5364833), wk = 0.0030211 k( 223) = ( 0.2518518 0.4362202 0.5364833), wk = 0.0030211 k( 224) = ( 0.2444444 0.4233902 0.5364833), wk = 0.0030211 k( 225) = ( 0.2370370 0.4105602 0.5364833), wk = 0.0030211 k( 226) = ( 0.2296296 0.3977302 0.5364833), wk = 0.0030211 k( 227) = ( 0.2222222 0.3849002 0.5364833), wk = 0.0030211 k( 228) = ( 0.2148148 0.3720702 0.5364833), wk = 0.0030211 k( 229) = ( 0.2074074 0.3592402 0.5364833), wk = 0.0030211 k( 230) = ( 0.2000000 0.3464102 0.5364833), wk = 0.0030211 k( 231) = ( 0.1925926 0.3335802 0.5364833), wk = 0.0030211 k( 232) = ( 0.1851852 0.3207502 0.5364833), wk = 0.0030211 k( 233) = ( 0.1777778 0.3079201 0.5364833), wk = 0.0030211 k( 234) = ( 0.1703704 0.2950901 0.5364833), wk = 0.0030211 k( 235) = ( 0.1629630 0.2822601 0.5364833), wk = 0.0030211 k( 236) = ( 0.1555556 0.2694301 0.5364833), wk = 0.0030211 k( 237) = ( 0.1481482 0.2566001 0.5364833), wk = 0.0030211 k( 238) = ( 0.1407407 0.2437701 0.5364833), wk = 0.0030211 k( 239) = ( 0.1333333 0.2309401 0.5364833), wk = 0.0030211 k( 240) = ( 0.1259259 0.2181101 0.5364833), wk = 0.0030211 k( 241) = ( 0.1185185 0.2052801 0.5364833), wk = 0.0030211 k( 242) = ( 0.1111111 0.1924501 0.5364833), wk = 0.0030211 k( 243) = ( 0.1037037 0.1796201 0.5364833), wk = 0.0030211 k( 244) = ( 0.0962963 0.1667901 0.5364833), wk = 0.0030211 k( 245) = ( 0.0888889 0.1539601 0.5364833), wk = 0.0030211 k( 246) = ( 0.0814815 0.1411301 0.5364833), wk = 0.0030211 k( 247) = ( 0.0740741 0.1283001 0.5364833), wk = 0.0030211 k( 248) = ( 0.0666667 0.1154701 0.5364833), wk = 0.0030211 k( 249) = ( 0.0592593 0.1026400 0.5364833), wk = 0.0030211 k( 250) = ( 0.0518518 0.0898100 0.5364833), wk = 0.0030211 k( 251) = ( 0.0444444 0.0769800 0.5364833), wk = 0.0030211 k( 252) = ( 0.0370370 0.0641500 0.5364833), wk = 0.0030211 k( 253) = ( 0.0296296 0.0513200 0.5364833), wk = 0.0030211 k( 254) = ( 0.0222222 0.0384900 0.5364833), wk = 0.0030211 k( 255) = ( 0.0148148 0.0256600 0.5364833), wk = 0.0030211 k( 256) = ( 0.0074074 0.0128300 0.5364833), wk = 0.0030211 k( 257) = ( 0.0000000 0.0000000 0.5364833), wk = 0.0030211 k( 258) = ( 0.5000000 0.2886751 0.5364833), wk = 0.0030211 k( 259) = ( 0.5000000 0.2886751 0.5215810), wk = 0.0030211 k( 260) = ( 0.5000000 0.2886751 0.5066787), wk = 0.0030211 k( 261) = ( 0.5000000 0.2886751 0.4917764), wk = 0.0030211 k( 262) = ( 0.5000000 0.2886751 0.4768741), wk = 0.0030211 k( 263) = ( 0.5000000 0.2886751 0.4619718), wk = 0.0030211 k( 264) = ( 0.5000000 0.2886751 0.4470695), wk = 0.0030211 k( 265) = ( 0.5000000 0.2886751 0.4321671), wk = 0.0030211 k( 266) = ( 0.5000000 0.2886751 0.4172648), wk = 0.0030211 k( 267) = ( 0.5000000 0.2886751 0.4023625), wk = 0.0030211 k( 268) = ( 0.5000000 0.2886751 0.3874602), wk = 0.0030211 k( 269) = ( 0.5000000 0.2886751 0.3725579), wk = 0.0030211 k( 270) = ( 0.5000000 0.2886751 0.3576556), wk = 0.0030211 k( 271) = ( 0.5000000 0.2886751 0.3427532), wk = 0.0030211 k( 272) = ( 0.5000000 0.2886751 0.3278509), wk = 0.0030211 k( 273) = ( 0.5000000 0.2886751 0.3129486), wk = 0.0030211 k( 274) = ( 0.5000000 0.2886751 0.2980463), wk = 0.0030211 k( 275) = ( 0.5000000 0.2886751 0.2831440), wk = 0.0030211 k( 276) = ( 0.5000000 0.2886751 0.2682417), wk = 0.0030211 k( 277) = ( 0.5000000 0.2886751 0.2533394), wk = 0.0030211 k( 278) = ( 0.5000000 0.2886751 0.2384370), wk = 0.0030211 k( 279) = ( 0.5000000 0.2886751 0.2235347), wk = 0.0030211 k( 280) = ( 0.5000000 0.2886751 0.2086324), wk = 0.0030211 k( 281) = ( 0.5000000 0.2886751 0.1937301), wk = 0.0030211 k( 282) = ( 0.5000000 0.2886751 0.1788278), wk = 0.0030211 k( 283) = ( 0.5000000 0.2886751 0.1639255), wk = 0.0030211 k( 284) = ( 0.5000000 0.2886751 0.1490232), wk = 0.0030211 k( 285) = ( 0.5000000 0.2886751 0.1341208), wk = 0.0030211 k( 286) = ( 0.5000000 0.2886751 0.1192185), wk = 0.0030211 k( 287) = ( 0.5000000 0.2886751 0.1043162), wk = 0.0030211 k( 288) = ( 0.5000000 0.2886751 0.0894139), wk = 0.0030211 k( 289) = ( 0.5000000 0.2886751 0.0745116), wk = 0.0030211 k( 290) = ( 0.5000000 0.2886751 0.0596093), wk = 0.0030211 k( 291) = ( 0.5000000 0.2886751 0.0447069), wk = 0.0030211 k( 292) = ( 0.5000000 0.2886751 0.0298046), wk = 0.0030211 k( 293) = ( 0.5000000 0.2886751 0.0149023), wk = 0.0030211 k( 294) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 295) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 296) = ( 0.3333333 0.5773503 0.0149023), wk = 0.0030211 k( 297) = ( 0.3333333 0.5773503 0.0298046), wk = 0.0030211 k( 298) = ( 0.3333333 0.5773503 0.0447069), wk = 0.0030211 k( 299) = ( 0.3333333 0.5773503 0.0596093), wk = 0.0030211 k( 300) = ( 0.3333333 0.5773503 0.0745116), wk = 0.0030211 k( 301) = ( 0.3333333 0.5773503 0.0894139), wk = 0.0030211 k( 302) = ( 0.3333333 0.5773503 0.1043162), wk = 0.0030211 k( 303) = ( 0.3333333 0.5773503 0.1192185), wk = 0.0030211 k( 304) = ( 0.3333333 0.5773503 0.1341208), wk = 0.0030211 k( 305) = ( 0.3333333 0.5773503 0.1490232), wk = 0.0030211 k( 306) = ( 0.3333333 0.5773503 0.1639255), wk = 0.0030211 k( 307) = ( 0.3333333 0.5773503 0.1788278), wk = 0.0030211 k( 308) = ( 0.3333333 0.5773503 0.1937301), wk = 0.0030211 k( 309) = ( 0.3333333 0.5773503 0.2086324), wk = 0.0030211 k( 310) = ( 0.3333333 0.5773503 0.2235347), wk = 0.0030211 k( 311) = ( 0.3333333 0.5773503 0.2384370), wk = 0.0030211 k( 312) = ( 0.3333333 0.5773503 0.2533394), wk = 0.0030211 k( 313) = ( 0.3333333 0.5773503 0.2682417), wk = 0.0030211 k( 314) = ( 0.3333333 0.5773503 0.2831440), wk = 0.0030211 k( 315) = ( 0.3333333 0.5773503 0.2980463), wk = 0.0030211 k( 316) = ( 0.3333333 0.5773503 0.3129486), wk = 0.0030211 k( 317) = ( 0.3333333 0.5773503 0.3278509), wk = 0.0030211 k( 318) = ( 0.3333333 0.5773503 0.3427532), wk = 0.0030211 k( 319) = ( 0.3333333 0.5773503 0.3576556), wk = 0.0030211 k( 320) = ( 0.3333333 0.5773503 0.3725579), wk = 0.0030211 k( 321) = ( 0.3333333 0.5773503 0.3874602), wk = 0.0030211 k( 322) = ( 0.3333333 0.5773503 0.4023625), wk = 0.0030211 k( 323) = ( 0.3333333 0.5773503 0.4172648), wk = 0.0030211 k( 324) = ( 0.3333333 0.5773503 0.4321671), wk = 0.0030211 k( 325) = ( 0.3333333 0.5773503 0.4470695), wk = 0.0030211 k( 326) = ( 0.3333333 0.5773503 0.4619718), wk = 0.0030211 k( 327) = ( 0.3333333 0.5773503 0.4768741), wk = 0.0030211 k( 328) = ( 0.3333333 0.5773503 0.4917764), wk = 0.0030211 k( 329) = ( 0.3333333 0.5773503 0.5066787), wk = 0.0030211 k( 330) = ( 0.3333333 0.5773503 0.5215810), wk = 0.0030211 k( 331) = ( 0.3333333 0.5773503 0.5364833), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0128205 -0.0000000 0.0000000), wk = 0.0030211 k( 3) = ( 0.0256410 -0.0000000 0.0000000), wk = 0.0030211 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0030211 k( 5) = ( 0.0512821 -0.0000000 0.0000000), wk = 0.0030211 k( 6) = ( 0.0641026 -0.0000000 0.0000000), wk = 0.0030211 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0030211 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0030211 k( 9) = ( 0.1025641 -0.0000000 0.0000000), wk = 0.0030211 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0030211 k( 11) = ( 0.1282051 -0.0000000 0.0000000), wk = 0.0030211 k( 12) = ( 0.1410256 -0.0000000 0.0000000), wk = 0.0030211 k( 13) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0030211 k( 14) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0030211 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0030211 k( 16) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0030211 k( 17) = ( 0.2051282 -0.0000000 0.0000000), wk = 0.0030211 k( 18) = ( 0.2179487 -0.0000000 0.0000000), wk = 0.0030211 k( 19) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0030211 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0030211 k( 21) = ( 0.2564103 -0.0000000 0.0000000), wk = 0.0030211 k( 22) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0030211 k( 23) = ( 0.2820513 -0.0000000 0.0000000), wk = 0.0030211 k( 24) = ( 0.2948718 -0.0000000 0.0000000), wk = 0.0030211 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0030211 k( 26) = ( 0.3205128 -0.0000000 0.0000000), wk = 0.0030211 k( 27) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0030211 k( 28) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0030211 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0030211 k( 30) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0030211 k( 31) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0030211 k( 32) = ( 0.3974359 -0.0000000 0.0000000), wk = 0.0030211 k( 33) = ( 0.4102564 -0.0000000 0.0000000), wk = 0.0030211 k( 34) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0030211 k( 35) = ( 0.4358974 -0.0000000 0.0000000), wk = 0.0030211 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0030211 k( 37) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0030211 k( 38) = ( 0.4743590 -0.0000000 0.0000000), wk = 0.0030211 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0030211 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 42) = ( 0.4927536 0.0144928 0.0000000), wk = 0.0030211 k( 43) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0030211 k( 44) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0030211 k( 45) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0030211 k( 46) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0030211 k( 47) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0030211 k( 48) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0030211 k( 49) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0030211 k( 50) = ( 0.4347826 0.1304348 -0.0000000), wk = 0.0030211 k( 51) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0030211 k( 52) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0030211 k( 53) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0030211 k( 54) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0030211 k( 55) = ( 0.3985507 0.2028986 0.0000000), wk = 0.0030211 k( 56) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0030211 k( 57) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0030211 k( 58) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0030211 k( 59) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0030211 k( 60) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0030211 k( 61) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0030211 k( 62) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0030211 k( 63) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0030211 k( 64) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030211 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030211 k( 66) = ( 0.3259259 0.3259259 0.0000000), wk = 0.0030211 k( 67) = ( 0.3185185 0.3185185 0.0000000), wk = 0.0030211 k( 68) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0030211 k( 69) = ( 0.3037037 0.3037037 0.0000000), wk = 0.0030211 k( 70) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0030211 k( 71) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0030211 k( 72) = ( 0.2814815 0.2814815 0.0000000), wk = 0.0030211 k( 73) = ( 0.2740741 0.2740741 0.0000000), wk = 0.0030211 k( 74) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0030211 k( 75) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0030211 k( 76) = ( 0.2518518 0.2518518 0.0000000), wk = 0.0030211 k( 77) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0030211 k( 78) = ( 0.2370370 0.2370370 0.0000000), wk = 0.0030211 k( 79) = ( 0.2296296 0.2296296 0.0000000), wk = 0.0030211 k( 80) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0030211 k( 81) = ( 0.2148148 0.2148148 0.0000000), wk = 0.0030211 k( 82) = ( 0.2074074 0.2074074 0.0000000), wk = 0.0030211 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0030211 k( 84) = ( 0.1925926 0.1925926 0.0000000), wk = 0.0030211 k( 85) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0030211 k( 86) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0030211 k( 87) = ( 0.1703704 0.1703704 0.0000000), wk = 0.0030211 k( 88) = ( 0.1629630 0.1629630 0.0000000), wk = 0.0030211 k( 89) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0030211 k( 90) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0030211 k( 91) = ( 0.1407407 0.1407407 0.0000000), wk = 0.0030211 k( 92) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0030211 k( 93) = ( 0.1259259 0.1259259 0.0000000), wk = 0.0030211 k( 94) = ( 0.1185185 0.1185185 0.0000000), wk = 0.0030211 k( 95) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0030211 k( 96) = ( 0.1037037 0.1037037 0.0000000), wk = 0.0030211 k( 97) = ( 0.0962963 0.0962963 0.0000000), wk = 0.0030211 k( 98) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0030211 k( 99) = ( 0.0814815 0.0814815 0.0000000), wk = 0.0030211 k( 100) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0030211 k( 101) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0030211 k( 102) = ( 0.0592593 0.0592593 0.0000000), wk = 0.0030211 k( 103) = ( 0.0518518 0.0518518 0.0000000), wk = 0.0030211 k( 104) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0030211 k( 105) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0030211 k( 106) = ( 0.0296296 0.0296296 0.0000000), wk = 0.0030211 k( 107) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0030211 k( 108) = ( 0.0148148 0.0148148 0.0000000), wk = 0.0030211 k( 109) = ( 0.0074074 0.0074074 0.0000000), wk = 0.0030211 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 112) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0030211 k( 113) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0030211 k( 114) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0030211 k( 115) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0030211 k( 116) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0030211 k( 117) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030211 k( 118) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0030211 k( 119) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0030211 k( 120) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030211 k( 121) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0030211 k( 122) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0030211 k( 123) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030211 k( 124) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0030211 k( 125) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0030211 k( 126) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0030211 k( 127) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0030211 k( 128) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0030211 k( 129) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030211 k( 130) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0030211 k( 131) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0030211 k( 132) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0030211 k( 133) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0030211 k( 134) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0030211 k( 135) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030211 k( 136) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0030211 k( 137) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0030211 k( 138) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030211 k( 139) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0030211 k( 140) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0030211 k( 141) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030211 k( 142) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0030211 k( 143) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0030211 k( 144) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0030211 k( 145) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0030211 k( 146) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0030211 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 149) = ( 0.0128205 -0.0000000 0.5000000), wk = 0.0030211 k( 150) = ( 0.0256410 -0.0000000 0.5000000), wk = 0.0030211 k( 151) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0030211 k( 152) = ( 0.0512821 -0.0000000 0.5000000), wk = 0.0030211 k( 153) = ( 0.0641026 -0.0000000 0.5000000), wk = 0.0030211 k( 154) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0030211 k( 155) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0030211 k( 156) = ( 0.1025641 -0.0000000 0.5000000), wk = 0.0030211 k( 157) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0030211 k( 158) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0030211 k( 159) = ( 0.1410256 -0.0000000 0.5000000), wk = 0.0030211 k( 160) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0030211 k( 161) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0030211 k( 162) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0030211 k( 163) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0030211 k( 164) = ( 0.2051282 -0.0000000 0.5000000), wk = 0.0030211 k( 165) = ( 0.2179487 -0.0000000 0.5000000), wk = 0.0030211 k( 166) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0030211 k( 167) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0030211 k( 168) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0030211 k( 169) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0030211 k( 170) = ( 0.2820513 -0.0000000 0.5000000), wk = 0.0030211 k( 171) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0030211 k( 172) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0030211 k( 173) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0030211 k( 174) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0030211 k( 175) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0030211 k( 176) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0030211 k( 177) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0030211 k( 178) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0030211 k( 179) = ( 0.3974359 -0.0000000 0.5000000), wk = 0.0030211 k( 180) = ( 0.4102564 -0.0000000 0.5000000), wk = 0.0030211 k( 181) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0030211 k( 182) = ( 0.4358974 -0.0000000 0.5000000), wk = 0.0030211 k( 183) = ( 0.4487179 -0.0000000 0.5000000), wk = 0.0030211 k( 184) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0030211 k( 185) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0030211 k( 186) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0030211 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 189) = ( 0.4927536 0.0144928 0.5000000), wk = 0.0030211 k( 190) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0030211 k( 191) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0030211 k( 192) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0030211 k( 193) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0030211 k( 194) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0030211 k( 195) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0030211 k( 196) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0030211 k( 197) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0030211 k( 198) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0030211 k( 199) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0030211 k( 200) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0030211 k( 201) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0030211 k( 202) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0030211 k( 203) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0030211 k( 204) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0030211 k( 205) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0030211 k( 206) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0030211 k( 207) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0030211 k( 208) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0030211 k( 209) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0030211 k( 210) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0030211 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 k( 213) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0030211 k( 214) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0030211 k( 215) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0030211 k( 216) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0030211 k( 217) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0030211 k( 218) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0030211 k( 219) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0030211 k( 220) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0030211 k( 221) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0030211 k( 222) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0030211 k( 223) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0030211 k( 224) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0030211 k( 225) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0030211 k( 226) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0030211 k( 227) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0030211 k( 228) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0030211 k( 229) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0030211 k( 230) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0030211 k( 231) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0030211 k( 232) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0030211 k( 233) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0030211 k( 234) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0030211 k( 235) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0030211 k( 236) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0030211 k( 237) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0030211 k( 238) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0030211 k( 239) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0030211 k( 240) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0030211 k( 241) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0030211 k( 242) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030211 k( 243) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0030211 k( 244) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0030211 k( 245) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0030211 k( 246) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0030211 k( 247) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0030211 k( 248) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0030211 k( 249) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0030211 k( 250) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0030211 k( 251) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0030211 k( 252) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0030211 k( 253) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0030211 k( 254) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0030211 k( 255) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0030211 k( 256) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0030211 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 259) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0030211 k( 260) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0030211 k( 261) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0030211 k( 262) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0030211 k( 263) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0030211 k( 264) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0030211 k( 265) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0030211 k( 266) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0030211 k( 267) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0030211 k( 268) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0030211 k( 269) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0030211 k( 270) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030211 k( 271) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0030211 k( 272) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0030211 k( 273) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0030211 k( 274) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0030211 k( 275) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0030211 k( 276) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030211 k( 277) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0030211 k( 278) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0030211 k( 279) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0030211 k( 280) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0030211 k( 281) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0030211 k( 282) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030211 k( 283) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0030211 k( 284) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0030211 k( 285) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0030211 k( 286) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0030211 k( 287) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0030211 k( 288) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0030211 k( 289) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0030211 k( 290) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0030211 k( 291) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0030211 k( 292) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0030211 k( 293) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0030211 k( 294) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 295) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030211 k( 296) = ( 0.3333333 0.3333333 0.0138889), wk = 0.0030211 k( 297) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0030211 k( 298) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0030211 k( 299) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0030211 k( 300) = ( 0.3333333 0.3333333 0.0694444), wk = 0.0030211 k( 301) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0030211 k( 302) = ( 0.3333333 0.3333333 0.0972222), wk = 0.0030211 k( 303) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0030211 k( 304) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030211 k( 305) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0030211 k( 306) = ( 0.3333333 0.3333333 0.1527778), wk = 0.0030211 k( 307) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030211 k( 308) = ( 0.3333333 0.3333333 0.1805556), wk = 0.0030211 k( 309) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0030211 k( 310) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0030211 k( 311) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0030211 k( 312) = ( 0.3333333 0.3333333 0.2361111), wk = 0.0030211 k( 313) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030211 k( 314) = ( 0.3333333 0.3333333 0.2638889), wk = 0.0030211 k( 315) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0030211 k( 316) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0030211 k( 317) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0030211 k( 318) = ( 0.3333333 0.3333333 0.3194444), wk = 0.0030211 k( 319) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030211 k( 320) = ( 0.3333333 0.3333333 0.3472222), wk = 0.0030211 k( 321) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0030211 k( 322) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030211 k( 323) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0030211 k( 324) = ( 0.3333333 0.3333333 0.4027778), wk = 0.0030211 k( 325) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0030211 k( 326) = ( 0.3333333 0.3333333 0.4305556), wk = 0.0030211 k( 327) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0030211 k( 328) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0030211 k( 329) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0030211 k( 330) = ( 0.3333333 0.3333333 0.4861111), wk = 0.0030211 k( 331) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 Dense grid: 57865 G-vectors FFT dimensions: ( 54, 54, 50) Smooth grid: 25579 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 194, 68) NL pseudopotentials 0.22 Mb ( 97, 146) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1606) G-vector shells 0.01 Mb ( 805) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 194, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.30 Mb ( 146, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./NixAsO3x2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.3 secs Computing kpt #: 14 total cpu time spent up to now is 12.0 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 14.4 secs Computing kpt #: 17 total cpu time spent up to now is 15.0 secs Computing kpt #: 18 total cpu time spent up to now is 15.7 secs Computing kpt #: 19 total cpu time spent up to now is 16.4 secs Computing kpt #: 20 total cpu time spent up to now is 17.0 secs Computing kpt #: 21 total cpu time spent up to now is 17.7 secs Computing kpt #: 22 total cpu time spent up to now is 18.3 secs Computing kpt #: 23 total cpu time spent up to now is 18.9 secs Computing kpt #: 24 total cpu time spent up to now is 19.5 secs Computing kpt #: 25 total cpu time spent up to now is 20.2 secs Computing kpt #: 26 total cpu time spent up to now is 20.8 secs Computing kpt #: 27 total cpu time spent up to now is 21.4 secs Computing kpt #: 28 total cpu time spent up to now is 22.0 secs Computing kpt #: 29 total cpu time spent up to now is 22.7 secs Computing kpt #: 30 total cpu time spent up to now is 23.3 secs Computing kpt #: 31 total cpu time spent up to now is 24.0 secs Computing kpt #: 32 total cpu time spent up to now is 24.6 secs Computing kpt #: 33 total cpu time spent up to now is 25.3 secs Computing kpt #: 34 total cpu time spent up to now is 25.9 secs Computing kpt #: 35 total cpu time spent up to now is 26.5 secs Computing kpt #: 36 total cpu time spent up to now is 27.2 secs Computing kpt #: 37 total cpu time spent up to now is 27.8 secs Computing kpt #: 38 total cpu time spent up to now is 28.5 secs Computing kpt #: 39 total cpu time spent up to now is 29.1 secs Computing kpt #: 40 total cpu time spent up to now is 29.8 secs Computing kpt #: 41 total cpu time spent up to now is 30.5 secs Computing kpt #: 42 total cpu time spent up to now is 31.2 secs Computing kpt #: 43 total cpu time spent up to now is 31.9 secs Computing kpt #: 44 total cpu time spent up to now is 32.5 secs Computing kpt #: 45 total cpu time spent up to now is 33.2 secs Computing kpt #: 46 total cpu time spent up to now is 33.9 secs Computing kpt #: 47 total cpu time spent up to now is 34.5 secs Computing kpt #: 48 total cpu time spent up to now is 35.2 secs Computing kpt #: 49 total cpu time spent up to now is 35.8 secs Computing kpt #: 50 total cpu time spent up to now is 36.4 secs Computing kpt #: 51 total cpu time spent up to now is 37.0 secs Computing kpt #: 52 total cpu time spent up to now is 37.5 secs Computing kpt #: 53 total cpu time spent up to now is 38.1 secs Computing kpt #: 54 total cpu time spent up to now is 38.7 secs Computing kpt #: 55 total cpu time spent up to now is 39.3 secs Computing kpt #: 56 total cpu time spent up to now is 39.8 secs Computing kpt #: 57 total cpu time spent up to now is 40.4 secs Computing kpt #: 58 total cpu time spent up to now is 41.0 secs Computing kpt #: 59 total cpu time spent up to now is 41.6 secs Computing kpt #: 60 total cpu time spent up to now is 42.1 secs Computing kpt #: 61 total cpu time spent up to now is 42.7 secs Computing kpt #: 62 total cpu time spent up to now is 43.3 secs Computing kpt #: 63 total cpu time spent up to now is 43.8 secs Computing kpt #: 64 total cpu time spent up to now is 44.4 secs Computing kpt #: 65 total cpu time spent up to now is 44.9 secs Computing kpt #: 66 total cpu time spent up to now is 45.5 secs Computing kpt #: 67 total cpu time spent up to now is 46.1 secs Computing kpt #: 68 total cpu time spent up to now is 46.6 secs Computing kpt #: 69 total cpu time spent up to now is 47.2 secs Computing kpt #: 70 total cpu time spent up to now is 47.8 secs Computing kpt #: 71 total cpu time spent up to now is 48.4 secs Computing kpt #: 72 total cpu time spent up to now is 49.2 secs Computing kpt #: 73 total cpu time spent up to now is 49.9 secs Computing kpt #: 74 total cpu time spent up to now is 50.5 secs Computing kpt #: 75 total cpu time spent up to now is 51.1 secs Computing kpt #: 76 total cpu time spent up to now is 51.7 secs Computing kpt #: 77 total cpu time spent up to now is 52.3 secs Computing kpt #: 78 total cpu time spent up to now is 52.9 secs Computing kpt #: 79 total cpu time spent up to now is 53.5 secs Computing kpt #: 80 total cpu time spent up to now is 54.1 secs Computing kpt #: 81 total cpu time spent up to now is 54.7 secs Computing kpt #: 82 total cpu time spent up to now is 55.4 secs Computing kpt #: 83 total cpu time spent up to now is 56.0 secs Computing kpt #: 84 total cpu time spent up to now is 56.6 secs Computing kpt #: 85 total cpu time spent up to now is 57.2 secs Computing kpt #: 86 total cpu time spent up to now is 57.8 secs Computing kpt #: 87 total cpu time spent up to now is 58.5 secs Computing kpt #: 88 total cpu time spent up to now is 59.1 secs Computing kpt #: 89 total cpu time spent up to now is 59.8 secs Computing kpt #: 90 total cpu time spent up to now is 60.4 secs Computing kpt #: 91 total cpu time spent up to now is 61.1 secs Computing kpt #: 92 total cpu time spent up to now is 61.7 secs Computing kpt #: 93 total cpu time spent up to now is 62.4 secs Computing kpt #: 94 total cpu time spent up to now is 63.0 secs Computing kpt #: 95 total cpu time spent up to now is 63.7 secs Computing kpt #: 96 total cpu time spent up to now is 64.4 secs Computing kpt #: 97 total cpu time spent up to now is 65.1 secs Computing kpt #: 98 total cpu time spent up to now is 65.7 secs Computing kpt #: 99 total cpu time spent up to now is 66.4 secs Computing kpt #: 100 total cpu time spent up to now is 67.1 secs Computing kpt #: 101 total cpu time spent up to now is 67.7 secs Computing kpt #: 102 total cpu time spent up to now is 68.4 secs Computing kpt #: 103 total cpu time spent up to now is 69.1 secs Computing kpt #: 104 total cpu time spent up to now is 69.9 secs Computing kpt #: 105 total cpu time spent up to now is 70.5 secs Computing kpt #: 106 total cpu time spent up to now is 71.2 secs Computing kpt #: 107 total cpu time spent up to now is 71.9 secs Computing kpt #: 108 total cpu time spent up to now is 72.6 secs Computing kpt #: 109 total cpu time spent up to now is 73.3 secs Computing kpt #: 110 total cpu time spent up to now is 74.0 secs Computing kpt #: 111 total cpu time spent up to now is 74.7 secs Computing kpt #: 112 total cpu time spent up to now is 75.4 secs Computing kpt #: 113 total cpu time spent up to now is 76.1 secs Computing kpt #: 114 total cpu time spent up to now is 76.8 secs Computing kpt #: 115 total cpu time spent up to now is 77.5 secs Computing kpt #: 116 total cpu time spent up to now is 78.2 secs Computing kpt #: 117 total cpu time spent up to now is 78.9 secs Computing kpt #: 118 total cpu time spent up to now is 79.6 secs Computing kpt #: 119 total cpu time spent up to now is 80.3 secs Computing kpt #: 120 total cpu time spent up to now is 81.0 secs Computing kpt #: 121 total cpu time spent up to now is 81.7 secs Computing kpt #: 122 total cpu time spent up to now is 82.3 secs Computing kpt #: 123 total cpu time spent up to now is 83.0 secs Computing kpt #: 124 total cpu time spent up to now is 83.6 secs Computing kpt #: 125 total cpu time spent up to now is 84.3 secs Computing kpt #: 126 total cpu time spent up to now is 85.0 secs Computing kpt #: 127 total cpu time spent up to now is 85.7 secs Computing kpt #: 128 total cpu time spent up to now is 86.5 secs Computing kpt #: 129 total cpu time spent up to now is 87.7 secs Computing kpt #: 130 total cpu time spent up to now is 88.5 secs Computing kpt #: 131 total cpu time spent up to now is 89.5 secs Computing kpt #: 132 total cpu time spent up to now is 90.4 secs Computing kpt #: 133 total cpu time spent up to now is 91.1 secs Computing kpt #: 134 total cpu time spent up to now is 91.8 secs Computing kpt #: 135 total cpu time spent up to now is 92.5 secs Computing kpt #: 136 total cpu time spent up to now is 93.2 secs Computing kpt #: 137 total cpu time spent up to now is 97.2 secs Computing kpt #: 138 total cpu time spent up to now is 98.0 secs Computing kpt #: 139 total cpu time spent up to now is 98.8 secs Computing kpt #: 140 total cpu time spent up to now is 99.5 secs Computing kpt #: 141 total cpu time spent up to now is 100.4 secs Computing kpt #: 142 total cpu time spent up to now is 101.2 secs Computing kpt #: 143 total cpu time spent up to now is 102.0 secs Computing kpt #: 144 total cpu time spent up to now is 102.7 secs Computing kpt #: 145 total cpu time spent up to now is 103.5 secs Computing kpt #: 146 total cpu time spent up to now is 104.2 secs Computing kpt #: 147 total cpu time spent up to now is 105.0 secs Computing kpt #: 148 total cpu time spent up to now is 105.8 secs Computing kpt #: 149 total cpu time spent up to now is 106.5 secs Computing kpt #: 150 total cpu time spent up to now is 107.3 secs Computing kpt #: 151 total cpu time spent up to now is 108.0 secs Computing kpt #: 152 total cpu time spent up to now is 108.8 secs Computing kpt #: 153 total cpu time spent up to now is 109.5 secs Computing kpt #: 154 total cpu time spent up to now is 110.2 secs Computing kpt #: 155 total cpu time spent up to now is 110.9 secs Computing kpt #: 156 total cpu time spent up to now is 111.6 secs Computing kpt #: 157 total cpu time spent up to now is 112.4 secs Computing kpt #: 158 total cpu time spent up to now is 113.0 secs Computing kpt #: 159 total cpu time spent up to now is 113.8 secs Computing kpt #: 160 total cpu time spent up to now is 114.5 secs Computing kpt #: 161 total cpu time spent up to now is 115.2 secs Computing kpt #: 162 total cpu time spent up to now is 115.9 secs Computing kpt #: 163 total cpu time spent up to now is 116.5 secs Computing kpt #: 164 total cpu time spent up to now is 117.2 secs Computing kpt #: 165 total cpu time spent up to now is 117.9 secs Computing kpt #: 166 total cpu time spent up to now is 118.6 secs Computing kpt #: 167 total cpu time spent up to now is 119.3 secs Computing kpt #: 168 total cpu time spent up to now is 120.0 secs Computing kpt #: 169 total cpu time spent up to now is 120.7 secs Computing kpt #: 170 total cpu time spent up to now is 121.4 secs Computing kpt #: 171 total cpu time spent up to now is 122.1 secs Computing kpt #: 172 total cpu time spent up to now is 122.7 secs Computing kpt #: 173 total cpu time spent up to now is 123.4 secs Computing kpt #: 174 total cpu time spent up to now is 124.1 secs Computing kpt #: 175 total cpu time spent up to now is 124.8 secs Computing kpt #: 176 total cpu time spent up to now is 125.5 secs Computing kpt #: 177 total cpu time spent up to now is 126.2 secs Computing kpt #: 178 total cpu time spent up to now is 126.9 secs Computing kpt #: 179 total cpu time spent up to now is 127.5 secs Computing kpt #: 180 total cpu time spent up to now is 128.2 secs Computing kpt #: 181 total cpu time spent up to now is 128.9 secs Computing kpt #: 182 total cpu time spent up to now is 129.6 secs Computing kpt #: 183 total cpu time spent up to now is 130.3 secs Computing kpt #: 184 total cpu time spent up to now is 131.0 secs Computing kpt #: 185 total cpu time spent up to now is 131.7 secs Computing kpt #: 186 total cpu time spent up to now is 132.3 secs Computing kpt #: 187 total cpu time spent up to now is 133.0 secs Computing kpt #: 188 total cpu time spent up to now is 133.7 secs Computing kpt #: 189 total cpu time spent up to now is 134.4 secs Computing kpt #: 190 total cpu time spent up to now is 135.1 secs Computing kpt #: 191 total cpu time spent up to now is 135.8 secs Computing kpt #: 192 total cpu time spent up to now is 136.5 secs Computing kpt #: 193 total cpu time spent up to now is 137.2 secs Computing kpt #: 194 total cpu time spent up to now is 137.8 secs Computing kpt #: 195 total cpu time spent up to now is 138.5 secs Computing kpt #: 196 total cpu time spent up to now is 139.1 secs Computing kpt #: 197 total cpu time spent up to now is 139.8 secs Computing kpt #: 198 total cpu time spent up to now is 140.4 secs Computing kpt #: 199 total cpu time spent up to now is 141.0 secs Computing kpt #: 200 total cpu time spent up to now is 141.6 secs Computing kpt #: 201 total cpu time spent up to now is 142.2 secs Computing kpt #: 202 total cpu time spent up to now is 142.8 secs Computing kpt #: 203 total cpu time spent up to now is 143.4 secs Computing kpt #: 204 total cpu time spent up to now is 144.0 secs Computing kpt #: 205 total cpu time spent up to now is 144.6 secs Computing kpt #: 206 total cpu time spent up to now is 145.2 secs Computing kpt #: 207 total cpu time spent up to now is 145.7 secs Computing kpt #: 208 total cpu time spent up to now is 146.3 secs Computing kpt #: 209 total cpu time spent up to now is 146.9 secs Computing kpt #: 210 total cpu time spent up to now is 147.5 secs Computing kpt #: 211 total cpu time spent up to now is 148.1 secs Computing kpt #: 212 total cpu time spent up to now is 148.7 secs Computing kpt #: 213 total cpu time spent up to now is 149.3 secs Computing kpt #: 214 total cpu time spent up to now is 149.9 secs Computing kpt #: 215 total cpu time spent up to now is 150.5 secs Computing kpt #: 216 total cpu time spent up to now is 151.1 secs Computing kpt #: 217 total cpu time spent up to now is 151.7 secs Computing kpt #: 218 total cpu time spent up to now is 152.3 secs Computing kpt #: 219 total cpu time spent up to now is 152.9 secs Computing kpt #: 220 total cpu time spent up to now is 153.5 secs Computing kpt #: 221 total cpu time spent up to now is 154.1 secs Computing kpt #: 222 total cpu time spent up to now is 154.7 secs Computing kpt #: 223 total cpu time spent up to now is 155.3 secs Computing kpt #: 224 total cpu time spent up to now is 155.9 secs Computing kpt #: 225 total cpu time spent up to now is 156.5 secs Computing kpt #: 226 total cpu time spent up to now is 157.2 secs Computing kpt #: 227 total cpu time spent up to now is 157.8 secs Computing kpt #: 228 total cpu time spent up to now is 158.4 secs Computing kpt #: 229 total cpu time spent up to now is 159.7 secs Computing kpt #: 230 total cpu time spent up to now is 160.3 secs Computing kpt #: 231 total cpu time spent up to now is 161.0 secs Computing kpt #: 232 total cpu time spent up to now is 161.7 secs Computing kpt #: 233 total cpu time spent up to now is 162.3 secs Computing kpt #: 234 total cpu time spent up to now is 163.0 secs Computing kpt #: 235 total cpu time spent up to now is 163.7 secs Computing kpt #: 236 total cpu time spent up to now is 164.3 secs Computing kpt #: 237 total cpu time spent up to now is 165.0 secs Computing kpt #: 238 total cpu time spent up to now is 165.7 secs Computing kpt #: 239 total cpu time spent up to now is 166.4 secs Computing kpt #: 240 total cpu time spent up to now is 167.1 secs Computing kpt #: 241 total cpu time spent up to now is 167.8 secs Computing kpt #: 242 total cpu time spent up to now is 168.5 secs Computing kpt #: 243 total cpu time spent up to now is 169.2 secs Computing kpt #: 244 total cpu time spent up to now is 169.8 secs Computing kpt #: 245 total cpu time spent up to now is 170.5 secs Computing kpt #: 246 total cpu time spent up to now is 171.2 secs Computing kpt #: 247 total cpu time spent up to now is 171.9 secs Computing kpt #: 248 total cpu time spent up to now is 172.7 secs Computing kpt #: 249 total cpu time spent up to now is 173.4 secs Computing kpt #: 250 total cpu time spent up to now is 174.1 secs Computing kpt #: 251 total cpu time spent up to now is 174.8 secs Computing kpt #: 252 total cpu time spent up to now is 175.5 secs Computing kpt #: 253 total cpu time spent up to now is 176.3 secs Computing kpt #: 254 total cpu time spent up to now is 177.0 secs Computing kpt #: 255 total cpu time spent up to now is 177.8 secs Computing kpt #: 256 total cpu time spent up to now is 178.6 secs Computing kpt #: 257 total cpu time spent up to now is 179.3 secs Computing kpt #: 258 total cpu time spent up to now is 180.0 secs Computing kpt #: 259 total cpu time spent up to now is 180.7 secs Computing kpt #: 260 total cpu time spent up to now is 181.4 secs Computing kpt #: 261 total cpu time spent up to now is 182.1 secs Computing kpt #: 262 total cpu time spent up to now is 182.8 secs Computing kpt #: 263 total cpu time spent up to now is 183.5 secs Computing kpt #: 264 total cpu time spent up to now is 184.1 secs Computing kpt #: 265 total cpu time spent up to now is 184.9 secs Computing kpt #: 266 total cpu time spent up to now is 185.5 secs Computing kpt #: 267 total cpu time spent up to now is 186.2 secs Computing kpt #: 268 total cpu time spent up to now is 186.8 secs Computing kpt #: 269 total cpu time spent up to now is 187.5 secs Computing kpt #: 270 total cpu time spent up to now is 188.1 secs Computing kpt #: 271 total cpu time spent up to now is 188.7 secs Computing kpt #: 272 total cpu time spent up to now is 189.3 secs Computing kpt #: 273 total cpu time spent up to now is 190.0 secs Computing kpt #: 274 total cpu time spent up to now is 190.6 secs Computing kpt #: 275 total cpu time spent up to now is 191.2 secs Computing kpt #: 276 total cpu time spent up to now is 191.8 secs Computing kpt #: 277 total cpu time spent up to now is 192.4 secs Computing kpt #: 278 total cpu time spent up to now is 193.0 secs Computing kpt #: 279 total cpu time spent up to now is 193.7 secs Computing kpt #: 280 total cpu time spent up to now is 194.3 secs Computing kpt #: 281 total cpu time spent up to now is 194.9 secs Computing kpt #: 282 total cpu time spent up to now is 195.5 secs Computing kpt #: 283 total cpu time spent up to now is 196.2 secs Computing kpt #: 284 total cpu time spent up to now is 196.8 secs Computing kpt #: 285 total cpu time spent up to now is 197.4 secs Computing kpt #: 286 total cpu time spent up to now is 198.0 secs Computing kpt #: 287 total cpu time spent up to now is 198.7 secs Computing kpt #: 288 total cpu time spent up to now is 199.3 secs Computing kpt #: 289 total cpu time spent up to now is 200.0 secs Computing kpt #: 290 total cpu time spent up to now is 200.6 secs Computing kpt #: 291 total cpu time spent up to now is 201.3 secs Computing kpt #: 292 total cpu time spent up to now is 201.9 secs Computing kpt #: 293 total cpu time spent up to now is 202.6 secs Computing kpt #: 294 total cpu time spent up to now is 203.2 secs Computing kpt #: 295 total cpu time spent up to now is 203.8 secs Computing kpt #: 296 total cpu time spent up to now is 204.3 secs Computing kpt #: 297 total cpu time spent up to now is 204.9 secs Computing kpt #: 298 total cpu time spent up to now is 205.4 secs Computing kpt #: 299 total cpu time spent up to now is 206.0 secs Computing kpt #: 300 total cpu time spent up to now is 206.5 secs Computing kpt #: 301 total cpu time spent up to now is 207.0 secs Computing kpt #: 302 total cpu time spent up to now is 207.6 secs Computing kpt #: 303 total cpu time spent up to now is 208.1 secs Computing kpt #: 304 total cpu time spent up to now is 208.7 secs Computing kpt #: 305 total cpu time spent up to now is 209.2 secs Computing kpt #: 306 total cpu time spent up to now is 209.8 secs Computing kpt #: 307 total cpu time spent up to now is 210.3 secs Computing kpt #: 308 total cpu time spent up to now is 210.9 secs Computing kpt #: 309 total cpu time spent up to now is 211.5 secs Computing kpt #: 310 total cpu time spent up to now is 212.0 secs Computing kpt #: 311 total cpu time spent up to now is 212.6 secs Computing kpt #: 312 total cpu time spent up to now is 213.1 secs Computing kpt #: 313 total cpu time spent up to now is 213.7 secs Computing kpt #: 314 total cpu time spent up to now is 214.3 secs Computing kpt #: 315 total cpu time spent up to now is 214.8 secs Computing kpt #: 316 total cpu time spent up to now is 215.4 secs Computing kpt #: 317 total cpu time spent up to now is 215.9 secs Computing kpt #: 318 total cpu time spent up to now is 216.5 secs Computing kpt #: 319 total cpu time spent up to now is 217.1 secs Computing kpt #: 320 total cpu time spent up to now is 217.6 secs Computing kpt #: 321 total cpu time spent up to now is 218.2 secs Computing kpt #: 322 total cpu time spent up to now is 218.8 secs Computing kpt #: 323 total cpu time spent up to now is 219.4 secs Computing kpt #: 324 total cpu time spent up to now is 220.0 secs Computing kpt #: 325 total cpu time spent up to now is 220.5 secs Computing kpt #: 326 total cpu time spent up to now is 221.1 secs Computing kpt #: 327 total cpu time spent up to now is 221.7 secs Computing kpt #: 328 total cpu time spent up to now is 222.3 secs Computing kpt #: 329 total cpu time spent up to now is 222.9 secs Computing kpt #: 330 total cpu time spent up to now is 223.5 secs Computing kpt #: 331 total cpu time spent up to now is 224.1 secs ethr = 1.79E-08, avg # of iterations = 17.7 total cpu time spent up to now is 224.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3199 PWs) bands (ev): -14.1896 -14.1896 -10.7032 -10.7032 -10.6754 -10.6754 -10.4108 -10.4108 -9.4874 -9.4874 -9.4794 -9.4794 -4.3375 -4.3375 -0.8491 -0.8491 1.2056 1.2056 1.3090 1.3090 1.3117 1.3117 2.3507 2.3507 2.3974 2.3974 3.9872 3.9872 4.7768 4.7768 4.7861 4.7861 4.8003 4.8003 5.2970 5.2970 5.3258 5.3258 6.3367 6.3367 6.3637 6.3637 6.7716 6.7716 6.7960 6.7960 7.3767 7.3767 8.3211 8.3211 8.3360 8.3360 8.4766 8.4766 9.0931 9.0931 9.1068 9.1068 10.5101 10.5101 12.6744 12.6744 15.0452 15.0452 17.4115 17.4115 18.0318 18.0318 k = 0.0128 0.0074-0.0000 ( 3199 PWs) bands (ev): -14.1887 -14.1887 -10.7047 -10.7047 -10.6769 -10.6769 -10.4102 -10.4102 -9.4873 -9.4873 -9.4793 -9.4793 -4.3349 -4.3349 -0.8489 -0.8489 1.2045 1.2045 1.3078 1.3078 1.3122 1.3122 2.3523 2.3523 2.3993 2.3993 3.9898 3.9898 4.7305 4.7305 4.7921 4.7921 4.8383 4.8383 5.2965 5.2965 5.3253 5.3253 6.3353 6.3353 6.3621 6.3621 6.7701 6.7701 6.7946 6.7946 7.3766 7.3766 8.3210 8.3210 8.3359 8.3359 8.4764 8.4764 9.0935 9.0935 9.1072 9.1072 10.5149 10.5149 12.6751 12.6751 15.0482 15.0482 17.4044 17.4044 18.0349 18.0349 k = 0.0256 0.0148-0.0000 ( 3199 PWs) bands (ev): -14.1861 -14.1861 -10.7097 -10.7097 -10.6811 -10.6811 -10.4085 -10.4085 -9.4869 -9.4869 -9.4791 -9.4791 -4.3272 -4.3272 -0.8482 -0.8482 1.2012 1.2012 1.3048 1.3048 1.3138 1.3138 2.3550 2.3550 2.4067 2.4067 3.9973 3.9973 4.6763 4.6763 4.7898 4.7898 4.8877 4.8877 5.2946 5.2946 5.3240 5.3240 6.3312 6.3312 6.3573 6.3573 6.7640 6.7640 6.7919 6.7919 7.3762 7.3762 8.3210 8.3210 8.3355 8.3355 8.4761 8.4761 9.0947 9.0947 9.1083 9.1083 10.5292 10.5292 12.6772 12.6772 15.0573 15.0573 17.3839 17.3839 18.0434 18.0434 k = 0.0385 0.0222-0.0000 ( 3197 PWs) bands (ev): -14.1817 -14.1817 -10.7190 -10.7190 -10.6871 -10.6871 -10.4056 -10.4056 -9.4864 -9.4864 -9.4786 -9.4786 -4.3144 -4.3144 -0.8472 -0.8472 1.1951 1.1951 1.3006 1.3006 1.3164 1.3164 2.3550 2.3550 2.4234 2.4234 4.0097 4.0097 4.6210 4.6210 4.7856 4.7856 4.9349 4.9349 5.2905 5.2905 5.3232 5.3232 6.3241 6.3241 6.3492 6.3492 6.7511 6.7511 6.7909 6.7909 7.3755 7.3755 8.3209 8.3209 8.3350 8.3350 8.4754 8.4754 9.0966 9.0966 9.1101 9.1101 10.5527 10.5527 12.6807 12.6807 15.0722 15.0722 17.3516 17.3516 18.0557 18.0557 k = 0.0513 0.0296-0.0000 ( 3199 PWs) bands (ev): -14.1756 -14.1756 -10.7335 -10.7335 -10.6938 -10.6938 -10.4017 -10.4017 -9.4858 -9.4858 -9.4781 -9.4781 -4.2965 -4.2965 -0.8457 -0.8457 1.1856 1.1856 1.2965 1.2965 1.3203 1.3203 2.3508 2.3508 2.4499 2.4499 4.0267 4.0267 4.5650 4.5650 4.7798 4.7798 4.9788 4.9788 5.2834 5.2834 5.3247 5.3247 6.3139 6.3139 6.3376 6.3376 6.7318 6.7318 6.7919 6.7919 7.3747 7.3747 8.3207 8.3207 8.3342 8.3342 8.4745 8.4745 9.0992 9.0992 9.1126 9.1126 10.5850 10.5850 12.6855 12.6855 15.0929 15.0929 17.3097 17.3097 18.0696 18.0696 k = 0.0641 0.0370-0.0000 ( 3195 PWs) bands (ev): -14.1677 -14.1677 -10.7532 -10.7532 -10.7009 -10.7009 -10.3967 -10.3967 -9.4850 -9.4850 -9.4775 -9.4775 -4.2738 -4.2738 -0.8439 -0.8439 1.1725 1.1725 1.2934 1.2934 1.3256 1.3256 2.3433 2.3433 2.4847 2.4847 4.0479 4.0479 4.5085 4.5085 4.7723 4.7723 5.0182 5.0182 5.2732 5.2732 5.3297 5.3297 6.3004 6.3004 6.3220 6.3220 6.7083 6.7083 6.7941 6.7941 7.3739 7.3739 8.3203 8.3203 8.3332 8.3332 8.4734 8.4734 9.1025 9.1025 9.1159 9.1159 10.6256 10.6256 12.6915 12.6915 15.1191 15.1191 17.2603 17.2603 18.0832 18.0832 k = 0.0769 0.0444-0.0000 ( 3195 PWs) bands (ev): -14.1581 -14.1581 -10.7779 -10.7779 -10.7084 -10.7084 -10.3907 -10.3907 -9.4841 -9.4841 -9.4768 -9.4768 -4.2462 -4.2462 -0.8417 -0.8417 1.1561 1.1561 1.2917 1.2917 1.3323 1.3323 2.3334 2.3334 2.5262 2.5262 4.0727 4.0727 4.4519 4.4519 4.7633 4.7633 5.0518 5.0518 5.2603 5.2603 5.3392 5.3392 6.2831 6.2831 6.3021 6.3021 6.6826 6.6826 6.7969 6.7969 7.3730 7.3730 8.3197 8.3197 8.3320 8.3320 8.4719 8.4719 9.1063 9.1063 9.1201 9.1201 10.6739 10.6739 12.6988 12.6988 15.1507 15.1507 17.2053 17.2053 18.0951 18.0951 k = 0.0897 0.0518-0.0000 ( 3197 PWs) bands (ev): -14.1468 -14.1468 -10.8071 -10.8071 -10.7164 -10.7164 -10.3838 -10.3838 -9.4833 -9.4833 -9.4761 -9.4761 -4.2141 -4.2141 -0.8392 -0.8392 1.1370 1.1370 1.2913 1.2913 1.3405 1.3405 2.3217 2.3217 2.5730 2.5730 4.1005 4.1005 4.3952 4.3952 4.7530 4.7530 5.0784 5.0784 5.2452 5.2452 5.3539 5.3539 6.2609 6.2609 6.2785 6.2785 6.6566 6.6566 6.8000 6.8000 7.3723 7.3723 8.3189 8.3189 8.3306 8.3306 8.4701 8.4701 9.1104 9.1104 9.1253 9.1253 10.7291 10.7291 12.7072 12.7072 15.1872 15.1872 17.1461 17.1461 18.1045 18.1045 k = 0.1026 0.0592-0.0000 ( 3201 PWs) bands (ev): -14.1337 -14.1337 -10.8405 -10.8405 -10.7249 -10.7249 -10.3761 -10.3761 -9.4824 -9.4824 -9.4755 -9.4755 -4.1776 -4.1776 -0.8365 -0.8365 1.1162 1.1162 1.2921 1.2921 1.3504 1.3504 2.3086 2.3086 2.6238 2.6238 4.1305 4.1305 4.3389 4.3389 4.7416 4.7416 5.0975 5.0975 5.2286 5.2286 5.3741 5.3741 6.2308 6.2308 6.2538 6.2538 6.6319 6.6319 6.8030 6.8030 7.3717 7.3717 8.3176 8.3176 8.3290 8.3290 8.4681 8.4681 9.1147 9.1147 9.1317 9.1317 10.7906 10.7906 12.7165 12.7165 15.2283 15.2283 17.0839 17.0839 18.1107 18.1107 k = 0.1154 0.0666-0.0000 ( 3195 PWs) bands (ev): -14.1189 -14.1189 -10.8776 -10.8776 -10.7341 -10.7341 -10.3676 -10.3676 -9.4817 -9.4817 -9.4749 -9.4749 -4.1369 -4.1369 -0.8336 -0.8336 1.0945 1.0945 1.2937 1.2937 1.3619 1.3619 2.2945 2.2945 2.6777 2.6777 4.1616 4.1616 4.2833 4.2833 4.7297 4.7297 5.1095 5.1095 5.2108 5.2108 5.3991 5.3991 6.1918 6.1918 6.2293 6.2293 6.6097 6.6097 6.8057 6.8057 7.3714 7.3714 8.3159 8.3159 8.3275 8.3275 8.4657 8.4657 9.1190 9.1190 9.1395 9.1395 10.8575 10.8575 12.7268 12.7268 15.2737 15.2737 17.0197 17.0197 18.1130 18.1130 k = 0.1282 0.0740-0.0000 ( 3187 PWs) bands (ev): -14.1025 -14.1025 -10.9183 -10.9183 -10.7437 -10.7437 -10.3583 -10.3583 -9.4811 -9.4811 -9.4745 -9.4745 -4.0921 -4.0921 -0.8306 -0.8306 1.0726 1.0726 1.2961 1.2961 1.3749 1.3749 2.2795 2.2795 2.7336 2.7336 4.1912 4.1912 4.2301 4.2301 4.7180 4.7180 5.1154 5.1154 5.1922 5.1922 5.4272 5.4272 6.1450 6.1450 6.2047 6.2047 6.5902 6.5902 6.8081 6.8081 7.3714 7.3714 8.3136 8.3136 8.3259 8.3259 8.4631 8.4631 9.1232 9.1232 9.1489 9.1489 10.9290 10.9290 12.7378 12.7378 15.3229 15.3229 16.9544 16.9544 18.1107 18.1107 k = 0.1410 0.0814-0.0000 ( 3191 PWs) bands (ev): -14.0844 -14.0844 -10.9623 -10.9623 -10.7538 -10.7538 -10.3482 -10.3482 -9.4808 -9.4808 -9.4742 -9.4742 -4.0437 -4.0437 -0.8275 -0.8275 1.0512 1.0512 1.2990 1.2990 1.3893 1.3893 2.2640 2.2640 2.7906 2.7906 4.1717 4.1717 4.2256 4.2256 4.7077 4.7077 5.1167 5.1167 5.1734 5.1734 5.4568 5.4568 6.0920 6.0920 6.1799 6.1799 6.5735 6.5735 6.8100 6.8100 7.3716 7.3716 8.3107 8.3107 8.3242 8.3242 8.4601 8.4601 9.1274 9.1274 9.1596 9.1596 11.0045 11.0045 12.7495 12.7495 15.3755 15.3755 16.8887 16.8887 18.1023 18.1023 k = 0.1538 0.0888-0.0000 ( 3187 PWs) bands (ev): -14.0646 -14.0646 -11.0091 -11.0091 -10.7643 -10.7643 -10.3376 -10.3376 -9.4807 -9.4807 -9.4741 -9.4741 -3.9919 -3.9919 -0.8243 -0.8243 1.0307 1.0307 1.3024 1.3024 1.4052 1.4052 2.2481 2.2481 2.8475 2.8475 4.1208 4.1208 4.2506 4.2506 4.7005 4.7005 5.1146 5.1146 5.1547 5.1547 5.4860 5.4860 6.0344 6.0344 6.1555 6.1555 6.5591 6.5591 6.8114 6.8114 7.3722 7.3722 8.3071 8.3071 8.3224 8.3224 8.4569 8.4569 9.1315 9.1315 9.1719 9.1719 11.0832 11.0832 12.7616 12.7616 15.4309 15.4309 16.8232 16.8232 18.0857 18.0857 k = 0.1667 0.0962-0.0000 ( 3191 PWs) bands (ev): -14.0432 -14.0432 -11.0586 -11.0586 -10.7752 -10.7752 -10.3263 -10.3263 -9.4808 -9.4808 -9.4744 -9.4744 -3.9368 -3.9368 -0.8212 -0.8212 1.0114 1.0114 1.3063 1.3063 1.4222 1.4222 2.2319 2.2319 2.9032 2.9032 4.0717 4.0717 4.2705 4.2705 4.6984 4.6984 5.1097 5.1097 5.1365 5.1365 5.5132 5.5132 5.9736 5.9736 6.1323 6.1323 6.5464 6.5464 6.8122 6.8122 7.3730 7.3730 8.3029 8.3029 8.3206 8.3206 8.4533 8.4533 9.1356 9.1356 9.1858 9.1858 11.1644 11.1644 12.7741 12.7741 15.4887 15.4887 16.7585 16.7585 18.0584 18.0584 k = 0.1795 0.1036-0.0000 ( 3191 PWs) bands (ev): -14.0202 -14.0202 -11.1105 -11.1105 -10.7862 -10.7862 -10.3144 -10.3144 -9.4813 -9.4813 -9.4748 -9.4748 -3.8789 -3.8789 -0.8182 -0.8182 0.9936 0.9936 1.3107 1.3107 1.4403 1.4403 2.2154 2.2154 2.9561 2.9561 4.0259 4.0259 4.2821 4.2821 4.7033 4.7033 5.1019 5.1019 5.1199 5.1199 5.5368 5.5368 5.9111 5.9111 6.1113 6.1113 6.5349 6.5349 6.8124 6.8124 7.3739 7.3739 8.2979 8.2979 8.3186 8.3186 8.4494 8.4494 9.1398 9.1398 9.2012 9.2012 11.2474 11.2474 12.7868 12.7868 15.5483 15.5483 16.6951 16.6951 18.0184 18.0184 k = 0.1923 0.1110-0.0000 ( 3193 PWs) bands (ev): -13.9956 -13.9956 -11.1645 -11.1645 -10.7974 -10.7974 -10.3019 -10.3019 -9.4821 -9.4821 -9.4757 -9.4757 -3.8184 -3.8184 -0.8153 -0.8153 0.9776 0.9776 1.3157 1.3157 1.4594 1.4594 2.1988 2.1988 3.0047 3.0047 3.9850 3.9850 4.2839 4.2839 4.7164 4.7164 5.0901 5.0901 5.1068 5.1068 5.5555 5.5555 5.8482 5.8482 6.0937 6.0937 6.5242 6.5242 6.8122 6.8122 7.3749 7.3749 8.2924 8.2924 8.3164 8.3164 8.4453 8.4453 9.1439 9.1439 9.2180 9.2180 11.3317 11.3317 12.7994 12.7994 15.6092 15.6092 16.6336 16.6336 17.9653 17.9653 k = 0.2051 0.1184-0.0000 ( 3197 PWs) bands (ev): -13.9695 -13.9695 -11.2205 -11.2205 -10.8087 -10.8087 -10.2890 -10.2890 -9.4831 -9.4831 -9.4769 -9.4769 -3.7556 -3.7556 -0.8126 -0.8126 0.9634 0.9634 1.3212 1.3212 1.4793 1.4793 2.1821 2.1821 3.0468 3.0468 3.9506 3.9506 4.2758 4.2758 4.7375 4.7375 5.0746 5.0746 5.0974 5.0974 5.5679 5.5679 5.7862 5.7862 6.0803 6.0803 6.5139 6.5139 6.8117 6.8117 7.3757 7.3757 8.2861 8.2861 8.3141 8.3141 8.4410 8.4410 9.1480 9.1480 9.2363 9.2363 11.4166 11.4166 12.8120 12.8120 15.6708 15.6708 16.5744 16.5744 17.9005 17.9005 k = 0.2179 0.1258-0.0000 ( 3193 PWs) bands (ev): -13.9419 -13.9419 -11.2780 -11.2780 -10.8201 -10.8201 -10.2756 -10.2756 -9.4845 -9.4845 -9.4785 -9.4785 -3.6908 -3.6908 -0.8102 -0.8102 0.9512 0.9512 1.3274 1.3274 1.4999 1.4999 2.1652 2.1652 3.0803 3.0803 3.9247 3.9247 4.2589 4.2589 4.7648 4.7648 5.0579 5.0579 5.0895 5.0895 5.5732 5.5732 5.7266 5.7266 6.0720 6.0720 6.5038 6.5038 6.8110 6.8110 7.3763 7.3763 8.2791 8.2791 8.3117 8.3117 8.4366 8.4366 9.1522 9.1522 9.2561 9.2561 11.5017 11.5017 12.8242 12.8242 15.7325 15.7325 16.5181 16.5181 17.8267 17.8267 k = 0.2308 0.1332-0.0000 ( 3173 PWs) bands (ev): -13.9128 -13.9128 -11.3370 -11.3370 -10.8314 -10.8314 -10.2618 -10.2618 -9.4861 -9.4861 -9.4806 -9.4806 -3.6245 -3.6245 -0.8081 -0.8081 0.9409 0.9409 1.3344 1.3344 1.5210 1.5210 2.1483 2.1483 3.1027 3.1027 3.9092 3.9092 4.2350 4.2350 4.7959 4.7959 5.0410 5.0410 5.0826 5.0826 5.5711 5.5711 5.6709 5.6709 6.0690 6.0690 6.4936 6.4936 6.8104 6.8104 7.3764 7.3764 8.2715 8.2715 8.3092 8.3092 8.4320 8.4320 9.1565 9.1565 9.2772 9.2772 11.5864 11.5864 12.8360 12.8360 15.7937 15.7937 16.4651 16.4651 17.7468 17.7468 k = 0.2436 0.1406-0.0000 ( 3179 PWs) bands (ev): -13.8823 -13.8823 -11.3971 -11.3971 -10.8425 -10.8425 -10.2476 -10.2476 -9.4880 -9.4880 -9.4831 -9.4831 -3.5568 -3.5568 -0.8064 -0.8064 0.9326 0.9326 1.3422 1.3422 1.5425 1.5425 2.1311 2.1311 3.1124 3.1124 3.9055 3.9055 4.2060 4.2060 4.8282 4.8282 5.0240 5.0240 5.0763 5.0763 5.5618 5.5618 5.6207 5.6207 6.0708 6.0708 6.4831 6.4831 6.8102 6.8102 7.3759 7.3759 8.2630 8.2630 8.3065 8.3065 8.4273 8.4273 9.1607 9.1607 9.2995 9.2995 11.6703 11.6703 12.8471 12.8471 15.8537 15.8537 16.4158 16.4158 17.6630 17.6630 k = 0.2564 0.1480-0.0000 ( 3191 PWs) bands (ev): -13.8505 -13.8505 -11.4581 -11.4581 -10.8536 -10.8536 -10.2331 -10.2331 -9.4902 -9.4902 -9.4859 -9.4859 -3.4882 -3.4882 -0.8050 -0.8050 0.9263 0.9263 1.3509 1.3509 1.5640 1.5640 2.1139 2.1139 3.1087 3.1087 3.9139 3.9139 4.1735 4.1735 4.8588 4.8588 5.0069 5.0069 5.0711 5.0711 5.5463 5.5463 5.5782 5.5782 6.0763 6.0763 6.4723 6.4723 6.8106 6.8106 7.3747 7.3747 8.2537 8.2537 8.3036 8.3036 8.4226 8.4226 9.1649 9.1649 9.3229 9.3229 11.7529 11.7529 12.8575 12.8575 15.9118 15.9118 16.3710 16.3710 17.5772 17.5772 k = 0.2692 0.1554-0.0000 ( 3187 PWs) bands (ev): -13.8174 -13.8174 -11.5198 -11.5198 -10.8644 -10.8644 -10.2183 -10.2183 -9.4929 -9.4929 -9.4890 -9.4890 -3.4191 -3.4191 -0.8041 -0.8041 0.9219 0.9219 1.3605 1.3605 1.5855 1.5855 2.0965 2.0965 3.0923 3.0923 3.9334 3.9334 4.1388 4.1388 4.8853 4.8853 4.9897 4.9897 5.0671 5.0671 5.5259 5.5259 5.5453 5.5453 6.0842 6.0842 6.4611 6.4611 6.8120 6.8120 7.3726 7.3726 8.2437 8.2437 8.3007 8.3007 8.4179 8.4179 9.1691 9.1691 9.3473 9.3473 11.8338 11.8338 12.8670 12.8670 15.9670 15.9670 16.3311 16.3311 17.4909 17.4909 k = 0.2821 0.1628-0.0000 ( 3193 PWs) bands (ev): -13.7830 -13.7830 -11.5821 -11.5821 -10.8749 -10.8749 -10.2033 -10.2033 -9.4963 -9.4963 -9.4920 -9.4920 -3.3498 -3.3498 -0.8036 -0.8036 0.9192 0.9192 1.3713 1.3713 1.6065 1.6065 2.0791 2.0791 3.0649 3.0649 3.9620 3.9620 4.1030 4.1030 4.9053 4.9053 4.9720 4.9720 5.0645 5.0645 5.5027 5.5027 5.5231 5.5231 6.0931 6.0931 6.4495 6.4495 6.8146 6.8146 7.3694 7.3694 8.2330 8.2330 8.2976 8.2976 8.4133 8.4133 9.1733 9.1733 9.3725 9.3725 11.9127 11.9127 12.8755 12.8755 16.0181 16.0181 16.2973 16.2973 17.4053 17.4053 k = 0.2949 0.1702-0.0000 ( 3191 PWs) bands (ev): -13.7476 -13.7476 -11.6445 -11.6445 -10.8851 -10.8851 -10.1882 -10.1882 -9.5005 -9.5005 -9.4948 -9.4948 -3.2806 -3.2806 -0.8035 -0.8035 0.9181 0.9181 1.3832 1.3832 1.6269 1.6269 2.0618 2.0618 3.0285 3.0285 3.9966 3.9966 4.0673 4.0673 4.9175 4.9175 4.9536 4.9536 5.0635 5.0635 5.4779 5.4779 5.5133 5.5133 6.1017 6.1017 6.4374 6.4374 6.8189 6.8189 7.3651 7.3651 8.2215 8.2215 8.2946 8.2946 8.4088 8.4088 9.1774 9.1774 9.3983 9.3983 11.9892 11.9892 12.8829 12.8829 16.0630 16.0630 16.2712 16.2712 17.3216 17.3216 k = 0.3077 0.1776-0.0000 ( 3199 PWs) bands (ev): -13.7111 -13.7111 -11.7069 -11.7069 -10.8949 -10.8949 -10.1730 -10.1730 -9.5054 -9.5054 -9.4974 -9.4974 -3.2121 -3.2121 -0.8039 -0.8039 0.9184 0.9184 1.3965 1.3965 1.6462 1.6462 2.0449 2.0449 2.9854 2.9854 4.0211 4.0211 4.0461 4.0461 4.9217 4.9217 4.9341 4.9341 5.0644 5.0644 5.4514 5.4514 5.5168 5.5168 6.1090 6.1090 6.4249 6.4249 6.8250 6.8250 7.3596 7.3596 8.2093 8.2093 8.2916 8.2916 8.4045 8.4045 9.1814 9.1814 9.4245 9.4245 12.0629 12.0629 12.8891 12.8891 16.0983 16.0983 16.2559 16.2559 17.2406 17.2406 k = 0.3205 0.1850-0.0000 ( 3201 PWs) bands (ev): -13.6737 -13.6737 -11.7691 -11.7691 -10.9043 -10.9043 -10.1578 -10.1578 -9.5109 -9.5109 -9.5000 -9.5000 -3.1447 -3.1447 -0.8047 -0.8047 0.9200 0.9200 1.4111 1.4111 1.6640 1.6640 2.0287 2.0287 2.9373 2.9373 3.9914 3.9914 4.0819 4.0819 4.9132 4.9132 4.9193 4.9193 5.0674 5.0674 5.4243 5.4243 5.5323 5.5323 6.1144 6.1144 6.4119 6.4119 6.8333 6.8333 7.3528 7.3528 8.1966 8.1966 8.2886 8.2886 8.4005 8.4005 9.1853 9.1853 9.4507 9.4507 12.1337 12.1337 12.8940 12.8940 16.1193 16.1193 16.2554 16.2554 17.1635 17.1635 k = 0.3333 0.1925-0.0000 ( 3197 PWs) bands (ev): -13.6356 -13.6356 -11.8308 -11.8308 -10.9132 -10.9132 -10.1428 -10.1428 -9.5169 -9.5169 -9.5024 -9.5024 -3.0787 -3.0787 -0.8060 -0.8060 0.9227 0.9227 1.4272 1.4272 1.6797 1.6797 2.0138 2.0138 2.8858 2.8858 3.9573 3.9573 4.1238 4.1238 4.8914 4.8914 4.9119 4.9119 5.0727 5.0727 5.3973 5.3973 5.5573 5.5573 6.1171 6.1171 6.3985 6.3985 6.8438 6.8438 7.3446 7.3446 8.1835 8.1835 8.2856 8.2856 8.3967 8.3967 9.1891 9.1891 9.4770 9.4770 12.2011 12.2011 12.8977 12.8977 16.1260 16.1260 16.2692 16.2692 17.0911 17.0911 k = 0.3462 0.1999-0.0000 ( 3201 PWs) bands (ev): -13.5969 -13.5969 -11.8917 -11.8917 -10.9216 -10.9216 -10.1280 -10.1280 -9.5232 -9.5232 -9.5048 -9.5048 -3.0147 -3.0147 -0.8076 -0.8076 0.9262 0.9262 1.4448 1.4448 1.6927 1.6927 2.0007 2.0007 2.8320 2.8320 3.9240 3.9240 4.1652 4.1652 4.8689 4.8689 4.9016 4.9016 5.0804 5.0804 5.3709 5.3709 5.5893 5.5893 6.1170 6.1170 6.3846 6.3846 6.8566 6.8566 7.3351 7.3351 8.1700 8.1700 8.2828 8.2828 8.3931 8.3931 9.1928 9.1928 9.5028 9.5028 12.2651 12.2651 12.9000 12.9000 16.1250 16.1250 16.2900 16.2900 17.0246 17.0246 k = 0.3590 0.2073-0.0000 ( 3201 PWs) bands (ev): -13.5579 -13.5579 -11.9515 -11.9515 -10.9295 -10.9295 -10.1135 -10.1135 -9.5297 -9.5297 -9.5071 -9.5071 -2.9531 -2.9531 -0.8096 -0.8096 0.9303 0.9303 1.4638 1.4638 1.7024 1.7024 1.9901 1.9901 2.7769 2.7769 3.8923 3.8923 4.2047 4.2047 4.8465 4.8465 4.8897 4.8897 5.0905 5.0905 5.3458 5.3458 5.6258 5.6258 6.1140 6.1140 6.3705 6.3705 6.8717 6.8717 7.3241 7.3241 8.1563 8.1563 8.2800 8.2800 8.3899 8.3899 9.1962 9.1962 9.5279 9.5279 12.3253 12.3253 12.9010 12.9010 16.1226 16.1226 16.3105 16.3105 16.9649 16.9649 k = 0.3718 0.2147-0.0000 ( 3199 PWs) bands (ev): -13.5188 -13.5188 -12.0099 -12.0099 -10.9368 -10.9368 -10.0994 -10.0994 -9.5364 -9.5364 -9.5093 -9.5093 -2.8944 -2.8944 -0.8119 -0.8119 0.9348 0.9348 1.4843 1.4843 1.7084 1.7084 1.9825 1.9825 2.7215 2.7215 3.8624 3.8624 4.2415 4.2415 4.8252 4.8252 4.8770 4.8770 5.1029 5.1029 5.3222 5.3222 5.6650 5.6650 6.1083 6.1083 6.3560 6.3560 6.8888 6.8888 7.3118 7.3118 8.1427 8.1427 8.2774 8.2774 8.3869 8.3869 9.1995 9.1995 9.5522 9.5522 12.3817 12.3817 12.9007 12.9007 16.1218 16.1218 16.3271 16.3271 16.9133 16.9133 k = 0.3846 0.2221-0.0000 ( 3195 PWs) bands (ev): -13.4799 -13.4799 -12.0663 -12.0663 -10.9435 -10.9435 -10.0860 -10.0860 -9.5432 -9.5432 -9.5113 -9.5113 -2.8391 -2.8391 -0.8145 -0.8145 0.9395 0.9395 1.5060 1.5060 1.7105 1.7105 1.9784 1.9784 2.6664 2.6664 3.8346 3.8346 4.2750 4.2750 4.8056 4.8056 4.8639 4.8639 5.1172 5.1172 5.3006 5.3006 5.7052 5.7052 6.1001 6.1001 6.3413 6.3413 6.9078 6.9078 7.2980 7.2980 8.1294 8.1294 8.2750 8.2750 8.3843 8.3843 9.2025 9.2025 9.5752 9.5752 12.4340 12.4340 12.8991 12.8991 16.1235 16.1235 16.3376 16.3376 16.8705 16.8705 k = 0.3974 0.2295-0.0000 ( 3191 PWs) bands (ev): -13.4418 -13.4418 -12.1204 -12.1204 -10.9495 -10.9495 -10.0732 -10.0732 -9.5499 -9.5499 -9.5133 -9.5133 -2.7878 -2.7878 -0.8172 -0.8172 0.9442 0.9442 1.5285 1.5285 1.7091 1.7091 1.9775 1.9775 2.6125 2.6125 3.8090 3.8090 4.3047 4.3047 4.7883 4.7883 4.8509 4.8509 5.1329 5.1329 5.2813 5.2813 5.7453 5.7453 6.0898 6.0898 6.3264 6.3264 6.9284 6.9284 7.2830 7.2830 8.1165 8.1165 8.2727 8.2727 8.3820 8.3820 9.2053 9.2053 9.5967 9.5967 12.4823 12.4823 12.8963 12.8963 16.1281 16.1281 16.3413 16.3413 16.8371 16.8371 k = 0.4103 0.2369-0.0000 ( 3197 PWs) bands (ev): -13.4049 -13.4049 -12.1716 -12.1716 -10.9550 -10.9550 -10.0614 -10.0614 -9.5564 -9.5564 -9.5150 -9.5150 -2.7409 -2.7409 -0.8200 -0.8200 0.9487 0.9487 1.5515 1.5515 1.7050 1.7050 1.9793 1.9793 2.5606 2.5606 3.7859 3.7859 4.3305 4.3305 4.7735 4.7735 4.8383 4.8383 5.1489 5.1489 5.2650 5.2650 5.7842 5.7842 6.0781 6.0781 6.3114 6.3114 6.9502 6.9502 7.2666 7.2666 8.1044 8.1044 8.2707 8.2707 8.3799 8.3799 9.2078 9.2078 9.6164 9.6164 12.5262 12.5262 12.8923 12.8923 16.1353 16.1353 16.3386 16.3386 16.8127 16.8127 k = 0.4231 0.2443-0.0000 ( 3195 PWs) bands (ev): -13.3698 -13.3698 -12.2191 -12.2191 -10.9597 -10.9597 -10.0506 -10.0506 -9.5625 -9.5625 -9.5165 -9.5165 -2.6990 -2.6990 -0.8227 -0.8227 0.9528 0.9528 1.5742 1.5742 1.6995 1.6995 1.9830 1.9830 2.5116 2.5116 3.7654 3.7654 4.3524 4.3524 4.7614 4.7614 4.8261 4.8261 5.1639 5.1639 5.2525 5.2525 5.8211 5.8211 6.0656 6.0656 6.2966 6.2966 6.9731 6.9731 7.2491 7.2491 8.0932 8.0932 8.2689 8.2689 8.3781 8.3781 9.2100 9.2100 9.6341 9.6341 12.5658 12.5658 12.8872 12.8872 16.1447 16.1447 16.3306 16.3306 16.7964 16.7964 k = 0.4359 0.2517-0.0000 ( 3199 PWs) bands (ev): -13.3374 -13.3374 -12.2621 -12.2621 -10.9637 -10.9637 -10.0411 -10.0411 -9.5680 -9.5680 -9.5179 -9.5179 -2.6626 -2.6626 -0.8253 -0.8253 0.9566 0.9566 1.5953 1.5953 1.6940 1.6940 1.9877 1.9877 2.4665 2.4665 3.7476 3.7476 4.3705 4.3705 4.7521 4.7521 4.8148 4.8148 5.1755 5.1755 5.2453 5.2453 5.8550 5.8550 6.0530 6.0530 6.2822 6.2822 6.9966 6.9966 7.2304 7.2304 8.0832 8.0832 8.2673 8.2673 8.3766 8.3766 9.2119 9.2119 9.6495 9.6495 12.6008 12.6008 12.8813 12.8813 16.1555 16.1555 16.3191 16.3191 16.7864 16.7864 k = 0.4487 0.2591-0.0000 ( 3201 PWs) bands (ev): -13.3086 -13.3086 -12.2996 -12.2996 -10.9670 -10.9670 -10.0330 -10.0330 -9.5728 -9.5728 -9.5190 -9.5190 -2.6321 -2.6321 -0.8276 -0.8276 0.9597 0.9597 1.6133 1.6133 1.6904 1.6904 1.9926 1.9926 2.4266 2.4266 3.7328 3.7328 4.3849 4.3849 4.7454 4.7454 4.8046 4.8046 5.1815 5.1815 5.2447 5.2447 5.8852 5.8852 6.0412 6.0412 6.2686 6.2686 7.0204 7.0204 7.2107 7.2107 8.0748 8.0748 8.2660 8.2660 8.3754 8.3754 9.2134 9.2134 9.6624 9.6624 12.6310 12.6310 12.8749 12.8749 16.1670 16.1670 16.3061 16.3061 16.7810 16.7810 k = 0.4615 0.2665-0.0000 ( 3195 PWs) bands (ev): -13.2845 -13.2845 -12.3305 -12.3305 -10.9696 -10.9696 -10.0265 -10.0265 -9.5768 -9.5768 -9.5198 -9.5198 -2.6079 -2.6079 -0.8295 -0.8295 0.9623 0.9623 1.6260 1.6260 1.6901 1.6901 1.9969 1.9969 2.3932 2.3932 3.7211 3.7211 4.3958 4.3958 4.7409 4.7409 4.7958 4.7958 5.1823 5.1823 5.2495 5.2495 5.9106 5.9106 6.0309 6.0309 6.2566 6.2566 7.0443 7.0443 7.1903 7.1903 8.0679 8.0679 8.2649 8.2649 8.3744 8.3744 9.2147 9.2147 9.6726 9.6726 12.6559 12.6559 12.8684 12.8684 16.1781 16.1781 16.2934 16.2934 16.7786 16.7786 k = 0.4744 0.2739-0.0000 ( 3201 PWs) bands (ev): -13.2662 -13.2662 -12.3538 -12.3538 -10.9715 -10.9715 -10.0217 -10.0217 -9.5797 -9.5797 -9.5205 -9.5205 -2.5903 -2.5903 -0.8310 -0.8310 0.9641 0.9641 1.6328 1.6328 1.6933 1.6933 2.0004 2.0004 2.3678 2.3678 3.7126 3.7126 4.4034 4.4034 4.7383 4.7383 4.7889 4.7889 5.1806 5.1806 5.2559 5.2559 5.9300 5.9300 6.0229 6.0229 6.2468 6.2468 7.0676 7.0676 7.1695 7.1695 8.0628 8.0628 8.2642 8.2642 8.3738 8.3738 9.2155 9.2155 9.6800 9.6800 12.6749 12.6749 12.8626 12.8626 16.1878 16.1878 16.2825 16.2825 16.7778 16.7778 k = 0.4872 0.2813-0.0000 ( 3201 PWs) bands (ev): -13.2547 -13.2547 -12.3682 -12.3682 -10.9726 -10.9726 -10.0188 -10.0188 -9.5816 -9.5816 -9.5209 -9.5209 -2.5797 -2.5797 -0.8319 -0.8319 0.9652 0.9652 1.6354 1.6354 1.6972 1.6972 2.0026 2.0026 2.3519 2.3519 3.7075 3.7075 4.4079 4.4079 4.7371 4.7371 4.7845 4.7845 5.1790 5.1790 5.2607 5.2607 5.9423 5.9423 6.0178 6.0178 6.2404 6.2404 7.0889 7.0889 7.1498 7.1498 8.0598 8.0598 8.2637 8.2637 8.3734 8.3734 9.2161 9.2161 9.6845 9.6845 12.6869 12.6869 12.8584 12.8584 16.1946 16.1946 16.2750 16.2750 16.7777 16.7777 k = 0.5000 0.2887-0.0000 ( 3202 PWs) bands (ev): -13.2507 -13.2507 -12.3731 -12.3731 -10.9730 -10.9730 -10.0179 -10.0179 -9.5822 -9.5822 -9.5210 -9.5210 -2.5761 -2.5761 -0.8322 -0.8322 0.9656 0.9656 1.6359 1.6359 1.6989 1.6989 2.0033 2.0033 2.3464 2.3464 3.7058 3.7058 4.4094 4.4094 4.7367 4.7367 4.7830 4.7830 5.1783 5.1783 5.2625 5.2625 5.9465 5.9465 6.0160 6.0160 6.2382 6.2382 7.1005 7.1005 7.1388 7.1388 8.0587 8.0587 8.2636 8.2636 8.3732 8.3732 9.2163 9.2163 9.6860 9.6860 12.6911 12.6911 12.8569 12.8569 16.1972 16.1972 16.2722 16.2722 16.7778 16.7778 k = 0.5000 0.2887-0.0000 ( 3202 PWs) bands (ev): -13.2507 -13.2507 -12.3731 -12.3731 -10.9730 -10.9730 -10.0179 -10.0179 -9.5822 -9.5822 -9.5210 -9.5210 -2.5761 -2.5761 -0.8322 -0.8322 0.9656 0.9656 1.6359 1.6359 1.6989 1.6989 2.0033 2.0033 2.3464 2.3464 3.7058 3.7058 4.4094 4.4094 4.7367 4.7367 4.7830 4.7830 5.1783 5.1783 5.2625 5.2625 5.9465 5.9465 6.0160 6.0160 6.2382 6.2382 7.1005 7.1005 7.1388 7.1388 8.0587 8.0587 8.2636 8.2636 8.3732 8.3732 9.2163 9.2163 9.6860 9.6860 12.6911 12.6911 12.8569 12.8569 16.1972 16.1972 16.2722 16.2722 16.7778 16.7778 k = 0.4928 0.3012-0.0000 ( 3202 PWs) bands (ev): -13.2498 -13.2498 -12.3736 -12.3736 -10.9743 -10.9743 -10.0175 -10.0175 -9.5858 -9.5858 -9.5171 -9.5171 -2.5740 -2.5740 -0.8340 -0.8340 0.9663 0.9663 1.6339 1.6339 1.6950 1.6950 2.0099 2.0099 2.3472 2.3472 3.7060 3.7060 4.3973 4.3973 4.7356 4.7356 4.7931 4.7931 5.1785 5.1785 5.2635 5.2635 5.9462 5.9462 6.0126 6.0126 6.2428 6.2428 7.1004 7.1004 7.1383 7.1383 8.0590 8.0590 8.2633 8.2633 8.3727 8.3727 9.2174 9.2174 9.6858 9.6858 12.6913 12.6913 12.8569 12.8569 16.1936 16.1936 16.2745 16.2745 16.7515 16.7515 k = 0.4855 0.3138-0.0000 ( 3206 PWs) bands (ev): -13.2471 -13.2471 -12.3753 -12.3753 -10.9781 -10.9781 -10.0164 -10.0164 -9.5948 -9.5948 -9.5073 -9.5073 -2.5678 -2.5678 -0.8396 -0.8396 0.9682 0.9682 1.6273 1.6273 1.6851 1.6851 2.0284 2.0284 2.3496 2.3496 3.7066 3.7066 4.3643 4.3643 4.7323 4.7323 4.8198 4.8198 5.1792 5.1792 5.2666 5.2666 5.9452 5.9452 6.0029 6.0029 6.2557 6.2557 7.1002 7.1002 7.1369 7.1369 8.0597 8.0597 8.2626 8.2626 8.3710 8.3710 9.2206 9.2206 9.6851 9.6851 12.6922 12.6922 12.8570 12.8570 16.1838 16.1838 16.2801 16.2801 16.6910 16.6910 k = 0.4783 0.3263-0.0000 ( 3194 PWs) bands (ev): -13.2426 -13.2426 -12.3781 -12.3781 -10.9844 -10.9844 -10.0147 -10.0147 -9.6062 -9.6062 -9.4946 -9.4946 -2.5574 -2.5574 -0.8489 -0.8489 0.9714 0.9714 1.6151 1.6151 1.6728 1.6728 2.0562 2.0562 2.3536 2.3536 3.7076 3.7076 4.3170 4.3170 4.7270 4.7270 4.8564 4.8564 5.1802 5.1802 5.2720 5.2720 5.9436 5.9436 5.9889 5.9889 6.2753 6.2753 7.0997 7.0997 7.1347 7.1347 8.0609 8.0609 8.2614 8.2614 8.3684 8.3684 9.2260 9.2260 9.6839 9.6839 12.6936 12.6936 12.8572 12.8572 16.1700 16.1700 16.2869 16.2869 16.6180 16.6180 k = 0.4710 0.3389-0.0000 ( 3200 PWs) bands (ev): -13.2363 -13.2363 -12.3821 -12.3821 -10.9929 -10.9929 -10.0122 -10.0122 -9.6186 -9.6186 -9.4805 -9.4805 -2.5429 -2.5429 -0.8619 -0.8619 0.9758 0.9758 1.5969 1.5969 1.6612 1.6612 2.0905 2.0905 2.3593 2.3593 3.7089 3.7089 4.2607 4.2607 4.7197 4.7197 4.8971 4.8971 5.1816 5.1816 5.2800 5.2800 5.9413 5.9413 5.9723 5.9723 6.2997 6.2997 7.0990 7.0990 7.1316 7.1316 8.0625 8.0625 8.2596 8.2596 8.3648 8.3648 9.2335 9.2335 9.6823 9.6823 12.6955 12.6955 12.8574 12.8574 16.1533 16.1533 16.2928 16.2928 16.5425 16.5425 k = 0.4638 0.3514-0.0000 ( 3196 PWs) bands (ev): -13.2281 -13.2281 -12.3874 -12.3874 -11.0036 -11.0036 -10.0091 -10.0091 -9.6314 -9.6314 -9.4659 -9.4659 -2.5244 -2.5244 -0.8785 -0.8785 0.9814 0.9814 1.5741 1.5741 1.6508 1.6508 2.1293 2.1293 2.3668 2.3668 3.7103 3.7103 4.1987 4.1987 4.7107 4.7107 4.9382 4.9382 5.1832 5.1832 5.2912 5.2912 5.9382 5.9382 5.9545 5.9545 6.3275 6.3275 7.0981 7.0981 7.1277 7.1277 8.0645 8.0645 8.2571 8.2571 8.3604 8.3604 9.2430 9.2430 9.6802 9.6802 12.6980 12.6980 12.8575 12.8575 16.1347 16.1347 16.2955 16.2955 16.4702 16.4702 k = 0.4565 0.3640-0.0000 ( 3196 PWs) bands (ev): -13.2182 -13.2182 -12.3939 -12.3939 -11.0161 -11.0161 -10.0052 -10.0052 -9.6441 -9.6441 -9.4510 -9.4510 -2.5019 -2.5019 -0.8986 -0.8986 0.9882 0.9882 1.5488 1.5488 1.6410 1.6410 2.1711 2.1711 2.3761 2.3761 3.7117 3.7117 4.1330 4.1330 4.7001 4.7001 4.9771 4.9771 5.1851 5.1851 5.3061 5.3061 5.9334 5.9334 5.9376 5.9376 6.3579 6.3579 7.0968 7.0968 7.1230 7.1230 8.0669 8.0669 8.2538 8.2538 8.3553 8.3553 9.2544 9.2544 9.6776 9.6776 12.7011 12.7011 12.8577 12.8577 16.1142 16.1142 16.2890 16.2890 16.4082 16.4082 k = 0.4493 0.3765-0.0000 ( 3196 PWs) bands (ev): -13.2065 -13.2065 -12.4019 -12.4019 -11.0302 -11.0302 -10.0007 -10.0007 -9.6567 -9.6567 -9.4363 -9.4363 -2.4756 -2.4756 -0.9221 -0.9221 0.9960 0.9960 1.5226 1.5226 1.6311 1.6311 2.2150 2.2150 2.3873 2.3873 3.7129 3.7129 4.0648 4.0648 4.6883 4.6883 5.0121 5.0121 5.1870 5.1870 5.3254 5.3254 5.9178 5.9178 5.9312 5.9312 6.3901 6.3901 7.0950 7.0950 7.1175 7.1175 8.0696 8.0696 8.2498 8.2498 8.3497 8.3497 9.2676 9.2676 9.6745 9.6745 12.7046 12.7046 12.8579 12.8579 16.0921 16.0921 16.2606 16.2606 16.3706 16.3706 k = 0.4420 0.3891-0.0000 ( 3196 PWs) bands (ev): -13.1930 -13.1930 -12.4113 -12.4113 -11.0455 -11.0455 -9.9956 -9.9956 -9.6691 -9.6691 -9.4220 -9.4220 -2.4454 -2.4454 -0.9490 -0.9490 1.0049 1.0049 1.4964 1.4964 1.6207 1.6207 2.2603 2.2603 2.4005 2.4005 3.7138 3.7138 3.9948 3.9948 4.6756 4.6756 5.0422 5.0422 5.1888 5.1888 5.3491 5.3491 5.9010 5.9010 5.9262 5.9262 6.4237 6.4237 7.0927 7.0927 7.1113 7.1113 8.0726 8.0726 8.2448 8.2448 8.3436 8.3436 9.2824 9.2824 9.6710 9.6710 12.7087 12.7087 12.8579 12.8579 16.0680 16.0680 16.2102 16.2102 16.3583 16.3583 k = 0.4348 0.4016-0.0000 ( 3176 PWs) bands (ev): -13.1777 -13.1777 -12.4224 -12.4224 -11.0617 -11.0617 -9.9897 -9.9897 -9.6813 -9.6813 -9.4081 -9.4081 -2.4116 -2.4116 -0.9792 -0.9792 1.0148 1.0148 1.4707 1.4707 1.6098 1.6098 2.3064 2.3064 2.4159 2.4159 3.7142 3.7142 3.9235 3.9235 4.6621 4.6621 5.0671 5.0671 5.1903 5.1903 5.3772 5.3772 5.8853 5.8853 5.9209 5.9209 6.4583 6.4583 7.0897 7.0897 7.1046 7.1046 8.0759 8.0759 8.2390 8.2390 8.3375 8.3375 9.2988 9.2988 9.6671 9.6671 12.7133 12.7133 12.8579 12.8579 16.0413 16.0413 16.1544 16.1544 16.3563 16.3563 k = 0.4275 0.4142-0.0000 ( 3176 PWs) bands (ev): -13.1606 -13.1606 -12.4352 -12.4352 -11.0785 -11.0785 -9.9833 -9.9833 -9.6933 -9.6933 -9.3948 -9.3948 -2.3743 -2.3743 -1.0124 -1.0124 1.0256 1.0256 1.4460 1.4460 1.5984 1.5984 2.3526 2.3526 2.4336 2.4336 3.7140 3.7140 3.8514 3.8514 4.6483 4.6483 5.0870 5.0870 5.1914 5.1914 5.4089 5.4089 5.8710 5.8710 5.9150 5.9150 6.4938 6.4938 7.0858 7.0858 7.0973 7.0973 8.0792 8.0792 8.2322 8.2322 8.3312 8.3312 9.3164 9.3164 9.6626 9.6626 12.7183 12.7183 12.8577 12.8577 16.0107 16.0107 16.1024 16.1024 16.3571 16.3571 k = 0.4203 0.4267-0.0000 ( 3180 PWs) bands (ev): -13.1418 -13.1418 -12.4497 -12.4497 -11.0955 -11.0955 -9.9762 -9.9762 -9.7052 -9.7052 -9.3823 -9.3823 -2.3336 -2.3336 -1.0487 -1.0487 1.0372 1.0372 1.4223 1.4223 1.5864 1.5864 2.3981 2.3981 2.4541 2.4541 3.7131 3.7131 3.7788 3.7788 4.6344 4.6344 5.1027 5.1027 5.1919 5.1919 5.4432 5.4432 5.8585 5.8585 5.9085 5.9085 6.5297 6.5297 7.0808 7.0808 7.0896 7.0896 8.0827 8.0827 8.2245 8.2245 8.3249 8.3249 9.3351 9.3351 9.6576 9.6576 12.7238 12.7238 12.8574 12.8574 15.9748 15.9748 16.0583 16.0583 16.3585 16.3585 k = 0.4130 0.4393-0.0000 ( 3180 PWs) bands (ev): -13.1213 -13.1213 -12.4662 -12.4662 -11.1123 -11.1123 -9.9685 -9.9685 -9.7170 -9.7170 -9.3706 -9.3706 -2.2897 -2.2897 -1.0878 -1.0878 1.0495 1.0495 1.3997 1.3997 1.5742 1.5742 2.4413 2.4413 2.4789 2.4789 3.7056 3.7056 3.7117 3.7117 4.6208 4.6208 5.1150 5.1150 5.1916 5.1916 5.4790 5.4790 5.8479 5.8479 5.9016 5.9016 6.5660 6.5660 7.0743 7.0743 7.0819 7.0819 8.0862 8.0862 8.2161 8.2161 8.3188 8.3188 9.3547 9.3547 9.6520 9.6520 12.7298 12.7298 12.8567 12.8567 15.9346 15.9346 16.0225 16.0225 16.3597 16.3597 k = 0.4058 0.4518-0.0000 ( 3180 PWs) bands (ev): -13.0990 -13.0990 -12.4848 -12.4848 -11.1286 -11.1286 -9.9602 -9.9602 -9.7287 -9.7287 -9.3598 -9.3598 -2.2428 -2.2428 -1.1296 -1.1296 1.0625 1.0625 1.3784 1.3784 1.5618 1.5618 2.4782 2.4782 2.5112 2.5112 3.6331 3.6331 3.7087 3.7087 4.6077 4.6077 5.1246 5.1246 5.1905 5.1905 5.5153 5.5153 5.8393 5.8393 5.8942 5.8942 6.6024 6.6024 7.0663 7.0663 7.0743 7.0743 8.0898 8.0898 8.2072 8.2072 8.3129 8.3129 9.3749 9.3749 9.6460 9.6460 12.7361 12.7361 12.8558 12.8558 15.8935 15.8935 15.9925 15.9925 16.3604 16.3604 k = 0.3986 0.4644-0.0000 ( 3176 PWs) bands (ev): -13.0750 -13.0750 -12.5053 -12.5053 -11.1442 -11.1442 -9.9513 -9.9513 -9.7403 -9.7403 -9.3500 -9.3500 -2.1932 -2.1932 -1.1740 -1.1740 1.0760 1.0760 1.3582 1.3582 1.5495 1.5495 2.5086 2.5086 2.5512 2.5512 3.5607 3.5607 3.7051 3.7051 4.5953 4.5953 5.1322 5.1322 5.1885 5.1885 5.5512 5.5512 5.8328 5.8328 5.8864 5.8864 6.6388 6.6388 7.0569 7.0569 7.0663 7.0663 8.0933 8.0933 8.1979 8.1979 8.3073 8.3073 9.3955 9.3955 9.6395 9.6395 12.7428 12.7428 12.8545 12.8545 15.8545 15.8545 15.9658 15.9658 16.3604 16.3604 k = 0.3913 0.4769-0.0000 ( 3178 PWs) bands (ev): -13.0493 -13.0493 -12.5281 -12.5281 -11.1587 -11.1587 -9.9419 -9.9419 -9.7520 -9.7520 -9.3413 -9.3413 -2.1410 -2.1410 -1.2208 -1.2208 1.0900 1.0900 1.3391 1.3391 1.5375 1.5375 2.5368 2.5368 2.5939 2.5939 3.4890 3.4890 3.7008 3.7008 4.5839 4.5839 5.1382 5.1382 5.1857 5.1857 5.5860 5.5860 5.8282 5.8282 5.8783 5.8783 6.6751 6.6751 7.0466 7.0466 7.0577 7.0577 8.0967 8.0967 8.1886 8.1886 8.3019 8.3019 9.4162 9.4162 9.6324 9.6324 12.7499 12.7499 12.8528 12.8528 15.8193 15.8193 15.9411 15.9411 16.3599 16.3599 k = 0.3841 0.4895-0.0000 ( 3178 PWs) bands (ev): -13.0219 -13.0219 -12.5530 -12.5530 -11.1719 -11.1719 -9.9320 -9.9320 -9.7637 -9.7637 -9.3336 -9.3336 -2.0865 -2.0865 -1.2698 -1.2698 1.1043 1.1043 1.3210 1.3210 1.5259 1.5259 2.5651 2.5651 2.6364 2.6364 3.4183 3.4183 3.6958 3.6958 4.5735 4.5735 5.1430 5.1430 5.1821 5.1821 5.6192 5.6192 5.8253 5.8253 5.8699 5.8699 6.7110 6.7110 7.0355 7.0355 7.0481 7.0481 8.0998 8.0998 8.1795 8.1795 8.2970 8.2970 9.4367 9.4367 9.6247 9.6247 12.7573 12.7573 12.8507 12.8507 15.7890 15.7890 15.9178 15.9178 16.3588 16.3588 k = 0.3768 0.5020-0.0000 ( 3182 PWs) bands (ev): -12.9928 -12.9928 -12.5801 -12.5801 -11.1837 -11.1837 -9.9215 -9.9215 -9.7755 -9.7755 -9.3269 -9.3269 -2.0300 -2.0300 -1.3210 -1.3210 1.1189 1.1189 1.3040 1.3040 1.5151 1.5151 2.5941 2.5941 2.6775 2.6775 3.3493 3.3493 3.6903 3.6903 4.5644 4.5644 5.1468 5.1468 5.1780 5.1780 5.6502 5.6502 5.8240 5.8240 5.8614 5.8614 6.7465 6.7465 7.0237 7.0237 7.0375 7.0375 8.1027 8.1027 8.1710 8.1710 8.2924 8.2924 9.4567 9.4567 9.6165 9.6165 12.7649 12.7649 12.8479 12.8479 15.7640 15.7640 15.8957 15.8957 16.3573 16.3573 k = 0.3696 0.5146-0.0000 ( 3176 PWs) bands (ev): -12.9621 -12.9621 -12.6093 -12.6093 -11.1938 -11.1938 -9.9106 -9.9106 -9.7875 -9.7875 -9.3214 -9.3214 -1.9717 -1.9717 -1.3742 -1.3742 1.1336 1.1336 1.2878 1.2878 1.5053 1.5053 2.6238 2.6238 2.7160 2.7160 3.2827 3.2827 3.6847 3.6847 4.5566 4.5566 5.1498 5.1498 5.1736 5.1736 5.6787 5.6787 5.8238 5.8238 5.8529 5.8529 6.7815 6.7815 7.0113 7.0113 7.0260 7.0260 8.1052 8.1052 8.1633 8.1633 8.2885 8.2885 9.4761 9.4761 9.6078 9.6078 12.7729 12.7729 12.8445 12.8445 15.7447 15.7447 15.8748 15.8748 16.3554 16.3554 k = 0.3623 0.5271-0.0000 ( 3178 PWs) bands (ev): -12.9298 -12.9298 -12.6406 -12.6406 -11.2021 -11.2021 -9.8992 -9.8992 -9.7995 -9.7995 -9.3169 -9.3169 -1.9120 -1.9120 -1.4292 -1.4292 1.1483 1.1483 1.2724 1.2724 1.4966 1.4966 2.6541 2.6541 2.7505 2.7505 3.2200 3.2200 3.6791 3.6791 4.5501 4.5501 5.1523 5.1523 5.1692 5.1692 5.7039 5.7039 5.8244 5.8244 5.8446 5.8446 6.8159 6.8159 6.9982 6.9982 7.0135 7.0135 8.1072 8.1072 8.1567 8.1567 8.2850 8.2850 9.4945 9.4945 9.5985 9.5985 12.7810 12.7810 12.8405 12.8405 15.7311 15.7311 15.8554 15.8554 16.3534 16.3534 k = 0.3551 0.5397-0.0000 ( 3170 PWs) bands (ev): -12.8959 -12.8959 -12.6738 -12.6738 -11.2086 -11.2086 -9.8874 -9.8874 -9.8118 -9.8118 -9.3135 -9.3135 -1.8512 -1.8512 -1.4859 -1.4859 1.1626 1.1626 1.2580 1.2580 1.4894 1.4894 2.6848 2.6848 2.7784 2.7784 3.1635 3.1635 3.6740 3.6740 4.5450 4.5450 5.1541 5.1541 5.1652 5.1652 5.7255 5.7255 5.8253 5.8253 5.8369 5.8369 6.8495 6.8495 6.9846 6.9846 7.0002 7.0002 8.1086 8.1086 8.1515 8.1515 8.2823 8.2823 9.5118 9.5118 9.5888 9.5888 12.7893 12.7893 12.8356 12.8356 15.7228 15.7228 15.8377 15.8377 16.3514 16.3514 k = 0.3478 0.5522-0.0000 ( 3162 PWs) bands (ev): -12.8604 -12.8604 -12.7090 -12.7090 -11.2132 -11.2132 -9.8753 -9.8753 -9.8242 -9.8242 -9.3111 -9.3111 -1.7896 -1.7896 -1.5443 -1.5443 1.1761 1.1761 1.2447 1.2447 1.4839 1.4839 2.7154 2.7154 2.7957 2.7957 3.1175 3.1175 3.6698 3.6698 4.5413 4.5413 5.1556 5.1556 5.1617 5.1617 5.7424 5.7424 5.8259 5.8259 5.8307 5.8307 6.8821 6.8821 6.9706 6.9706 6.9862 6.9862 8.1094 8.1094 8.1478 8.1478 8.2804 8.2804 9.5275 9.5275 9.5786 9.5786 12.7977 12.7977 12.8298 12.8298 15.7195 15.7195 15.8226 15.8226 16.3497 16.3497 k = 0.3406 0.5648-0.0000 ( 3164 PWs) bands (ev): -12.8235 -12.8235 -12.7458 -12.7458 -11.2159 -11.2159 -9.8627 -9.8627 -9.8369 -9.8369 -9.3097 -9.3097 -1.7277 -1.7277 -1.6041 -1.6041 1.1874 1.1874 1.2337 1.2337 1.4804 1.4804 2.7455 2.7455 2.7967 2.7967 3.0879 3.0879 3.6670 3.6670 4.5391 4.5391 5.1565 5.1565 5.1593 5.1593 5.7533 5.7533 5.8252 5.8252 5.8277 5.8277 6.9129 6.9129 6.9565 6.9565 6.9721 6.9721 8.1096 8.1096 8.1458 8.1458 8.2791 8.2791 9.5412 9.5412 9.5683 9.5683 12.8062 12.8062 12.8230 12.8230 15.7195 15.7195 15.8115 15.8115 16.3484 16.3484 k = 0.3333 0.5774-0.0000 ( 3168 PWs) bands (ev): -12.7891 -12.7891 -12.7802 -12.7802 -11.2169 -11.2169 -9.8506 -9.8506 -9.8490 -9.8490 -9.3093 -9.3093 -1.6698 -1.6698 -1.6612 -1.6612 1.1926 1.1926 1.2288 1.2288 1.4792 1.4792 2.7698 2.7698 2.7825 2.7825 3.0783 3.0783 3.6659 3.6659 4.5383 4.5383 5.1568 5.1568 5.1585 5.1585 5.7570 5.7570 5.8246 5.8246 5.8271 5.8271 6.9324 6.9324 6.9483 6.9483 6.9616 6.9616 8.1096 8.1096 8.1451 8.1451 8.2787 8.2787 9.5492 9.5492 9.5614 9.5614 12.8137 12.8137 12.8161 12.8161 15.7203 15.7203 15.8070 15.8070 16.3480 16.3480 k = 0.3333 0.5774-0.0000 ( 3168 PWs) bands (ev): -12.7891 -12.7891 -12.7802 -12.7802 -11.2169 -11.2169 -9.8506 -9.8506 -9.8490 -9.8490 -9.3093 -9.3093 -1.6698 -1.6698 -1.6612 -1.6612 1.1926 1.1926 1.2288 1.2288 1.4792 1.4792 2.7698 2.7698 2.7825 2.7825 3.0783 3.0783 3.6659 3.6659 4.5383 4.5383 5.1568 5.1568 5.1585 5.1585 5.7570 5.7570 5.8246 5.8246 5.8271 5.8271 6.9324 6.9324 6.9483 6.9483 6.9616 6.9616 8.1096 8.1096 8.1451 8.1451 8.2787 8.2787 9.5492 9.5492 9.5614 9.5614 12.8137 12.8137 12.8161 12.8161 15.7203 15.7203 15.8070 15.8070 16.3480 16.3480 k = 0.3259 0.5645-0.0000 ( 3164 PWs) bands (ev): -12.8258 -12.8258 -12.7435 -12.7435 -11.2159 -11.2159 -9.8633 -9.8633 -9.8363 -9.8363 -9.3097 -9.3097 -1.7297 -1.7297 -1.6023 -1.6023 1.1874 1.1874 1.2337 1.2337 1.4805 1.4805 2.7375 2.7375 2.8063 2.8063 3.0861 3.0861 3.6672 3.6672 4.5391 4.5391 5.1571 5.1571 5.1589 5.1589 5.7536 5.7536 5.8235 5.8235 5.8289 5.8289 6.9210 6.9210 6.9392 6.9392 6.9813 6.9813 8.1098 8.1098 8.1457 8.1457 8.2792 8.2792 9.5416 9.5416 9.5678 9.5678 12.8053 12.8053 12.8238 12.8238 15.7184 15.7184 15.8127 15.8127 16.3486 16.3486 k = 0.3185 0.5517-0.0000 ( 3164 PWs) bands (ev): -12.8680 -12.8680 -12.7011 -12.7011 -11.2132 -11.2132 -9.8770 -9.8770 -9.8226 -9.8226 -9.3111 -9.3111 -1.7949 -1.7949 -1.5400 -1.5400 1.1764 1.1764 1.2437 1.2437 1.4849 1.4849 2.6885 2.6885 2.8342 2.8342 3.1050 3.1050 3.6713 3.6713 4.5416 4.5416 5.1581 5.1581 5.1600 5.1600 5.7446 5.7446 5.8197 5.8197 5.8328 5.8328 6.9045 6.9045 6.9247 6.9247 7.0101 7.0101 8.1104 8.1104 8.1472 8.1472 8.2804 8.2804 9.5296 9.5296 9.5760 9.5760 12.7944 12.7944 12.8325 12.8325 15.7125 15.7125 15.8300 15.8300 16.3505 16.3505 k = 0.3111 0.5389-0.0000 ( 3168 PWs) bands (ev): -12.9113 -12.9113 -12.6572 -12.6572 -11.2088 -11.2088 -9.8910 -9.8910 -9.8086 -9.8086 -9.3132 -9.3132 -1.8613 -1.8613 -1.4788 -1.4788 1.1633 1.1633 1.2546 1.2546 1.4926 1.4926 2.6336 2.6336 2.8608 2.8608 3.1293 3.1293 3.6786 3.6786 4.5458 4.5458 5.1588 5.1588 5.1634 5.1634 5.7316 5.7316 5.8137 5.8137 5.8367 5.8367 6.8869 6.8869 6.9103 6.9103 7.0388 7.0388 8.1118 8.1118 8.1495 8.1495 8.2825 8.2825 9.5168 9.5168 9.5823 9.5823 12.7817 12.7817 12.8412 12.8412 15.7039 15.7039 15.8576 15.8576 16.3540 16.3540 k = 0.3037 0.5260-0.0000 ( 3184 PWs) bands (ev): -12.9557 -12.9557 -12.6118 -12.6118 -11.2027 -11.2027 -9.9052 -9.9052 -9.7945 -9.7945 -9.3161 -9.3161 -1.9289 -1.9289 -1.4191 -1.4191 1.1495 1.1495 1.2651 1.2651 1.5038 1.5038 2.5762 2.5762 2.8856 2.8856 3.1559 3.1559 3.6895 3.6895 4.5518 4.5518 5.1590 5.1590 5.1691 5.1691 5.7152 5.7152 5.8051 5.8051 5.8398 5.8398 6.8684 6.8684 6.8966 6.8966 7.0666 7.0666 8.1140 8.1140 8.1525 8.1525 8.2852 8.2852 9.5034 9.5034 9.5864 9.5864 12.7672 12.7672 12.8496 12.8496 15.6943 15.6943 15.8936 15.8936 16.3593 16.3593 k = 0.2963 0.5132-0.0000 ( 3190 PWs) bands (ev): -13.0008 -13.0008 -12.5650 -12.5650 -11.1952 -11.1952 -9.9197 -9.9197 -9.7802 -9.7802 -9.3196 -9.3196 -1.9975 -1.9975 -1.3613 -1.3613 1.1352 1.1352 1.2747 1.2747 1.5186 1.5186 2.5179 2.5179 2.9087 2.9087 3.1831 3.1831 3.7042 3.7042 4.5598 4.5598 5.1591 5.1591 5.1770 5.1770 5.6955 5.6955 5.7938 5.7938 5.8421 5.8421 6.8493 6.8493 6.8839 6.8839 7.0935 7.0935 8.1172 8.1172 8.1561 8.1561 8.2887 8.2887 9.4897 9.4897 9.5882 9.5882 12.7506 12.7506 12.8579 12.8579 15.6848 15.6848 15.9367 15.9367 16.3667 16.3667 k = 0.2889 0.5004-0.0000 ( 3198 PWs) bands (ev): -13.0466 -13.0466 -12.5168 -12.5168 -11.1862 -11.1862 -9.9345 -9.9345 -9.7657 -9.7657 -9.3238 -9.3238 -2.0671 -2.0671 -1.3057 -1.3057 1.1205 1.1205 1.2832 1.2832 1.5371 1.5371 2.4596 2.4596 2.9300 2.9300 3.2101 3.2101 3.7227 3.7227 4.5699 4.5699 5.1590 5.1590 5.1870 5.1870 5.6725 5.6725 5.7797 5.7797 5.8440 5.8440 6.8295 6.8295 6.8724 6.8724 7.1192 7.1192 8.1213 8.1213 8.1604 8.1604 8.2928 8.2928 9.4757 9.4757 9.5877 9.5877 12.7318 12.7318 12.8659 12.8659 15.6760 15.6760 15.9862 15.9862 16.3761 16.3761 k = 0.2815 0.4875-0.0000 ( 3194 PWs) bands (ev): -13.0927 -13.0927 -12.4674 -12.4674 -11.1760 -11.1760 -9.9495 -9.9495 -9.7512 -9.7512 -9.3284 -9.3284 -2.1376 -2.1376 -1.2527 -1.2527 1.1056 1.1056 1.2905 1.2905 1.5592 1.5592 2.4021 2.4021 2.9499 2.9499 3.2362 3.2362 3.7450 3.7450 4.5822 4.5822 5.1587 5.1587 5.1993 5.1993 5.6461 5.6461 5.7626 5.7626 5.8457 5.8457 6.8090 6.8090 6.8624 6.8624 7.1439 7.1439 8.1263 8.1263 8.1653 8.1653 8.2975 8.2975 9.4616 9.4616 9.5849 9.5849 12.7105 12.7105 12.8735 12.8735 15.6684 15.6684 16.0416 16.0416 16.3876 16.3876 k = 0.2741 0.4747-0.0000 ( 3198 PWs) bands (ev): -13.1392 -13.1392 -12.4167 -12.4167 -11.1646 -11.1646 -9.9647 -9.9647 -9.7367 -9.7367 -9.3336 -9.3336 -2.2089 -2.2089 -1.2025 -1.2025 1.0906 1.0906 1.2966 1.2966 1.5845 1.5845 2.3455 2.3455 2.9686 2.9686 3.2610 3.2610 3.7707 3.7707 4.5968 4.5968 5.1579 5.1579 5.2138 5.2138 5.6164 5.6164 5.7425 5.7425 5.8477 5.8477 6.7878 6.7878 6.8537 6.8537 7.1674 7.1674 8.1321 8.1321 8.1708 8.1708 8.3027 8.3027 9.4473 9.4473 9.5797 9.5797 12.6865 12.6865 12.8807 12.8807 15.6622 15.6622 16.1022 16.1022 16.4012 16.4012 k = 0.2667 0.4619-0.0000 ( 3198 PWs) bands (ev): -13.1857 -13.1857 -12.3648 -12.3648 -11.1522 -11.1522 -9.9802 -9.9802 -9.7221 -9.7221 -9.3391 -9.3391 -2.2811 -2.2811 -1.1554 -1.1554 1.0754 1.0754 1.3018 1.3018 1.6128 1.6128 2.2902 2.2902 2.9867 2.9867 3.2844 3.2844 3.7998 3.7998 4.6140 4.6140 5.1566 5.1566 5.2302 5.2302 5.5838 5.5838 5.7195 5.7195 5.8503 5.8503 6.7661 6.7661 6.8466 6.8466 7.1896 7.1896 8.1387 8.1387 8.1768 8.1768 8.3083 8.3083 9.4329 9.4329 9.5722 9.5722 12.6596 12.6596 12.8873 12.8873 15.6579 15.6579 16.1679 16.1679 16.4166 16.4166 k = 0.2593 0.4491-0.0000 ( 3190 PWs) bands (ev): -13.2321 -13.2321 -12.3117 -12.3117 -11.1388 -11.1388 -9.9958 -9.9958 -9.7076 -9.7076 -9.3449 -9.3449 -2.3540 -2.3540 -1.1114 -1.1114 1.0601 1.0601 1.3062 1.3062 1.6437 1.6437 2.2362 2.2362 3.0047 3.0047 3.3061 3.3061 3.8316 3.8316 4.6337 4.6337 5.1541 5.1541 5.2486 5.2486 5.5490 5.5490 5.6936 5.6936 5.8537 5.8537 6.7439 6.7439 6.8408 6.8408 7.2107 7.2107 8.1460 8.1460 8.1834 8.1834 8.3142 8.3142 9.4185 9.4185 9.5627 9.5627 12.6296 12.6296 12.8932 12.8932 15.6555 15.6555 16.2381 16.2381 16.4335 16.4335 k = 0.2519 0.4362-0.0000 ( 3194 PWs) bands (ev): -13.2784 -13.2784 -12.2576 -12.2576 -11.1245 -11.1245 -10.0117 -10.0117 -9.6933 -9.6933 -9.3511 -9.3511 -2.4276 -2.4276 -1.0708 -1.0708 1.0450 1.0450 1.3097 1.3097 1.6766 1.6766 2.1837 2.1837 3.0232 3.0232 3.3259 3.3259 3.8660 3.8660 4.6559 4.6559 5.1500 5.1500 5.2687 5.2687 5.5129 5.5129 5.6651 5.6651 5.8581 5.8581 6.7212 6.7212 6.8363 6.8363 7.2305 7.2305 8.1537 8.1537 8.1903 8.1903 8.3204 8.3204 9.4040 9.4040 9.5511 9.5511 12.5962 12.5962 12.8984 12.8984 15.6554 15.6554 16.3123 16.3123 16.4515 16.4515 k = 0.2444 0.4234-0.0000 ( 3186 PWs) bands (ev): -13.3244 -13.3244 -12.2025 -12.2025 -11.1096 -11.1096 -10.0276 -10.0276 -9.6790 -9.6790 -9.3574 -9.3574 -2.5018 -2.5018 -1.0337 -1.0337 1.0301 1.0301 1.3126 1.3126 1.7112 1.7112 2.1328 2.1328 3.0430 3.0430 3.3437 3.3437 3.9024 3.9024 4.6807 4.6807 5.1433 5.1433 5.2904 5.2904 5.4768 5.4768 5.6342 5.6342 5.8635 5.8635 6.6982 6.6982 6.8330 6.8330 7.2490 7.2490 8.1619 8.1619 8.1977 8.1977 8.3269 8.3269 9.3896 9.3896 9.5377 9.5377 12.5594 12.5594 12.9028 12.9028 15.6578 15.6578 16.3900 16.3900 16.4702 16.4702 k = 0.2370 0.4106-0.0000 ( 3184 PWs) bands (ev): -13.3700 -13.3700 -12.1465 -12.1465 -11.0940 -11.0940 -10.0437 -10.0437 -9.6650 -9.6650 -9.3638 -9.3638 -2.5766 -2.5766 -0.9999 -0.9999 1.0156 1.0156 1.3148 1.3148 1.7467 1.7467 2.0833 2.0833 3.0645 3.0645 3.3592 3.3592 3.9406 3.9406 4.7078 4.7078 5.1329 5.1329 5.3133 5.3133 5.4425 5.4425 5.6014 5.6014 5.8702 5.8702 6.6750 6.6750 6.8308 6.8308 7.2662 7.2662 8.1705 8.1705 8.2052 8.2052 8.3336 8.3336 9.3753 9.3753 9.5226 9.5226 12.5189 12.5189 12.9062 12.9062 15.6627 15.6627 16.4662 16.4662 16.4935 16.4935 k = 0.2296 0.3977-0.0000 ( 3178 PWs) bands (ev): -13.4150 -13.4150 -12.0897 -12.0897 -11.0778 -11.0778 -10.0599 -10.0599 -9.6512 -9.6512 -9.3704 -9.3704 -2.6518 -2.6518 -0.9696 -0.9696 1.0016 1.0016 1.3165 1.3165 1.7828 1.7828 2.0355 2.0355 3.0884 3.0884 3.3722 3.3722 3.9802 3.9802 4.7371 4.7371 5.1176 5.1176 5.3372 5.3372 5.4117 5.4117 5.5672 5.5672 5.8781 5.8781 6.6516 6.6516 6.8294 6.8294 7.2821 7.2821 8.1793 8.1793 8.2129 8.2129 8.3404 8.3404 9.3611 9.3611 9.5059 9.5059 12.4746 12.4746 12.9087 12.9087 15.6703 15.6703 16.4991 16.4991 16.5617 16.5617 k = 0.2222 0.3849-0.0000 ( 3178 PWs) bands (ev): -13.4593 -13.4593 -12.0321 -12.0321 -11.0612 -11.0612 -10.0761 -10.0761 -9.6377 -9.6377 -9.3770 -9.3770 -2.7274 -2.7274 -0.9425 -0.9425 0.9883 0.9883 1.3177 1.3177 1.8188 1.8188 1.9892 1.9892 3.1152 3.1152 3.3825 3.3825 4.0209 4.0209 4.7681 4.7681 5.0962 5.0962 5.3611 5.3611 5.3866 5.3866 5.5323 5.5323 5.8872 5.8872 6.6283 6.6283 6.8287 6.8287 7.2967 7.2967 8.1883 8.1883 8.2206 8.2206 8.3474 8.3474 9.3471 9.3471 9.4879 9.4879 12.4265 12.4265 12.9100 12.9100 15.6805 15.6805 16.5139 16.5139 16.6484 16.6484 k = 0.2148 0.3721-0.0000 ( 3180 PWs) bands (ev): -13.5029 -13.5029 -11.9738 -11.9738 -11.0443 -11.0443 -10.0923 -10.0923 -9.6245 -9.6245 -9.3836 -9.3836 -2.8032 -2.8032 -0.9187 -0.9187 0.9759 0.9759 1.3185 1.3185 1.8540 1.8540 1.9447 1.9447 3.1452 3.1452 3.3899 3.3899 4.0625 4.0625 4.8001 4.8001 5.0686 5.0686 5.3653 5.3653 5.3869 5.3869 5.4983 5.4983 5.8975 5.8975 6.6053 6.6053 6.8286 6.8286 7.3099 7.3099 8.1973 8.1973 8.2283 8.2283 8.3544 8.3544 9.3333 9.3333 9.4687 9.4687 12.3745 12.3745 12.9102 12.9102 15.6933 15.6933 16.5241 16.5241 16.7386 16.7386 k = 0.2074 0.3592-0.0000 ( 3182 PWs) bands (ev): -13.5457 -13.5457 -11.9149 -11.9149 -11.0271 -11.0271 -10.1086 -10.1086 -9.6116 -9.6116 -9.3902 -9.3902 -2.8793 -2.8793 -0.8979 -0.8979 0.9645 0.9645 1.3189 1.3189 1.8858 1.8858 1.9041 1.9041 3.1787 3.1787 3.3940 3.3940 4.1049 4.1049 4.8321 4.8321 5.0355 5.0355 5.3522 5.3522 5.4077 5.4077 5.4684 5.4684 5.9090 5.9090 6.5827 6.5827 6.8289 6.8289 7.3217 7.3217 8.2063 8.2063 8.2359 8.2359 8.3615 8.3615 9.3196 9.3196 9.4486 9.4486 12.3187 12.3187 12.9092 12.9092 15.7082 15.7082 16.5296 16.5296 16.8310 16.8310 k = 0.2000 0.3464-0.0000 ( 3190 PWs) bands (ev): -13.5875 -13.5875 -11.8556 -11.8556 -11.0096 -11.0096 -10.1247 -10.1247 -9.5992 -9.5992 -9.3967 -9.3967 -2.9554 -2.9554 -0.8799 -0.8799 0.9545 0.9545 1.3190 1.3190 1.8583 1.8583 1.9228 1.9228 3.2158 3.2158 3.3946 3.3946 4.1477 4.1477 4.8626 4.8626 4.9986 4.9986 5.3435 5.3435 5.4131 5.4131 5.4568 5.4568 5.9217 5.9217 6.5610 6.5610 6.8295 6.8295 7.3322 7.3322 8.2153 8.2153 8.2433 8.2433 8.3686 8.3686 9.3062 9.3062 9.4279 9.4279 12.2591 12.2591 12.9070 12.9070 15.7249 15.7249 16.5300 16.5300 16.9253 16.9253 k = 0.1926 0.3336-0.0000 ( 3192 PWs) bands (ev): -13.6284 -13.6284 -11.7959 -11.7959 -10.9921 -10.9921 -10.1409 -10.1409 -9.5872 -9.5872 -9.4030 -9.4030 -3.0315 -3.0315 -0.8647 -0.8647 0.9458 0.9458 1.3188 1.3188 1.8185 1.8185 1.9538 1.9538 3.2563 3.2563 3.3915 3.3915 4.1907 4.1907 4.8894 4.8894 4.9598 4.9598 5.3386 5.3386 5.3966 5.3966 5.4718 5.4718 5.9356 5.9356 6.5403 6.5403 6.8303 6.8303 7.3413 7.3413 8.2241 8.2241 8.2506 8.2506 8.3757 8.3757 9.2930 9.2930 9.4066 9.4066 12.1958 12.1958 12.9036 12.9036 15.7426 15.7426 16.5253 16.5253 17.0209 17.0209 k = 0.1852 0.3208-0.0000 ( 3198 PWs) bands (ev): -13.6682 -13.6682 -11.7360 -11.7360 -10.9745 -10.9745 -10.1568 -10.1568 -9.5758 -9.5758 -9.4092 -9.4092 -3.1074 -3.1074 -0.8519 -0.8519 0.9387 0.9387 1.3183 1.3183 1.7798 1.7798 1.9832 1.9832 3.2994 3.2994 3.3850 3.3850 4.2338 4.2338 4.9093 4.9093 4.9212 4.9212 5.3362 5.3362 5.3817 5.3817 5.4925 5.4925 5.9505 5.9505 6.5210 6.5210 6.8312 6.8312 7.3492 7.3492 8.2327 8.2327 8.2576 8.2576 8.3828 8.3828 9.2802 9.2802 9.3851 9.3851 12.1291 12.1291 12.8990 12.8990 15.7602 15.7602 16.5161 16.5161 17.1175 17.1175 k = 0.1778 0.3079-0.0000 ( 3190 PWs) bands (ev): -13.7068 -13.7068 -11.6760 -11.6760 -10.9570 -10.9570 -10.1727 -10.1727 -9.5648 -9.5648 -9.4152 -9.4152 -3.1829 -3.1829 -0.8415 -0.8415 0.9333 0.9333 1.3175 1.3175 1.7425 1.7425 2.0108 2.0108 3.3389 3.3389 3.3809 3.3809 4.2764 4.2764 4.8827 4.8827 4.9210 4.9210 5.3355 5.3355 5.3771 5.3771 5.5126 5.5126 5.9665 5.9665 6.5037 6.5037 6.8321 6.8321 7.3559 7.3559 8.2411 8.2411 8.2643 8.2643 8.3898 8.3898 9.2676 9.2676 9.3635 9.3635 12.0590 12.0590 12.8932 12.8932 15.7761 15.7761 16.5041 16.5041 17.2145 17.2145 k = 0.1704 0.2951-0.0000 ( 3186 PWs) bands (ev): -13.7443 -13.7443 -11.6160 -11.6160 -10.9395 -10.9395 -10.1883 -10.1883 -9.5545 -9.5545 -9.4211 -9.4211 -3.2580 -3.2580 -0.8331 -0.8331 0.9299 0.9299 1.3165 1.3165 1.7067 1.7067 2.0365 2.0365 3.3427 3.3427 3.4105 3.4105 4.3181 4.3181 4.8475 4.8475 4.9209 4.9209 5.3360 5.3360 5.3858 5.3858 5.5308 5.5308 5.9835 5.9835 6.4886 6.4886 6.8328 6.8328 7.3613 7.3613 8.2492 8.2492 8.2707 8.2707 8.3967 8.3967 9.2554 9.2554 9.3422 9.3422 11.9859 11.9859 12.8863 12.8863 15.7886 15.7886 16.4918 16.4918 17.3114 17.3114 k = 0.1630 0.2823-0.0000 ( 3190 PWs) bands (ev): -13.7805 -13.7805 -11.5561 -11.5561 -10.9222 -10.9222 -10.2037 -10.2037 -9.5447 -9.5447 -9.4267 -9.4267 -3.3323 -3.3323 -0.8265 -0.8265 0.9284 0.9284 1.3154 1.3154 1.6723 1.6723 2.0606 2.0606 3.3228 3.3228 3.4613 3.4613 4.3579 4.3579 4.8155 4.8155 4.9104 4.9104 5.3372 5.3372 5.4078 5.4078 5.5464 5.5464 6.0014 6.0014 6.4762 6.4762 6.8334 6.8334 7.3656 7.3656 8.2569 8.2569 8.2768 8.2768 8.4034 8.4034 9.2434 9.2434 9.3211 9.3211 11.9100 11.9100 12.8782 12.8782 15.7952 15.7952 16.4820 16.4820 17.4076 17.4076 k = 0.1556 0.2694-0.0000 ( 3188 PWs) bands (ev): -13.8154 -13.8154 -11.4966 -11.4966 -10.9051 -10.9051 -10.2189 -10.2189 -9.5356 -9.5356 -9.4320 -9.4320 -3.4058 -3.4058 -0.8217 -0.8217 0.9289 0.9289 1.3140 1.3140 1.6393 1.6393 2.0831 2.0831 3.2952 3.2952 3.5168 3.5168 4.3947 4.3947 4.7874 4.7874 4.8929 4.8929 5.3387 5.3387 5.4405 5.4405 5.5598 5.5598 6.0201 6.0201 6.4669 6.4669 6.8337 6.8337 7.3689 7.3689 8.2642 8.2642 8.2825 8.2825 8.4099 8.4099 9.2319 9.2319 9.3006 9.3006 11.8317 11.8317 12.8692 12.8692 15.7938 15.7938 16.4782 16.4782 17.5025 17.5025 k = 0.1481 0.2566-0.0000 ( 3196 PWs) bands (ev): -13.8490 -13.8490 -11.4375 -11.4375 -10.8883 -10.8883 -10.2337 -10.2337 -9.5272 -9.5272 -9.4371 -9.4371 -3.4782 -3.4782 -0.8184 -0.8184 0.9317 0.9317 1.3125 1.3125 1.6078 1.6078 2.1042 2.1042 3.2617 3.2617 3.5747 3.5747 4.4264 4.4264 4.7638 4.7638 4.8726 4.8726 5.3401 5.3401 5.4787 5.4787 5.5727 5.5727 6.0395 6.0395 6.4609 6.4609 6.8338 6.8338 7.3713 7.3713 8.2711 8.2711 8.2879 8.2879 8.4162 8.4162 9.2206 9.2206 9.2808 9.2808 11.7512 11.7512 12.8592 12.8592 15.7824 15.7824 16.4829 16.4829 17.5952 17.5952 k = 0.1407 0.2438-0.0000 ( 3192 PWs) bands (ev): -13.8812 -13.8812 -11.3790 -11.3790 -10.8719 -10.8719 -10.2482 -10.2482 -9.5195 -9.5195 -9.4420 -9.4420 -3.5493 -3.5493 -0.8163 -0.8163 0.9366 0.9366 1.3109 1.3109 1.5778 1.5778 2.1242 2.1242 3.2230 3.2230 3.6343 3.6343 4.4504 4.4504 4.7446 4.7446 4.8547 4.8547 5.3413 5.3413 5.5121 5.5121 5.5928 5.5928 6.0595 6.0595 6.4586 6.4586 6.8335 6.8335 7.3728 7.3728 8.2776 8.2776 8.2930 8.2930 8.4223 8.4223 9.2097 9.2097 9.2618 9.2618 11.6690 11.6690 12.8485 12.8485 15.7605 15.7605 16.4980 16.4980 17.6846 17.6846 k = 0.1333 0.2309-0.0000 ( 3196 PWs) bands (ev): -13.9119 -13.9119 -11.3214 -11.3214 -10.8558 -10.8558 -10.2624 -10.2624 -9.5125 -9.5125 -9.4465 -9.4465 -3.6189 -3.6189 -0.8154 -0.8154 0.9438 0.9438 1.3092 1.3092 1.5492 1.5492 2.1434 2.1434 3.1795 3.1795 3.6949 3.6949 4.4634 4.4634 4.7299 4.7299 4.8441 4.8441 5.3423 5.3423 5.5271 5.5271 5.6312 5.6312 6.0800 6.0800 6.4599 6.4599 6.8328 6.8328 7.3736 7.3736 8.2837 8.2837 8.2977 8.2977 8.4281 8.4281 9.1992 9.1992 9.2438 9.2438 11.5855 11.5855 12.8370 12.8370 15.7286 15.7286 16.5235 16.5235 17.7694 17.7694 k = 0.1259 0.2181-0.0000 ( 3192 PWs) bands (ev): -13.9412 -13.9412 -11.2648 -11.2648 -10.8402 -10.8402 -10.2761 -10.2761 -9.5062 -9.5062 -9.4508 -9.4508 -3.6867 -3.6867 -0.8154 -0.8154 0.9532 0.9532 1.3074 1.3074 1.5222 1.5222 2.1618 2.1618 3.1317 3.1317 3.7562 3.7562 4.4631 4.4631 4.7195 4.7195 4.8444 4.8444 5.3428 5.3428 5.5257 5.5257 5.6847 5.6847 6.1008 6.1008 6.4648 6.4648 6.8317 6.8317 7.3739 7.3739 8.2893 8.2893 8.3021 8.3021 8.4336 8.4336 9.1891 9.1891 9.2269 9.2269 11.5011 11.5011 12.8250 12.8250 15.6883 15.6883 16.5586 16.5586 17.8480 17.8480 k = 0.1185 0.2053-0.0000 ( 3190 PWs) bands (ev): -13.9690 -13.9690 -11.2095 -11.2095 -10.8250 -10.8250 -10.2894 -10.2894 -9.5007 -9.5007 -9.4547 -9.4547 -3.7525 -3.7525 -0.8163 -0.8163 0.9648 0.9648 1.3055 1.3055 1.4966 1.4966 2.1796 2.1796 3.0804 3.0804 3.8177 3.8177 4.4494 4.4494 4.7131 4.7131 4.8562 4.8562 5.3428 5.3428 5.5149 5.5149 5.7451 5.7451 6.1218 6.1218 6.4729 6.4729 6.8302 6.8302 7.3738 7.3738 8.2945 8.2945 8.3061 8.3061 8.4388 8.4388 9.1794 9.1794 9.2112 9.2112 11.4163 11.4163 12.8126 12.8126 15.6415 15.6415 16.6019 16.6019 17.9183 17.9183 k = 0.1111 0.1925-0.0000 ( 3190 PWs) bands (ev): -13.9952 -13.9952 -11.1556 -11.1556 -10.8104 -10.8104 -10.3023 -10.3023 -9.4959 -9.4959 -9.4584 -9.4584 -3.8162 -3.8162 -0.8178 -0.8178 0.9785 0.9785 1.3035 1.3035 1.4727 1.4727 2.1971 2.1971 3.0261 3.0261 3.8791 3.8791 4.4251 4.4251 4.7101 4.7101 4.8775 4.8775 5.3423 5.3423 5.4978 5.4978 5.8086 5.8086 6.1428 6.1428 6.4841 6.4841 6.8283 6.8283 7.3733 7.3733 8.2991 8.2991 8.3099 8.3099 8.4437 8.4437 9.1700 9.1700 9.1967 9.1967 11.3316 11.3316 12.7999 12.7999 15.5903 15.5903 16.6518 16.6518 17.9784 17.9784 k = 0.1037 0.1796-0.0000 ( 3192 PWs) bands (ev): -14.0199 -14.0199 -11.1033 -11.1033 -10.7964 -10.7964 -10.3146 -10.3146 -9.4919 -9.4919 -9.4617 -9.4617 -3.8773 -3.8773 -0.8198 -0.8198 0.9942 0.9942 1.3015 1.3015 1.4503 1.4503 2.2141 2.2141 2.9695 2.9695 3.9399 3.9399 4.3938 4.3938 4.7102 4.7102 4.9051 4.9051 5.3413 5.3413 5.4758 5.4758 5.8731 5.8731 6.1637 6.1637 6.4979 6.4979 6.8259 6.8259 7.3727 7.3727 8.3033 8.3033 8.3133 8.3133 8.4483 8.4483 9.1611 9.1611 9.1835 9.1835 11.2475 11.2475 12.7871 12.7871 15.5365 15.5365 16.7069 16.7069 18.0265 18.0265 k = 0.0963 0.1668-0.0000 ( 3196 PWs) bands (ev): -14.0429 -14.0429 -11.0530 -11.0530 -10.7829 -10.7829 -10.3265 -10.3265 -9.4887 -9.4887 -9.4648 -9.4648 -3.9356 -3.9356 -0.8222 -0.8222 1.0117 1.0117 1.2995 1.2995 1.4295 1.4295 2.2309 2.2309 2.9114 2.9114 3.9995 3.9995 4.3590 4.3590 4.7129 4.7129 4.9360 4.9360 5.3397 5.3397 5.4502 5.4502 5.9373 5.9373 6.1844 6.1844 6.5140 6.5140 6.8232 6.8232 7.3721 7.3721 8.3069 8.3069 8.3165 8.3165 8.4524 8.4524 9.1526 9.1526 9.1716 9.1716 11.1646 11.1646 12.7744 12.7744 15.4816 15.4816 16.7659 16.7659 18.0623 18.0623 k = 0.0889 0.1540-0.0000 ( 3187 PWs) bands (ev): -14.0644 -14.0644 -11.0048 -11.0048 -10.7702 -10.7702 -10.3377 -10.3377 -9.4861 -9.4861 -9.4675 -9.4675 -3.9910 -3.9910 -0.8249 -0.8249 1.0308 1.0308 1.2975 1.2975 1.4104 1.4104 2.2474 2.2474 2.8526 2.8526 4.0565 4.0565 4.3242 4.3242 4.7177 4.7177 4.9676 4.9676 5.3376 5.3376 5.4217 5.4217 5.9998 5.9998 6.2047 6.2047 6.5324 6.5324 6.8201 6.8201 7.3716 7.3716 8.3101 8.3101 8.3195 8.3195 8.4563 8.4563 9.1445 9.1445 9.1610 9.1610 11.0835 11.0835 12.7618 12.7618 15.4268 15.4268 16.8277 16.8277 18.0870 18.0870 k = 0.0815 0.1411-0.0000 ( 3191 PWs) bands (ev): -14.0842 -14.0842 -10.9591 -10.9591 -10.7581 -10.7581 -10.3483 -10.3483 -9.4843 -9.4843 -9.4699 -9.4699 -4.0431 -4.0431 -0.8278 -0.8278 1.0513 1.0513 1.2956 1.2956 1.3930 1.3930 2.2635 2.2635 2.7937 2.7937 4.1076 4.1076 4.2943 4.2943 4.7242 4.7242 4.9981 4.9981 5.3347 5.3347 5.3919 5.3919 6.0595 6.0595 6.2245 6.2245 6.5529 6.5529 6.8166 6.8166 7.3712 7.3712 8.3127 8.3127 8.3221 8.3221 8.4598 8.4598 9.1368 9.1368 9.1516 9.1516 11.0049 11.0049 12.7496 12.7496 15.3733 15.3733 16.8912 16.8912 18.1022 18.1022 k = 0.0741 0.1283-0.0000 ( 3195 PWs) bands (ev): -14.1023 -14.1023 -10.9162 -10.9162 -10.7467 -10.7467 -10.3583 -10.3583 -9.4832 -9.4832 -9.4719 -9.4719 -4.0917 -4.0917 -0.8308 -0.8308 1.0726 1.0726 1.2938 1.2938 1.3773 1.3773 2.2792 2.2792 2.7355 2.7355 4.1424 4.1424 4.2808 4.2808 4.7318 4.7318 5.0252 5.0252 5.3302 5.3302 5.3629 5.3629 6.1150 6.1150 6.2435 6.2435 6.5753 6.5753 6.8129 6.8129 7.3711 7.3711 8.3148 8.3148 8.3245 8.3245 8.4628 8.4628 9.1296 9.1296 9.1433 9.1433 10.9294 10.9294 12.7379 12.7379 15.3218 15.3218 16.9557 16.9557 18.1102 18.1102 k = 0.0667 0.1155-0.0000 ( 3195 PWs) bands (ev): -14.1188 -14.1188 -10.8762 -10.8762 -10.7361 -10.7361 -10.3676 -10.3676 -9.4828 -9.4828 -9.4735 -9.4735 -4.1365 -4.1365 -0.8337 -0.8337 1.0944 1.0944 1.2923 1.2923 1.3634 1.3634 2.2942 2.2942 2.6789 2.6789 4.1455 4.1455 4.3000 4.3000 4.7402 4.7402 5.0465 5.0465 5.3197 5.3197 5.3415 5.3415 6.1652 6.1652 6.2617 6.2617 6.5997 6.5997 6.8091 6.8091 7.3712 7.3712 8.3166 8.3166 8.3267 8.3267 8.4656 8.4656 9.1229 9.1229 9.1361 9.1361 10.8578 10.8578 12.7269 12.7269 15.2733 15.2733 17.0203 17.0203 18.1125 18.1125 k = 0.0593 0.1026-0.0000 ( 3195 PWs) bands (ev): -14.1336 -14.1336 -10.8396 -10.8396 -10.7262 -10.7262 -10.3761 -10.3761 -9.4829 -9.4829 -9.4748 -9.4748 -4.1773 -4.1773 -0.8366 -0.8366 1.1161 1.1161 1.2913 1.2913 1.3513 1.3513 2.3084 2.3084 2.6245 2.6245 4.1256 4.1256 4.3437 4.3437 4.7489 4.7489 5.0588 5.0588 5.3010 5.3010 5.3329 5.3329 6.2090 6.2090 6.2790 6.2790 6.6259 6.6259 6.8052 6.8052 7.3716 7.3716 8.3180 8.3180 8.3287 8.3287 8.4680 8.4680 9.1169 9.1169 9.1298 9.1298 10.7909 10.7909 12.7166 12.7166 15.2282 15.2282 17.0840 17.0840 18.1103 18.1103 k = 0.0519 0.0898-0.0000 ( 3199 PWs) bands (ev): -14.1467 -14.1467 -10.8066 -10.8066 -10.7171 -10.7171 -10.3838 -10.3838 -9.4834 -9.4834 -9.4759 -9.4759 -4.2139 -4.2139 -0.8393 -0.8393 1.1369 1.1369 1.2909 1.2909 1.3410 1.3410 2.3215 2.3215 2.5734 2.5734 4.0990 4.0990 4.3964 4.3964 4.7577 4.7577 5.0583 5.0583 5.2860 5.2860 5.3288 5.3288 6.2457 6.2457 6.2953 6.2953 6.6533 6.6533 6.8013 6.8013 7.3722 7.3722 8.3190 8.3190 8.3304 8.3304 8.4701 8.4701 9.1114 9.1114 9.1244 9.1244 10.7294 10.7294 12.7072 12.7072 15.1872 15.1872 17.1460 17.1460 18.1043 18.1043 k = 0.0444 0.0770-0.0000 ( 3199 PWs) bands (ev): -14.1580 -14.1580 -10.7776 -10.7776 -10.7088 -10.7088 -10.3907 -10.3907 -9.4842 -9.4842 -9.4767 -9.4767 -4.2461 -4.2461 -0.8417 -0.8417 1.1560 1.1560 1.2914 1.2914 1.3325 1.3325 2.3333 2.3333 2.5265 2.5265 4.0723 4.0723 4.4519 4.4519 4.7660 4.7660 5.0431 5.0431 5.2799 5.2799 5.3258 5.3258 6.2751 6.2751 6.3107 6.3107 6.6810 6.6810 6.7977 6.7977 7.3730 7.3730 8.3198 8.3198 8.3319 8.3319 8.4719 8.4719 9.1067 9.1067 9.1197 9.1197 10.6741 10.6741 12.6988 12.6988 15.1507 15.1507 17.2051 17.2051 18.0951 18.0951 k = 0.0370 0.0642-0.0000 ( 3199 PWs) bands (ev): -14.1677 -14.1677 -10.7531 -10.7531 -10.7011 -10.7011 -10.3967 -10.3967 -9.4850 -9.4850 -9.4774 -9.4774 -4.2737 -4.2737 -0.8439 -0.8439 1.1725 1.1725 1.2933 1.2933 1.3257 1.3257 2.3432 2.3432 2.4849 2.4849 4.0478 4.0478 4.5083 4.5083 4.7737 4.7737 5.0151 5.0151 5.2811 5.2811 5.3238 5.3238 6.2973 6.2973 6.3252 6.3252 6.7076 6.7076 6.7945 6.7945 7.3739 7.3739 8.3203 8.3203 8.3331 8.3331 8.4733 8.4733 9.1026 9.1026 9.1158 9.1158 10.6258 10.6258 12.6915 12.6915 15.1192 15.1192 17.2602 17.2602 18.0832 18.0832 k = 0.0296 0.0513-0.0000 ( 3195 PWs) bands (ev): -14.1756 -14.1756 -10.7335 -10.7335 -10.6939 -10.6939 -10.4016 -10.4016 -9.4858 -9.4858 -9.4781 -9.4781 -4.2964 -4.2964 -0.8457 -0.8457 1.1856 1.1856 1.2964 1.2964 1.3204 1.3204 2.3508 2.3508 2.4500 2.4500 4.0268 4.0268 4.5647 4.5647 4.7803 4.7803 4.9780 4.9780 5.2859 5.2859 5.3227 5.3227 6.3131 6.3131 6.3384 6.3384 6.7316 6.7316 6.7921 6.7921 7.3747 7.3747 8.3207 8.3207 8.3342 8.3342 8.4745 8.4745 9.0993 9.0993 9.1126 9.1126 10.5851 10.5851 12.6855 12.6855 15.0929 15.0929 17.3096 17.3096 18.0696 18.0696 k = 0.0222 0.0385-0.0000 ( 3195 PWs) bands (ev): -14.1817 -14.1817 -10.7191 -10.7191 -10.6871 -10.6871 -10.4056 -10.4056 -9.4864 -9.4864 -9.4786 -9.4786 -4.3143 -4.3143 -0.8472 -0.8472 1.1951 1.1951 1.3006 1.3006 1.3164 1.3164 2.3550 2.3550 2.4234 2.4234 4.0098 4.0098 4.6208 4.6208 4.7858 4.7858 4.9348 4.9348 5.2910 5.2910 5.3228 5.3228 6.3240 6.3240 6.3493 6.3493 6.7510 6.7510 6.7910 6.7910 7.3755 7.3755 8.3209 8.3209 8.3350 8.3350 8.4754 8.4754 9.0966 9.0966 9.1101 9.1101 10.5527 10.5527 12.6807 12.6807 15.0722 15.0722 17.3515 17.3515 18.0557 18.0557 k = 0.0148 0.0257-0.0000 ( 3199 PWs) bands (ev): -14.1861 -14.1861 -10.7097 -10.7097 -10.6811 -10.6811 -10.4085 -10.4085 -9.4869 -9.4869 -9.4791 -9.4791 -4.3272 -4.3272 -0.8482 -0.8482 1.2012 1.2012 1.3047 1.3047 1.3138 1.3138 2.3551 2.3551 2.4068 2.4068 3.9973 3.9973 4.6762 4.6762 4.7898 4.7898 4.8877 4.8877 5.2946 5.2946 5.3239 5.3239 6.3312 6.3312 6.3573 6.3573 6.7640 6.7640 6.7920 6.7920 7.3762 7.3762 8.3210 8.3210 8.3355 8.3355 8.4761 8.4761 9.0947 9.0947 9.1083 9.1083 10.5292 10.5292 12.6772 12.6772 15.0573 15.0573 17.3839 17.3839 18.0434 18.0434 k = 0.0074 0.0128-0.0000 ( 3199 PWs) bands (ev): -14.1887 -14.1887 -10.7047 -10.7047 -10.6769 -10.6769 -10.4102 -10.4102 -9.4872 -9.4872 -9.4793 -9.4793 -4.3349 -4.3349 -0.8489 -0.8489 1.2045 1.2045 1.3078 1.3078 1.3122 1.3122 2.3523 2.3523 2.3993 2.3993 3.9898 3.9898 4.7305 4.7305 4.7921 4.7921 4.8383 4.8383 5.2965 5.2965 5.3253 5.3253 6.3353 6.3353 6.3621 6.3621 6.7701 6.7701 6.7946 6.7946 7.3766 7.3766 8.3210 8.3210 8.3359 8.3359 8.4764 8.4764 9.0935 9.0935 9.1072 9.1072 10.5149 10.5149 12.6751 12.6751 15.0482 15.0482 17.4044 17.4044 18.0349 18.0349 k = 0.0000 0.0000 0.0000 ( 3199 PWs) bands (ev): -14.1896 -14.1896 -10.7032 -10.7032 -10.6754 -10.6754 -10.4108 -10.4108 -9.4874 -9.4874 -9.4794 -9.4794 -4.3375 -4.3375 -0.8491 -0.8491 1.2056 1.2056 1.3090 1.3090 1.3117 1.3117 2.3507 2.3507 2.3974 2.3974 3.9872 3.9872 4.7768 4.7768 4.7861 4.7861 4.8003 4.8003 5.2970 5.2970 5.3258 5.3258 6.3367 6.3367 6.3637 6.3637 6.7716 6.7716 6.7960 6.7960 7.3767 7.3767 8.3211 8.3211 8.3360 8.3360 8.4766 8.4766 9.0931 9.0931 9.1068 9.1068 10.5101 10.5101 12.6744 12.6744 15.0452 15.0452 17.4115 17.4115 18.0318 18.0318 k = 0.0000 0.0000 0.0000 ( 3199 PWs) bands (ev): -14.1896 -14.1896 -10.7032 -10.7032 -10.6754 -10.6754 -10.4108 -10.4108 -9.4874 -9.4874 -9.4794 -9.4794 -4.3375 -4.3375 -0.8491 -0.8491 1.2056 1.2056 1.3090 1.3090 1.3117 1.3117 2.3507 2.3507 2.3974 2.3974 3.9872 3.9872 4.7768 4.7768 4.7861 4.7861 4.8003 4.8003 5.2970 5.2970 5.3258 5.3258 6.3367 6.3367 6.3637 6.3637 6.7716 6.7716 6.7960 6.7960 7.3767 7.3767 8.3211 8.3211 8.3360 8.3360 8.4766 8.4766 9.0931 9.0931 9.1068 9.1068 10.5101 10.5101 12.6744 12.6744 15.0452 15.0452 17.4115 17.4115 18.0318 18.0318 k = 0.0000 0.0000 0.0149 ( 3199 PWs) bands (ev): -14.1893 -14.1893 -10.7030 -10.7030 -10.6752 -10.6752 -10.4116 -10.4116 -9.4875 -9.4875 -9.4795 -9.4795 -4.3373 -4.3373 -0.8471 -0.8471 1.2049 1.2049 1.3083 1.3083 1.3111 1.3111 2.3499 2.3499 2.3966 2.3966 3.9882 3.9882 4.7750 4.7750 4.7863 4.7863 4.8005 4.8005 5.2980 5.2980 5.3267 5.3267 6.3372 6.3372 6.3642 6.3642 6.7722 6.7722 6.7966 6.7966 7.3725 7.3725 8.3215 8.3215 8.3357 8.3357 8.4764 8.4764 9.0942 9.0942 9.1079 9.1079 10.5136 10.5136 12.6759 12.6759 15.0444 15.0444 17.4128 17.4128 18.0306 18.0306 k = 0.0000 0.0000 0.0298 ( 3199 PWs) bands (ev): -14.1883 -14.1883 -10.7026 -10.7026 -10.6747 -10.6747 -10.4142 -10.4142 -9.4879 -9.4879 -9.4799 -9.4799 -4.3366 -4.3366 -0.8411 -0.8411 1.2028 1.2028 1.3061 1.3061 1.3092 1.3092 2.3475 2.3475 2.3942 2.3942 3.9912 3.9912 4.7696 4.7696 4.7869 4.7869 4.8009 4.8009 5.3007 5.3007 5.3293 5.3293 6.3386 6.3386 6.3655 6.3655 6.7740 6.7740 6.7982 6.7982 7.3599 7.3599 8.3226 8.3226 8.3348 8.3348 8.4760 8.4760 9.0975 9.0975 9.1112 9.1112 10.5240 10.5240 12.6805 12.6805 15.0420 15.0420 17.4168 17.4168 18.0269 18.0269 k = 0.0000 0.0000 0.0447 ( 3199 PWs) bands (ev): -14.1867 -14.1867 -10.7018 -10.7018 -10.6740 -10.6740 -10.4184 -10.4184 -9.4885 -9.4885 -9.4806 -9.4806 -4.3355 -4.3355 -0.8312 -0.8312 1.1993 1.1993 1.3026 1.3026 1.3060 1.3060 2.3436 2.3436 2.3903 2.3903 3.9961 3.9961 4.7607 4.7607 4.7878 4.7878 4.8017 4.8017 5.3051 5.3051 5.3336 5.3336 6.3409 6.3409 6.3678 6.3678 6.7769 6.7769 6.8010 6.8010 7.3394 7.3394 8.3243 8.3243 8.3333 8.3333 8.4753 8.4753 9.1029 9.1029 9.1166 9.1166 10.5412 10.5412 12.6880 12.6880 15.0380 15.0380 17.4235 17.4235 18.0209 18.0209 k = 0.0000 0.0000 0.0596 ( 3205 PWs) bands (ev): -14.1845 -14.1845 -10.7007 -10.7007 -10.6729 -10.6729 -10.4242 -10.4242 -9.4895 -9.4895 -9.4815 -9.4815 -4.3340 -4.3340 -0.8174 -0.8174 1.1945 1.1945 1.2977 1.2977 1.3016 1.3016 2.3381 2.3381 2.3848 2.3848 4.0030 4.0030 4.7483 4.7483 4.7891 4.7891 4.8027 4.8027 5.3112 5.3112 5.3396 5.3396 6.3441 6.3441 6.3709 6.3709 6.7810 6.7810 6.8048 6.8048 7.3111 7.3111 8.3264 8.3264 8.3313 8.3313 8.4743 8.4743 9.1104 9.1104 9.1242 9.1242 10.5647 10.5647 12.6985 12.6985 15.0324 15.0324 17.4327 17.4327 18.0125 18.0125 k = 0.0000 0.0000 0.0745 ( 3199 PWs) bands (ev): -14.1816 -14.1816 -10.6994 -10.6994 -10.6715 -10.6715 -10.4317 -10.4317 -9.4906 -9.4906 -9.4827 -9.4827 -4.3320 -4.3320 -0.7997 -0.7997 1.1884 1.1884 1.2915 1.2915 1.2961 1.2961 2.3311 2.3311 2.3778 2.3778 4.0119 4.0119 4.7324 4.7324 4.7909 4.7909 4.8041 4.8041 5.3189 5.3189 5.3470 5.3470 6.3482 6.3482 6.3749 6.3749 6.7863 6.7863 6.8098 6.8098 7.2760 7.2760 8.3286 8.3286 8.3289 8.3289 8.4731 8.4731 9.1201 9.1201 9.1338 9.1338 10.5944 10.5944 12.7119 12.7119 15.0253 15.0253 17.4446 17.4446 18.0019 18.0019 k = 0.0000 0.0000 0.0894 ( 3187 PWs) bands (ev): -14.1781 -14.1781 -10.6977 -10.6977 -10.6699 -10.6699 -10.4406 -10.4406 -9.4920 -9.4920 -9.4841 -9.4841 -4.3296 -4.3296 -0.7783 -0.7783 1.1811 1.1811 1.2841 1.2841 1.2895 1.2895 2.3227 2.3227 2.3693 2.3693 4.0228 4.0228 4.7130 4.7130 4.7931 4.7931 4.8058 4.8058 5.3280 5.3280 5.3558 5.3558 6.3531 6.3531 6.3797 6.3797 6.7929 6.7929 6.8160 6.8160 7.2345 7.2345 8.3254 8.3254 8.3314 8.3314 8.4716 8.4716 9.1318 9.1318 9.1455 9.1455 10.6297 10.6297 12.7281 12.7281 15.0167 15.0167 17.4590 17.4590 17.9892 17.9892 k = 0.0000 0.0000 0.1043 ( 3199 PWs) bands (ev): -14.1741 -14.1741 -10.6958 -10.6958 -10.6679 -10.6679 -10.4511 -10.4511 -9.4937 -9.4937 -9.4858 -9.4858 -4.3269 -4.3269 -0.7532 -0.7532 1.1726 1.1726 1.2756 1.2756 1.2818 1.2818 2.3128 2.3128 2.3594 2.3594 4.0356 4.0356 4.6903 4.6903 4.7957 4.7957 4.8079 4.8079 5.3383 5.3383 5.3659 5.3659 6.3587 6.3587 6.3851 6.3851 6.8006 6.8006 6.8233 6.8233 7.1873 7.1873 8.3215 8.3215 8.3334 8.3334 8.4699 8.4699 9.1453 9.1453 9.1590 9.1590 10.6701 10.6701 12.7468 12.7468 15.0066 15.0066 17.4759 17.4759 17.9745 17.9745 k = 0.0000 0.0000 0.1192 ( 3199 PWs) bands (ev): -14.1695 -14.1695 -10.6937 -10.6937 -10.6657 -10.6657 -10.4629 -10.4629 -9.4955 -9.4955 -9.4877 -9.4877 -4.3237 -4.3237 -0.7246 -0.7246 1.1630 1.1630 1.2659 1.2659 1.2733 1.2733 2.3016 2.3016 2.3482 2.3482 4.0503 4.0503 4.6643 4.6643 4.7988 4.7988 4.8104 4.8104 5.3498 5.3498 5.3770 5.3770 6.3650 6.3650 6.3913 6.3913 6.8096 6.8096 6.8318 6.8318 7.1352 7.1352 8.3171 8.3171 8.3351 8.3351 8.4679 8.4679 9.1609 9.1609 9.1745 9.1745 10.7151 10.7151 12.7681 12.7681 14.9951 14.9951 17.4953 17.4953 17.9580 17.9580 k = 0.0000 0.0000 0.1341 ( 3205 PWs) bands (ev): -14.1643 -14.1643 -10.6912 -10.6912 -10.6633 -10.6633 -10.4760 -10.4760 -9.4976 -9.4976 -9.4899 -9.4899 -4.3202 -4.3202 -0.6925 -0.6925 1.1524 1.1524 1.2554 1.2554 1.2640 1.2640 2.2892 2.2892 2.3357 2.3357 4.0669 4.0669 4.6352 4.6352 4.8024 4.8024 4.8133 4.8133 5.3623 5.3623 5.3891 5.3891 6.3719 6.3719 6.3981 6.3981 6.8198 6.8198 6.8416 6.8416 7.0787 7.0787 8.3120 8.3120 8.3362 8.3362 8.4658 8.4658 9.1782 9.1782 9.1918 9.1918 10.7641 10.7641 12.7917 12.7917 14.9822 14.9822 17.5169 17.5169 17.9399 17.9399 k = 0.0000 0.0000 0.1490 ( 3205 PWs) bands (ev): -14.1587 -14.1587 -10.6886 -10.6886 -10.6606 -10.6606 -10.4903 -10.4903 -9.4999 -9.4999 -9.4922 -9.4922 -4.3164 -4.3164 -0.6572 -0.6572 1.1408 1.1408 1.2440 1.2440 1.2539 1.2539 2.2756 2.2756 2.3220 2.3220 4.0854 4.0854 4.6029 4.6029 4.8063 4.8063 4.8166 4.8166 5.3755 5.3755 5.4019 5.4019 6.3794 6.3794 6.4054 6.4054 6.8312 6.8312 6.8525 6.8525 7.0186 7.0186 8.3064 8.3064 8.3366 8.3366 8.4635 8.4635 9.1972 9.1972 9.2107 9.2107 10.8166 10.8166 12.8175 12.8175 14.9681 14.9681 17.5409 17.5409 17.9205 17.9205 k = 0.0000 0.0000 0.1639 ( 3216 PWs) bands (ev): -14.1526 -14.1526 -10.6857 -10.6857 -10.6577 -10.6577 -10.5057 -10.5057 -9.5024 -9.5024 -9.4947 -9.4947 -4.3123 -4.3123 -0.6188 -0.6188 1.1284 1.1284 1.2318 1.2318 1.2433 1.2433 2.2609 2.2609 2.3073 2.3073 4.1058 4.1058 4.5678 4.5678 4.8107 4.8107 4.8202 4.8202 5.3894 5.3894 5.4153 5.4153 6.3873 6.3873 6.4131 6.4131 6.8436 6.8436 6.8648 6.8648 6.9557 6.9557 8.3001 8.3001 8.3360 8.3360 8.4611 8.4611 9.2178 9.2178 9.2311 9.2311 10.8720 10.8720 12.8452 12.8452 14.9528 14.9528 17.5670 17.5670 17.8998 17.8998 k = 0.0000 0.0000 0.1788 ( 3216 PWs) bands (ev): -14.1461 -14.1461 -10.6826 -10.6826 -10.6546 -10.6546 -10.5221 -10.5221 -9.5050 -9.5050 -9.4974 -9.4974 -4.3079 -4.3079 -0.5774 -0.5774 1.1153 1.1153 1.2191 1.2191 1.2322 1.2322 2.2453 2.2453 2.2916 2.2916 4.1279 4.1279 4.5299 4.5299 4.8155 4.8155 4.8242 4.8242 5.4037 5.4037 5.4291 5.4291 6.3956 6.3956 6.4212 6.4212 6.8550 6.8550 6.8782 6.8782 6.8923 6.8923 8.2932 8.2932 8.3346 8.3346 8.4588 8.4588 9.2398 9.2398 9.2530 9.2530 10.9298 10.9298 12.8747 12.8747 14.9363 14.9363 17.5950 17.5950 17.8785 17.8785 k = 0.0000 0.0000 0.1937 ( 3216 PWs) bands (ev): -14.1392 -14.1392 -10.6794 -10.6794 -10.6513 -10.6513 -10.5393 -10.5393 -9.5078 -9.5078 -9.5003 -9.5003 -4.3032 -4.3032 -0.5334 -0.5334 1.1016 1.1016 1.2059 1.2059 1.2207 1.2207 2.2288 2.2288 2.2751 2.2751 4.1517 4.1517 4.4894 4.4894 4.8206 4.8206 4.8285 4.8285 5.4184 5.4184 5.4432 5.4432 6.4042 6.4042 6.4296 6.4296 6.8178 6.8178 6.8767 6.8767 6.8929 6.8929 8.2858 8.2858 8.3323 8.3323 8.4565 8.4565 9.2632 9.2632 9.2761 9.2761 10.9895 10.9895 12.9058 12.9058 14.9188 14.9188 17.6245 17.6245 17.8568 17.8568 k = 0.0000 0.0000 0.2086 ( 3210 PWs) bands (ev): -14.1319 -14.1319 -10.6760 -10.6760 -10.6479 -10.6479 -10.5572 -10.5572 -9.5108 -9.5108 -9.5033 -9.5033 -4.2984 -4.2984 -0.4868 -0.4868 1.0873 1.0873 1.1925 1.1925 1.2090 1.2090 2.2117 2.2117 2.2579 2.2579 4.1770 4.1770 4.4468 4.4468 4.8260 4.8260 4.8331 4.8331 5.4332 5.4332 5.4575 5.4575 6.4130 6.4130 6.4382 6.4382 6.7491 6.7491 6.8920 6.8920 6.9089 6.9089 8.2778 8.2778 8.3289 8.3289 8.4543 8.4543 9.2877 9.2877 9.3004 9.3004 11.0507 11.0507 12.9382 12.9382 14.9003 14.9003 17.6550 17.6550 17.8356 17.8356 k = 0.0000 0.0000 0.2235 ( 3186 PWs) bands (ev): -14.1244 -14.1244 -10.6725 -10.6725 -10.6443 -10.6443 -10.5757 -10.5757 -9.5138 -9.5138 -9.5064 -9.5064 -4.2934 -4.2934 -0.4381 -0.4381 1.0725 1.0725 1.1788 1.1788 1.1971 1.1971 2.1939 2.1939 2.2401 2.2401 4.2034 4.2034 4.4027 4.4027 4.8317 4.8317 4.8380 4.8380 5.4481 5.4481 5.4718 5.4718 6.4220 6.4220 6.4470 6.4470 6.6781 6.6781 6.9096 6.9096 6.9260 6.9260 8.2693 8.2693 8.3245 8.3245 8.4523 8.4523 9.3133 9.3133 9.3257 9.3257 11.1128 11.1128 12.9716 12.9716 14.8810 14.8810 17.6849 17.6849 17.8167 17.8167 k = 0.0000 0.0000 0.2384 ( 3186 PWs) bands (ev): -14.1166 -14.1166 -10.6688 -10.6688 -10.6406 -10.6406 -10.5947 -10.5947 -9.5170 -9.5170 -9.5096 -9.5096 -4.2882 -4.2882 -0.3873 -0.3873 1.0574 1.0574 1.1650 1.1650 1.1852 1.1852 2.1758 2.1758 2.2219 2.2219 4.2293 4.2293 4.3587 4.3587 4.8375 4.8375 4.8430 4.8430 5.4628 5.4628 5.4859 5.4859 6.4310 6.4310 6.4558 6.4558 6.6057 6.6057 6.9285 6.9285 6.9442 6.9442 8.2602 8.2602 8.3190 8.3190 8.4503 8.4503 9.3397 9.3397 9.3517 9.3517 11.1754 11.1754 13.0059 13.0059 14.8609 14.8609 17.7094 17.7094 17.8048 17.8048 k = 0.0000 0.0000 0.2533 ( 3180 PWs) bands (ev): -14.1086 -14.1086 -10.6651 -10.6651 -10.6369 -10.6369 -10.6139 -10.6139 -9.5202 -9.5202 -9.5128 -9.5128 -4.2829 -4.2829 -0.3348 -0.3348 1.0421 1.0421 1.1514 1.1514 1.1733 1.1733 2.1573 2.1573 2.2034 2.2034 4.2472 4.2472 4.3228 4.3228 4.8435 4.8435 4.8481 4.8481 5.4773 5.4773 5.4997 5.4997 6.4399 6.4399 6.4646 6.4646 6.5326 6.5326 6.9486 6.9486 6.9636 6.9636 8.2506 8.2506 8.3125 8.3125 8.4486 8.4486 9.3666 9.3666 9.3782 9.3782 11.2381 11.2381 13.0407 13.0407 14.8402 14.8402 17.7179 17.7179 17.8107 17.8107 k = 0.0000 0.0000 0.2682 ( 3180 PWs) bands (ev): -14.1005 -14.1005 -10.6614 -10.6614 -10.6333 -10.6333 -10.6331 -10.6331 -9.5234 -9.5234 -9.5162 -9.5162 -4.2776 -4.2776 -0.2809 -0.2809 1.0266 1.0266 1.1379 1.1379 1.1616 1.1616 2.1387 2.1387 2.1847 2.1847 4.2301 4.2301 4.3219 4.3219 4.8496 4.8496 4.8533 4.8533 5.4915 5.4915 5.5132 5.5132 6.4487 6.4487 6.4590 6.4590 6.4733 6.4733 6.9696 6.9696 6.9839 6.9839 8.2404 8.2404 8.3050 8.3050 8.4469 8.4469 9.3940 9.3940 9.4051 9.4051 11.3005 11.3005 13.0758 13.0758 14.8189 14.8189 17.7083 17.7083 17.8366 17.8366 k = 0.0000 0.0000 0.2831 ( 3180 PWs) bands (ev): -14.0924 -14.0924 -10.6576 -10.6576 -10.6528 -10.6528 -10.6292 -10.6292 -9.5267 -9.5267 -9.5195 -9.5195 -4.2722 -4.2722 -0.2259 -0.2259 1.0111 1.0111 1.1246 1.1246 1.1501 1.1501 2.1200 2.1200 2.1660 2.1660 4.1860 4.1860 4.3486 4.3486 4.8556 4.8556 4.8584 4.8584 5.5053 5.5053 5.5263 5.5263 6.3849 6.3849 6.4575 6.4575 6.4818 6.4818 6.9916 6.9916 7.0051 7.0051 8.2298 8.2298 8.2967 8.2967 8.4455 8.4455 9.4216 9.4216 9.4322 9.4322 11.3623 11.3623 13.1109 13.1109 14.7972 14.7972 17.6907 17.6907 17.8724 17.8724 k = 0.0000 0.0000 0.2980 ( 3168 PWs) bands (ev): -14.0842 -14.0842 -10.6721 -10.6721 -10.6538 -10.6538 -10.6254 -10.6254 -9.5300 -9.5300 -9.5229 -9.5229 -4.2669 -4.2669 -0.1701 -0.1701 0.9957 0.9957 1.1118 1.1118 1.1389 1.1389 2.1015 2.1015 2.1475 2.1475 4.1352 4.1352 4.3827 4.3827 4.8616 4.8616 4.8636 4.8636 5.5186 5.5186 5.5388 5.5388 6.3109 6.3109 6.4660 6.4660 6.4901 6.4901 7.0143 7.0143 7.0270 7.0270 8.2188 8.2188 8.2876 8.2876 8.4442 8.4442 9.4492 9.4492 9.4594 9.4594 11.4230 11.4230 13.1457 13.1457 14.7753 14.7753 17.6707 17.6707 17.9123 17.9123 k = 0.0000 0.0000 0.3129 ( 3156 PWs) bands (ev): -14.0761 -14.0761 -10.6911 -10.6911 -10.6500 -10.6500 -10.6216 -10.6216 -9.5333 -9.5333 -9.5262 -9.5262 -4.2616 -4.2616 -0.1140 -0.1140 0.9805 0.9805 1.0995 1.0995 1.1281 1.1281 2.0833 2.0833 2.1293 2.1293 4.0824 4.0824 4.4200 4.4200 4.8675 4.8675 4.8686 4.8686 5.5312 5.5312 5.5508 5.5508 6.2369 6.2369 6.4742 6.4742 6.4982 6.4982 7.0376 7.0376 7.0496 7.0496 8.2074 8.2074 8.2778 8.2778 8.4432 8.4432 9.4767 9.4767 9.4862 9.4862 11.4824 11.4824 13.1801 13.1801 14.7533 14.7533 17.6505 17.6505 17.9163 17.9163 k = 0.0000 0.0000 0.3279 ( 3162 PWs) bands (ev): -14.0681 -14.0681 -10.7097 -10.7097 -10.6464 -10.6464 -10.6179 -10.6179 -9.5365 -9.5365 -9.5295 -9.5295 -4.2564 -4.2564 -0.0578 -0.0578 0.9656 0.9656 1.0877 1.0877 1.1178 1.1178 2.0655 2.0655 2.1114 2.1114 4.0287 4.0287 4.4595 4.4595 4.8732 4.8732 4.8735 4.8735 5.5432 5.5432 5.5621 5.5621 6.1632 6.1632 6.4821 6.4821 6.5059 6.5059 7.0614 7.0614 7.0725 7.0725 8.1957 8.1957 8.2673 8.2673 8.4420 8.4420 9.5036 9.5036 9.5126 9.5126 11.5400 11.5400 13.2137 13.2137 14.7313 14.7313 17.6308 17.6308 17.8936 17.8936 k = 0.0000 0.0000 0.3428 ( 3174 PWs) bands (ev): -14.0603 -14.0603 -10.7277 -10.7277 -10.6428 -10.6428 -10.6142 -10.6142 -9.5397 -9.5397 -9.5327 -9.5327 -4.2514 -4.2514 -0.0022 -0.0022 0.9511 0.9511 1.0765 1.0765 1.1079 1.1079 2.0483 2.0483 2.0942 2.0942 3.9750 3.9750 4.5008 4.5008 4.8782 4.8782 4.8787 4.8787 5.5545 5.5545 5.5727 5.5727 6.0900 6.0900 6.4895 6.4895 6.5132 6.5132 7.0853 7.0853 7.0957 7.0957 8.1837 8.1837 8.2563 8.2563 8.4409 8.4409 9.5299 9.5299 9.5383 9.5383 11.5955 11.5955 13.2462 13.2462 14.7096 14.7096 17.6121 17.6121 17.8723 17.8723 k = 0.0000 0.0000 0.3577 ( 3174 PWs) bands (ev): -14.0527 -14.0527 -10.7450 -10.7450 -10.6393 -10.6393 -10.6107 -10.6107 -9.5427 -9.5427 -9.5358 -9.5358 -4.2466 -4.2466 0.0526 0.0526 0.9372 0.9372 1.0660 1.0660 1.0987 1.0987 2.0318 2.0318 2.0776 2.0776 3.9219 3.9219 4.5440 4.5440 4.8827 4.8827 4.8839 4.8839 5.5651 5.5651 5.5825 5.5825 6.0172 6.0172 6.4966 6.4966 6.5202 6.5202 7.1091 7.1091 7.1189 7.1189 8.1716 8.1716 8.2450 8.2450 8.4401 8.4401 9.5553 9.5553 9.5631 9.5631 11.6487 11.6487 13.2775 13.2775 14.6882 14.6882 17.5949 17.5949 17.8527 17.8527 k = 0.0000 0.0000 0.3726 ( 3174 PWs) bands (ev): -14.0455 -14.0455 -10.7615 -10.7615 -10.6360 -10.6360 -10.6073 -10.6073 -9.5456 -9.5456 -9.5388 -9.5388 -4.2419 -4.2419 0.1060 0.1060 0.9239 0.9239 1.0562 1.0562 1.0900 1.0900 2.0160 2.0160 2.0618 2.0618 3.8699 3.8699 4.5887 4.5887 4.8869 4.8869 4.8889 4.8889 5.5749 5.5749 5.5917 5.5917 5.9451 5.9451 6.5033 6.5033 6.5267 6.5267 7.1327 7.1327 7.1418 7.1418 8.1595 8.1595 8.2335 8.2335 8.4393 8.4393 9.5797 9.5797 9.5869 9.5869 11.6991 11.6991 13.3072 13.3072 14.6675 14.6675 17.5794 17.5794 17.8349 17.8349 k = 0.0000 0.0000 0.3875 ( 3168 PWs) bands (ev): -14.0386 -14.0386 -10.7770 -10.7770 -10.6328 -10.6328 -10.6041 -10.6041 -9.5484 -9.5484 -9.5416 -9.5416 -4.2375 -4.2375 0.1575 0.1575 0.9114 0.9114 1.0472 1.0472 1.0820 1.0820 2.0012 2.0012 2.0470 2.0470 3.8195 3.8195 4.6350 4.6350 4.8909 4.8909 4.8935 4.8935 5.5839 5.5839 5.6000 5.6000 5.8739 5.8739 6.5094 6.5094 6.5328 6.5328 7.1558 7.1558 7.1642 7.1642 8.1475 8.1475 8.2220 8.2220 8.4387 8.4387 9.6028 9.6028 9.6093 9.6093 11.7466 11.7466 13.3352 13.3352 14.6476 14.6476 17.5658 17.5658 17.8191 17.8191 k = 0.0000 0.0000 0.4024 ( 3168 PWs) bands (ev): -14.0322 -14.0322 -10.7915 -10.7915 -10.6299 -10.6299 -10.6012 -10.6012 -9.5509 -9.5509 -9.5443 -9.5443 -4.2335 -4.2335 0.2066 0.2066 0.8997 0.8997 1.0389 1.0389 1.0747 1.0747 1.9875 1.9875 2.0333 2.0333 3.7713 3.7713 4.6827 4.6827 4.8945 4.8945 4.8978 4.8978 5.5920 5.5920 5.6076 5.6076 5.8035 5.8035 6.5151 6.5151 6.5383 6.5383 7.1780 7.1780 7.1859 7.1859 8.1358 8.1358 8.2106 8.2106 8.4381 8.4381 9.6244 9.6244 9.6303 9.6303 11.7907 11.7907 13.3612 13.3612 14.6287 14.6287 17.5544 17.5544 17.8054 17.8054 k = 0.0000 0.0000 0.4173 ( 3156 PWs) bands (ev): -14.0262 -14.0262 -10.8047 -10.8047 -10.6272 -10.6272 -10.5984 -10.5984 -9.5533 -9.5533 -9.5467 -9.5467 -4.2297 -4.2297 0.2527 0.2527 0.8890 0.8890 1.0315 1.0315 1.0681 1.0681 1.9749 1.9749 2.0207 2.0207 3.7260 3.7260 4.7317 4.7317 4.8979 4.8979 4.9017 4.9017 5.5993 5.5993 5.6143 5.6143 5.7341 5.7341 6.5202 6.5202 6.5434 6.5434 7.1991 7.1991 7.2065 7.2065 8.1244 8.1244 8.1995 8.1995 8.4376 8.4376 9.6443 9.6443 9.6497 9.6497 11.8311 11.8311 13.3851 13.3851 14.6110 14.6110 17.5453 17.5453 17.7940 17.7940 k = 0.0000 0.0000 0.4322 ( 3162 PWs) bands (ev): -14.0209 -14.0209 -10.8167 -10.8167 -10.6247 -10.6247 -10.5959 -10.5959 -9.5555 -9.5555 -9.5489 -9.5489 -4.2263 -4.2263 0.2952 0.2952 0.8794 0.8794 1.0249 1.0249 1.0622 1.0622 1.9636 1.9636 2.0093 2.0093 3.6841 3.6841 4.7819 4.7819 4.9008 4.9008 4.9052 4.9052 5.6057 5.6057 5.6203 5.6203 5.6660 5.6660 6.5247 6.5247 6.5479 6.5479 7.2188 7.2188 7.2257 7.2257 8.1136 8.1136 8.1890 8.1890 8.4372 8.4372 9.6623 9.6623 9.6672 9.6672 11.8676 11.8676 13.4066 13.4066 14.5947 14.5947 17.5386 17.5386 17.7849 17.7849 k = 0.0000 0.0000 0.4471 ( 3162 PWs) bands (ev): -14.0161 -14.0161 -10.8273 -10.8273 -10.6226 -10.6226 -10.5937 -10.5937 -9.5574 -9.5574 -9.5508 -9.5508 -4.2233 -4.2233 0.3335 0.3335 0.8708 0.8708 1.0192 1.0192 1.0571 1.0571 1.9535 1.9535 1.9993 1.9993 3.6463 3.6463 4.8330 4.8330 4.9035 4.9035 4.9082 4.9082 5.5979 5.5979 5.6125 5.6125 5.6255 5.6255 6.5287 6.5287 6.5518 6.5518 7.2367 7.2367 7.2433 7.2433 8.1037 8.1037 8.1792 8.1792 8.4368 8.4368 9.6782 9.6782 9.6827 9.6827 11.8999 11.8999 13.4256 13.4256 14.5801 14.5801 17.5345 17.5345 17.7540 17.7540 k = 0.0000 0.0000 0.4620 ( 3162 PWs) bands (ev): -14.0120 -14.0120 -10.8364 -10.8364 -10.6207 -10.6207 -10.5918 -10.5918 -9.5590 -9.5590 -9.5525 -9.5525 -4.2208 -4.2208 0.3671 0.3671 0.8635 0.8635 1.0144 1.0144 1.0528 1.0528 1.9449 1.9449 1.9907 1.9907 3.6130 3.6130 4.8846 4.8846 4.9060 4.9060 4.9108 4.9108 5.5335 5.5335 5.6164 5.6164 5.6299 5.6299 6.5321 6.5321 6.5552 6.5552 7.2525 7.2525 7.2588 7.2588 8.0948 8.0948 8.1704 8.1704 8.4365 8.4365 9.6920 9.6920 9.6961 9.6961 11.9277 11.9277 13.4419 13.4419 14.5673 14.5673 17.5330 17.5330 17.7207 17.7207 k = 0.0000 0.0000 0.4769 ( 3162 PWs) bands (ev): -14.0085 -14.0085 -10.8439 -10.8439 -10.6191 -10.6191 -10.5902 -10.5902 -9.5604 -9.5604 -9.5539 -9.5539 -4.2186 -4.2186 0.3954 0.3954 0.8574 0.8574 1.0104 1.0104 1.0492 1.0492 1.9378 1.9378 1.9835 1.9835 3.5850 3.5850 4.9070 4.9070 4.9130 4.9130 4.9376 4.9376 5.4706 5.4706 5.6202 5.6202 5.6334 5.6334 6.5349 6.5349 6.5579 6.5579 7.2659 7.2659 7.2720 7.2720 8.0871 8.0871 8.1628 8.1628 8.4362 8.4362 9.7035 9.7035 9.7072 9.7072 11.9508 11.9508 13.4554 13.4554 14.5566 14.5566 17.5339 17.5339 17.6909 17.6909 k = 0.0000 0.0000 0.4918 ( 3156 PWs) bands (ev): -14.0058 -14.0058 -10.8498 -10.8498 -10.6179 -10.6179 -10.5890 -10.5890 -9.5615 -9.5615 -9.5550 -9.5550 -4.2169 -4.2169 0.4180 0.4180 0.8526 0.8526 1.0073 1.0073 1.0464 1.0464 1.9322 1.9322 1.9779 1.9779 3.5626 3.5626 4.9086 4.9086 4.9147 4.9147 4.9888 4.9888 5.4108 5.4108 5.6233 5.6233 5.6362 5.6362 6.5371 6.5371 6.5601 6.5601 7.2768 7.2768 7.2827 7.2827 8.0810 8.0810 8.1567 8.1567 8.4359 8.4359 9.7125 9.7125 9.7160 9.7160 11.9690 11.9690 13.4660 13.4660 14.5481 14.5481 17.5371 17.5371 17.6650 17.6650 k = 0.0000 0.0000 0.5067 ( 3156 PWs) bands (ev): -14.0039 -14.0039 -10.8541 -10.8541 -10.6170 -10.6170 -10.5881 -10.5881 -9.5622 -9.5622 -9.5558 -9.5558 -4.2157 -4.2157 0.4345 0.4345 0.8492 0.8492 1.0051 1.0051 1.0444 1.0444 1.9282 1.9282 1.9739 1.9739 3.5462 3.5462 4.9097 4.9097 4.9159 4.9159 5.0370 5.0370 5.3566 5.3566 5.6254 5.6254 5.6382 5.6382 6.5387 6.5387 6.5616 6.5616 7.2847 7.2847 7.2904 7.2904 8.0764 8.0764 8.1522 8.1522 8.4358 8.4358 9.7190 9.7190 9.7223 9.7223 11.9821 11.9821 13.4737 13.4737 14.5419 14.5419 17.5418 17.5418 17.6440 17.6440 k = 0.0000 0.0000 0.5216 ( 3150 PWs) bands (ev): -14.0027 -14.0027 -10.8566 -10.8566 -10.6165 -10.6165 -10.5876 -10.5876 -9.5627 -9.5627 -9.5563 -9.5563 -4.2150 -4.2150 0.4445 0.4445 0.8471 0.8471 1.0037 1.0037 1.0432 1.0432 1.9257 1.9257 1.9715 1.9715 3.5363 3.5363 4.9103 4.9103 4.9166 4.9166 5.0761 5.0761 5.3138 5.3138 5.6267 5.6267 5.6394 5.6394 6.5396 6.5396 6.5626 6.5626 7.2895 7.2895 7.2952 7.2952 8.0736 8.0736 8.1494 8.1494 8.4357 8.4357 9.7230 9.7230 9.7261 9.7261 11.9900 11.9900 13.4783 13.4783 14.5381 14.5381 17.5465 17.5465 17.6294 17.6294 k = 0.0000 0.0000 0.5365 ( 3150 PWs) bands (ev): -14.0023 -14.0023 -10.8575 -10.8575 -10.6163 -10.6163 -10.5874 -10.5874 -9.5629 -9.5629 -9.5565 -9.5565 -4.2147 -4.2147 0.4479 0.4479 0.8464 0.8464 1.0033 1.0033 1.0428 1.0428 1.9249 1.9249 1.9706 1.9706 3.5330 3.5330 4.9105 4.9105 4.9169 4.9169 5.0928 5.0928 5.2959 5.2959 5.6272 5.6272 5.6398 5.6398 6.5400 6.5400 6.5629 6.5629 7.2911 7.2911 7.2968 7.2968 8.0726 8.0726 8.1485 8.1485 8.4357 8.4357 9.7243 9.7243 9.7274 9.7274 11.9927 11.9927 13.4798 13.4798 14.5369 14.5369 17.5486 17.5486 17.6240 17.6240 k = 0.0000 0.0000 0.5365 ( 3150 PWs) bands (ev): -14.0023 -14.0023 -10.8575 -10.8575 -10.6163 -10.6163 -10.5874 -10.5874 -9.5629 -9.5629 -9.5565 -9.5565 -4.2147 -4.2147 0.4479 0.4479 0.8464 0.8464 1.0033 1.0033 1.0428 1.0428 1.9249 1.9249 1.9706 1.9706 3.5330 3.5330 4.9105 4.9105 4.9169 4.9169 5.0928 5.0928 5.2959 5.2959 5.6272 5.6272 5.6398 5.6398 6.5400 6.5400 6.5629 6.5629 7.2911 7.2911 7.2968 7.2968 8.0726 8.0726 8.1485 8.1485 8.4357 8.4357 9.7243 9.7243 9.7274 9.7274 11.9927 11.9927 13.4798 13.4798 14.5369 14.5369 17.5486 17.5486 17.6240 17.6240 k = 0.0128 0.0074 0.5365 ( 3154 PWs) bands (ev): -14.0015 -14.0015 -10.8570 -10.8570 -10.6177 -10.6177 -10.5888 -10.5888 -9.5628 -9.5628 -9.5565 -9.5565 -4.2124 -4.2124 0.4455 0.4455 0.8442 0.8442 1.0030 1.0030 1.0429 1.0429 1.9285 1.9285 1.9742 1.9742 3.5351 3.5351 4.9103 4.9103 4.9167 4.9167 5.0940 5.0940 5.2897 5.2897 5.6284 5.6284 5.6418 5.6418 6.5382 6.5382 6.5611 6.5611 7.2905 7.2905 7.2962 7.2962 8.0727 8.0727 8.1486 8.1486 8.4364 8.4364 9.7227 9.7227 9.7263 9.7263 11.9953 11.9953 13.4785 13.4785 14.5397 14.5397 17.5461 17.5461 17.6229 17.6229 k = 0.0256 0.0148 0.5365 ( 3160 PWs) bands (ev): -13.9989 -13.9989 -10.8554 -10.8554 -10.6223 -10.6223 -10.5926 -10.5926 -9.5628 -9.5628 -9.5564 -9.5564 -4.2052 -4.2052 0.4385 0.4385 0.8379 0.8379 1.0017 1.0017 1.0436 1.0436 1.9387 1.9387 1.9855 1.9855 3.5413 3.5413 4.9097 4.9097 4.9162 4.9162 5.0978 5.0978 5.2718 5.2718 5.6288 5.6288 5.6506 5.6506 6.5324 6.5324 6.5564 6.5564 7.2883 7.2883 7.2948 7.2948 8.0729 8.0729 8.1492 8.1492 8.4385 8.4385 9.7168 9.7168 9.7245 9.7245 12.0029 12.0029 13.4747 13.4747 14.5481 14.5481 17.5377 17.5377 17.6194 17.6194 k = 0.0385 0.0222 0.5365 ( 3160 PWs) bands (ev): -13.9947 -13.9947 -10.8527 -10.8527 -10.6310 -10.6310 -10.5980 -10.5980 -9.5629 -9.5629 -9.5563 -9.5563 -4.1934 -4.1934 0.4270 0.4270 0.8276 0.8276 0.9988 0.9988 1.0460 1.0460 1.9540 1.9540 2.0051 2.0051 3.5516 3.5516 4.9085 4.9085 4.9154 4.9154 5.1039 5.1039 5.2445 5.2445 5.6263 5.6263 5.6662 5.6662 6.5216 6.5216 6.5498 6.5498 7.2839 7.2839 7.2932 7.2932 8.0733 8.0733 8.1500 8.1500 8.4421 8.4421 9.7063 9.7063 9.7222 9.7222 12.0155 12.0155 13.4682 13.4682 14.5620 14.5620 17.5215 17.5215 17.6141 17.6141 k = 0.0513 0.0296 0.5365 ( 3160 PWs) bands (ev): -13.9887 -13.9887 -10.8490 -10.8490 -10.6445 -10.6445 -10.6039 -10.6039 -9.5632 -9.5632 -9.5560 -9.5560 -4.1769 -4.1769 0.4111 0.4111 0.8138 0.8138 0.9934 0.9934 1.0512 1.0512 1.9726 1.9726 2.0339 2.0339 3.5658 3.5658 4.9059 4.9059 4.9143 4.9143 5.1123 5.1123 5.2104 5.2104 5.6218 5.6218 5.6860 5.6860 6.5051 6.5051 6.5422 6.5422 7.2774 7.2774 7.2915 7.2915 8.0738 8.0738 8.1512 8.1512 8.4469 8.4469 9.6920 9.6920 9.7192 9.7192 12.0326 12.0326 13.4593 13.4593 14.5814 14.5814 17.4955 17.4955 17.6074 17.6074 k = 0.0641 0.0370 0.5365 ( 3164 PWs) bands (ev): -13.9811 -13.9811 -10.8443 -10.8443 -10.6631 -10.6631 -10.6099 -10.6099 -9.5638 -9.5638 -9.5555 -9.5555 -4.1560 -4.1560 0.3912 0.3912 0.7972 0.7972 0.9855 0.9855 1.0597 1.0597 1.9939 1.9939 2.0714 2.0714 3.5838 3.5838 4.9008 4.9008 4.9130 4.9130 5.1227 5.1227 5.1721 5.1721 5.6158 5.6158 5.7080 5.7080 6.4832 6.4832 6.5338 6.5338 7.2690 7.2690 7.2895 7.2895 8.0744 8.0744 8.1526 8.1526 8.4528 8.4528 9.6740 9.6740 9.7154 9.7154 12.0538 12.0538 13.4478 13.4478 14.6061 14.6061 17.4590 17.4590 17.5995 17.5995 k = 0.0769 0.0444 0.5365 ( 3164 PWs) bands (ev): -13.9718 -13.9718 -10.8386 -10.8386 -10.6865 -10.6865 -10.6161 -10.6161 -9.5648 -9.5648 -9.5548 -9.5548 -4.1306 -4.1306 0.3676 0.3676 0.7784 0.7784 0.9753 0.9753 1.0717 1.0717 2.0175 2.0175 2.1164 2.1164 3.6054 3.6054 4.8912 4.8912 4.9119 4.9119 5.1313 5.1313 5.1364 5.1364 5.6085 5.6085 5.7312 5.7312 6.4565 6.4565 6.5243 6.5243 7.2591 7.2591 7.2870 7.2870 8.0751 8.0751 8.1542 8.1542 8.4597 8.4597 9.6529 9.6529 9.7108 9.7108 12.0786 12.0786 13.4340 13.4340 14.6359 14.6359 17.4133 17.4133 17.5905 17.5905 k = 0.0897 0.0518 0.5365 ( 3164 PWs) bands (ev): -13.9608 -13.9608 -10.8319 -10.8319 -10.7142 -10.7142 -10.6226 -10.6226 -9.5663 -9.5663 -9.5539 -9.5539 -4.1010 -4.1010 0.3405 0.3405 0.7582 0.7582 0.9634 0.9634 1.0868 1.0868 2.0433 2.0433 2.1676 2.1676 3.6302 3.6302 4.8742 4.8742 4.9107 4.9107 5.0955 5.0955 5.1493 5.1493 5.6001 5.6001 5.7550 5.7550 6.4255 6.4255 6.5137 6.5137 7.2478 7.2478 7.2839 7.2839 8.0757 8.0757 8.1559 8.1559 8.4674 8.4674 9.6291 9.6291 9.7054 9.7054 12.1065 12.1065 13.4179 13.4179 14.6705 14.6705 17.3603 17.3603 17.5805 17.5805 k = 0.1026 0.0592 0.5365 ( 3168 PWs) bands (ev): -13.9482 -13.9482 -10.8244 -10.8244 -10.7458 -10.7458 -10.6295 -10.6295 -9.5683 -9.5683 -9.5530 -9.5530 -4.0674 -4.0674 0.3105 0.3105 0.7373 0.7373 0.9501 0.9501 1.1050 1.1050 2.0713 2.0713 2.2241 2.2241 3.6581 3.6581 4.8464 4.8464 4.9092 4.9092 5.0653 5.0653 5.1648 5.1648 5.5906 5.5906 5.7790 5.7790 6.3908 6.3908 6.5018 6.5018 7.2354 7.2354 7.2801 7.2801 8.0763 8.0763 8.1578 8.1578 8.4757 8.4757 9.6030 9.6030 9.6993 9.6993 12.1368 12.1368 13.3995 13.3995 14.7098 14.7098 17.3018 17.3018 17.5697 17.5697 k = 0.1154 0.0666 0.5365 ( 3172 PWs) bands (ev): -13.9339 -13.9339 -10.8162 -10.8162 -10.7810 -10.7810 -10.6367 -10.6367 -9.5709 -9.5709 -9.5521 -9.5521 -4.0299 -4.0299 0.2777 0.2777 0.7161 0.7161 0.9360 0.9360 1.1262 1.1262 2.1012 2.1012 2.2848 2.2848 3.6886 3.6886 4.8057 4.8057 4.9072 4.9072 5.0442 5.0442 5.1815 5.1815 5.5802 5.5802 5.8032 5.8032 6.3532 6.3532 6.4885 6.4885 7.2220 7.2220 7.2756 7.2756 8.0768 8.0768 8.1596 8.1596 8.4844 8.4844 9.5751 9.5751 9.6924 9.6924 12.1690 12.1690 13.3790 13.3790 14.7534 14.7534 17.2394 17.2394 17.5584 17.5584 k = 0.1282 0.0740 0.5365 ( 3180 PWs) bands (ev): -13.9180 -13.9180 -10.8210 -10.8210 -10.8058 -10.8058 -10.6441 -10.6441 -9.5739 -9.5739 -9.5512 -9.5512 -3.9887 -3.9887 0.2426 0.2426 0.6951 0.6951 0.9214 0.9214 1.1500 1.1500 2.1327 2.1327 2.3488 2.3488 3.7216 3.7216 4.7531 4.7531 4.9045 4.9045 5.0317 5.0317 5.1991 5.1991 5.5692 5.5692 5.8275 5.8275 6.3132 6.3132 6.4740 6.4740 7.2079 7.2079 7.2702 7.2702 8.0772 8.0772 8.1615 8.1615 8.4934 8.4934 9.5458 9.5458 9.6848 9.6848 12.2024 12.2024 13.3565 13.3565 14.8010 14.8010 17.1741 17.1741 17.5467 17.5467 k = 0.1410 0.0814 0.5365 ( 3184 PWs) bands (ev): -13.9005 -13.9005 -10.8622 -10.8622 -10.7969 -10.7969 -10.6516 -10.6516 -9.5776 -9.5776 -9.5505 -9.5505 -3.9442 -3.9442 0.2055 0.2055 0.6746 0.6746 0.9069 0.9069 1.1766 1.1766 2.1654 2.1654 2.4155 2.4155 3.7566 3.7566 4.6913 4.6913 4.9006 4.9006 5.0256 5.0256 5.2174 5.2174 5.5577 5.5577 5.8520 5.8520 6.2716 6.2716 6.4582 6.4582 7.1931 7.1931 7.2641 7.2641 8.0774 8.0774 8.1633 8.1633 8.5024 8.5024 9.5155 9.5155 9.6765 9.6765 12.2365 12.2365 13.3321 13.3321 14.8523 14.8523 17.1069 17.1069 17.5350 17.5350 k = 0.1538 0.0888 0.5365 ( 3190 PWs) bands (ev): -13.8814 -13.8814 -10.9068 -10.9068 -10.7871 -10.7871 -10.6587 -10.6587 -9.5820 -9.5820 -9.5499 -9.5499 -3.8965 -3.8965 0.1667 0.1667 0.6548 0.6548 0.8930 0.8930 1.2057 1.2057 2.1991 2.1991 2.4842 2.4842 3.7933 3.7933 4.6229 4.6229 4.8951 4.8951 5.0238 5.0238 5.2359 5.2359 5.5462 5.5462 5.8767 5.8767 6.2292 6.2292 6.4411 6.4411 7.1778 7.1778 7.2571 7.2571 8.0775 8.0775 8.1650 8.1650 8.5113 8.5113 9.4847 9.4847 9.6675 9.6675 12.2707 12.2707 13.3061 13.3061 14.9069 14.9069 17.0385 17.0385 17.5234 17.5234 k = 0.1667 0.0962 0.5365 ( 3202 PWs) bands (ev): -13.8608 -13.8608 -10.9540 -10.9540 -10.7775 -10.7775 -10.6650 -10.6650 -9.5870 -9.5870 -9.5494 -9.5494 -3.8459 -3.8459 0.1264 0.1264 0.6358 0.6358 0.8801 0.8801 1.2372 1.2372 2.2335 2.2335 2.5541 2.5541 3.8314 3.8314 4.5499 4.5499 4.8875 4.8875 5.0246 5.0246 5.2542 5.2542 5.5349 5.5349 5.9017 5.9017 6.1867 6.1867 6.4228 6.4228 7.1622 7.1622 7.2492 7.2492 8.0772 8.0772 8.1665 8.1665 8.5200 8.5200 9.4535 9.4535 9.6579 9.6579 12.3046 12.3046 13.2785 13.2785 14.9644 14.9644 16.9692 16.9692 17.5120 17.5120 k = 0.1795 0.1036 0.5365 ( 3200 PWs) bands (ev): -13.8385 -13.8385 -11.0035 -11.0035 -10.7689 -10.7689 -10.6698 -10.6698 -9.5928 -9.5928 -9.5492 -9.5492 -3.7927 -3.7927 0.0848 0.0848 0.6174 0.6174 0.8689 0.8689 1.2711 1.2711 2.2683 2.2683 2.6245 2.6245 3.8705 3.8705 4.4737 4.4737 4.8773 4.8773 5.0274 5.0274 5.2718 5.2718 5.5243 5.5243 5.9272 5.9272 6.1452 6.1452 6.4031 6.4031 7.1462 7.1462 7.2406 7.2406 8.0768 8.0768 8.1680 8.1680 8.5284 8.5284 9.4224 9.4224 9.6477 9.6477 12.3376 12.3376 13.2496 13.2496 15.0244 15.0244 16.8997 16.8997 17.5008 17.5008 k = 0.1923 0.1110 0.5365 ( 3196 PWs) bands (ev): -13.8148 -13.8148 -11.0552 -11.0552 -10.7624 -10.7624 -10.6717 -10.6717 -9.5994 -9.5994 -9.5491 -9.5491 -3.7372 -3.7372 0.0423 0.0423 0.5996 0.5996 0.8598 0.8598 1.3073 1.3073 2.3032 2.3032 2.6946 2.6946 3.9103 3.9103 4.3957 4.3957 4.8638 4.8638 5.0315 5.0315 5.2882 5.2882 5.5148 5.5148 5.9532 5.9532 6.1056 6.1056 6.3822 6.3822 7.1301 7.1301 7.2311 7.2311 8.0760 8.0760 8.1692 8.1692 8.5365 8.5365 9.3916 9.3916 9.6370 9.6370 12.3694 12.3694 13.2196 13.2196 15.0865 15.0865 16.8302 16.8302 17.4897 17.4897 k = 0.2051 0.1184 0.5365 ( 3196 PWs) bands (ev): -13.7896 -13.7896 -11.1086 -11.1086 -10.7591 -10.7591 -10.6697 -10.6697 -9.6068 -9.6068 -9.5492 -9.5492 -3.6795 -3.6795 -0.0010 -0.0010 0.5823 0.5823 0.8533 0.8533 1.3456 1.3456 2.3382 2.3382 2.7636 2.7636 3.9502 3.9502 4.3171 4.3171 4.8464 4.8464 5.0365 5.0365 5.3026 5.3026 5.5068 5.5068 5.9798 5.9798 6.0690 6.0690 6.3601 6.3601 7.1138 7.1138 7.2208 7.2208 8.0749 8.0749 8.1702 8.1702 8.5441 8.5441 9.3613 9.3613 9.6257 9.6257 12.3995 12.3995 13.1889 13.1889 15.1503 15.1503 16.7611 16.7611 17.4786 17.4786 k = 0.2179 0.1258 0.5365 ( 3198 PWs) bands (ev): -13.7630 -13.7630 -11.1636 -11.1636 -10.7597 -10.7597 -10.6631 -10.6631 -9.6150 -9.6150 -9.5496 -9.5496 -3.6201 -3.6201 -0.0450 -0.0450 0.5651 0.5651 0.8501 0.8501 1.3859 1.3859 2.3728 2.3728 2.8302 2.8302 3.9898 3.9898 4.2396 4.2396 4.8247 4.8247 5.0423 5.0423 5.3146 5.3146 5.5006 5.5006 6.0072 6.0072 6.0365 6.0365 6.3366 6.3366 7.0973 7.0973 7.2097 7.2097 8.0734 8.0734 8.1708 8.1708 8.5512 8.5512 9.3318 9.3318 9.6140 9.6140 12.4275 12.4275 13.1576 13.1576 15.2153 15.2153 16.6926 16.6926 17.4674 17.4674 k = 0.2308 0.1332 0.5365 ( 3202 PWs) bands (ev): -13.7349 -13.7349 -11.2200 -11.2200 -10.7636 -10.7636 -10.6525 -10.6525 -9.6241 -9.6241 -9.5501 -9.5501 -3.5592 -3.5592 -0.0894 -0.0894 0.5481 0.5481 0.8505 0.8505 1.4282 1.4282 2.4068 2.4068 2.8929 2.8929 4.0272 4.0272 4.1661 4.1661 4.7982 4.7982 5.0487 5.0487 5.3235 5.3235 5.4964 5.4964 6.0091 6.0091 6.0352 6.0352 6.3119 6.3119 7.0808 7.0808 7.1980 7.1980 8.0715 8.0715 8.1712 8.1712 8.5578 8.5578 9.3032 9.3032 9.6018 9.6018 12.4531 12.4531 13.1261 13.1261 15.2810 15.2810 16.6251 16.6251 17.4560 17.4560 k = 0.2436 0.1406 0.5365 ( 3198 PWs) bands (ev): -13.7055 -13.7055 -11.2776 -11.2776 -10.7698 -10.7698 -10.6387 -10.6387 -9.6341 -9.6341 -9.5507 -9.5507 -3.4971 -3.4971 -0.1341 -0.1341 0.5311 0.5311 0.8549 0.8549 1.4724 1.4724 2.4402 2.4402 2.9499 2.9499 4.0497 4.0497 4.1114 4.1114 4.7666 4.7666 5.0555 5.0555 5.3289 5.3289 5.4942 5.4942 5.9878 5.9878 6.0639 6.0639 6.2860 6.2860 7.0642 7.0642 7.1856 7.1856 8.0692 8.0692 8.1713 8.1713 8.5639 8.5639 9.2758 9.2758 9.5893 9.5893 12.4760 12.4760 13.0948 13.0948 15.3469 15.3469 16.5588 16.5588 17.4444 17.4444 k = 0.2564 0.1480 0.5365 ( 3194 PWs) bands (ev): -13.6749 -13.6749 -11.3360 -11.3360 -10.7774 -10.7774 -10.6227 -10.6227 -9.6449 -9.6449 -9.5515 -9.5515 -3.4341 -3.4341 -0.1790 -0.1790 0.5141 0.5141 0.8635 0.8635 1.5183 1.5183 2.4726 2.4726 2.9984 2.9984 4.0123 4.0123 4.1228 4.1228 4.7301 4.7301 5.0629 5.0629 5.3306 5.3306 5.4936 5.4936 5.9732 5.9732 6.0931 6.0931 6.2592 6.2592 7.0477 7.0477 7.1726 7.1726 8.0665 8.0665 8.1710 8.1710 8.5696 8.5696 9.2495 9.2495 9.5765 9.5765 12.4958 12.4958 13.0641 13.0641 15.4125 15.4125 16.4940 16.4940 17.4327 17.4327 k = 0.2692 0.1554 0.5365 ( 3194 PWs) bands (ev): -13.6430 -13.6430 -11.3951 -11.3951 -10.7858 -10.7858 -10.6052 -10.6052 -9.6566 -9.6566 -9.5525 -9.5525 -3.3706 -3.3706 -0.2238 -0.2238 0.4970 0.4970 0.8764 0.8764 1.5659 1.5659 2.5038 2.5038 3.0349 3.0349 3.9612 3.9612 4.1571 4.1571 4.6889 4.6889 5.0707 5.0707 5.3285 5.3285 5.4946 5.4946 5.9655 5.9655 6.1221 6.1221 6.2319 6.2319 7.0311 7.0311 7.1591 7.1591 8.0633 8.0633 8.1703 8.1703 8.5747 8.5747 9.2246 9.2246 9.5634 9.5634 12.5122 12.5122 13.0346 13.0346 15.4773 15.4773 16.4309 16.4309 17.4212 17.4212 k = 0.2821 0.1628 0.5365 ( 3202 PWs) bands (ev): -13.6099 -13.6099 -11.4547 -11.4547 -10.7946 -10.7946 -10.5864 -10.5864 -9.6691 -9.6691 -9.5535 -9.5535 -3.3068 -3.3068 -0.2685 -0.2685 0.4801 0.4801 0.8938 0.8938 1.6149 1.6149 2.5335 2.5335 3.0557 3.0557 3.9215 3.9215 4.1932 4.1932 4.6433 4.6433 5.0790 5.0790 5.3226 5.3226 5.4972 5.4972 5.9646 5.9646 6.1476 6.1476 6.2075 6.2075 7.0146 7.0146 7.1451 7.1451 8.0596 8.0596 8.1692 8.1692 8.5793 8.5793 9.2010 9.2010 9.5502 9.5502 12.5249 12.5249 13.0068 13.0068 15.5407 15.5407 16.3700 16.3700 17.4102 17.4102 k = 0.2949 0.1702 0.5365 ( 3206 PWs) bands (ev): -13.5759 -13.5759 -11.5145 -11.5145 -10.8036 -10.8036 -10.5667 -10.5667 -9.6825 -9.6825 -9.5546 -9.5546 -3.2431 -3.2431 -0.3129 -0.3129 0.4633 0.4633 0.9155 0.9155 1.6654 1.6654 2.5616 2.5616 3.0573 3.0573 3.8987 3.8987 4.2286 4.2286 4.5940 4.5940 5.0877 5.0877 5.3131 5.3131 5.5014 5.5014 5.9699 5.9699 6.1507 6.1507 6.2050 6.2050 6.9980 6.9980 7.1307 7.1307 8.0556 8.0556 8.1678 8.1678 8.5835 8.5835 9.1790 9.1790 9.5369 9.5369 12.5336 12.5336 12.9812 12.9812 15.6021 15.6021 16.3114 16.3114 17.4001 17.4001 k = 0.3077 0.1776 0.5365 ( 3198 PWs) bands (ev): -13.5408 -13.5408 -11.5743 -11.5743 -10.8124 -10.8124 -10.5463 -10.5463 -9.6966 -9.6966 -9.5558 -9.5558 -3.1799 -3.1799 -0.3568 -0.3568 0.4468 0.4468 0.9416 0.9416 1.7171 1.7171 2.5877 2.5877 3.0382 3.0382 3.8946 3.8946 4.2627 4.2627 4.5419 4.5419 5.0970 5.0970 5.3004 5.3004 5.5072 5.5072 5.9803 5.9803 6.1255 6.1255 6.2300 6.2300 6.9815 6.9815 7.1161 7.1161 8.0513 8.0513 8.1661 8.1661 8.5873 8.5873 9.1585 9.1585 9.5236 9.5236 12.5380 12.5380 12.9584 12.9584 15.6608 15.6608 16.2558 16.2558 17.3913 17.3913 k = 0.3205 0.1850 0.5365 ( 3198 PWs) bands (ev): -13.5050 -13.5050 -11.6338 -11.6338 -10.8211 -10.8211 -10.5254 -10.5254 -9.7114 -9.7114 -9.5571 -9.5571 -3.1175 -3.1175 -0.4001 -0.4001 0.4308 0.4308 0.9719 0.9719 1.7699 1.7699 2.6115 2.6115 2.9998 2.9998 3.9080 3.9080 4.2951 4.2951 4.4877 4.4877 5.1068 5.1068 5.2852 5.2852 5.5145 5.5145 5.9949 5.9949 6.0934 6.0934 6.2613 6.2613 6.9651 6.9651 7.1013 7.1013 8.0466 8.0466 8.1640 8.1640 8.5907 8.5907 9.1396 9.1396 9.5104 9.5104 12.5381 12.5381 12.9387 12.9387 15.7159 15.7159 16.2037 16.2037 17.3839 17.3839 k = 0.3333 0.1925 0.5365 ( 3202 PWs) bands (ev): -13.4685 -13.4685 -11.6928 -11.6928 -10.8295 -10.8295 -10.5042 -10.5042 -9.7268 -9.7268 -9.5583 -9.5583 -3.0562 -3.0562 -0.4426 -0.4426 0.4153 0.4153 1.0064 1.0064 1.8236 1.8236 2.6327 2.6327 2.9455 2.9455 3.9354 3.9354 4.3254 4.3254 4.4325 4.4325 5.1174 5.1174 5.2681 5.2681 5.5231 5.5231 6.0125 6.0125 6.0590 6.0590 6.2941 6.2941 6.9486 6.9486 7.0863 7.0863 8.0415 8.0415 8.1617 8.1617 8.5937 8.5937 9.1223 9.1223 9.4974 9.4974 12.5339 12.5339 12.9225 12.9225 15.7664 15.7664 16.1559 16.1559 17.3784 17.3784 k = 0.3462 0.1999 0.5365 ( 3202 PWs) bands (ev): -13.4315 -13.4315 -11.7510 -11.7510 -10.8376 -10.8376 -10.4827 -10.4827 -9.7427 -9.7427 -9.5596 -9.5596 -2.9965 -2.9965 -0.4840 -0.4840 0.4006 0.4006 1.0449 1.0449 1.8782 1.8782 2.6507 2.6507 2.8798 2.8798 3.9727 3.9727 4.3503 4.3503 4.3804 4.3804 5.1287 5.1287 5.2498 5.2498 5.5326 5.5326 6.0200 6.0200 6.0354 6.0354 6.3276 6.3276 6.9320 6.9320 7.0715 7.0715 8.0363 8.0363 8.1591 8.1591 8.5965 8.5965 9.1065 9.1065 9.4848 9.4848 12.5260 12.5260 12.9095 12.9095 15.8105 15.8105 16.1141 16.1141 17.3749 17.3749 k = 0.3590 0.2073 0.5365 ( 3202 PWs) bands (ev): -13.3943 -13.3943 -11.8081 -11.8081 -10.8452 -10.8452 -10.4612 -10.4612 -9.7590 -9.7590 -9.5608 -9.5608 -2.9388 -2.9388 -0.5241 -0.5241 0.3866 0.3866 1.0873 1.0873 1.9333 1.9333 2.6646 2.6646 2.8066 2.8066 4.0160 4.0160 4.3175 4.3175 4.3844 4.3844 5.1409 5.1409 5.2310 5.2310 5.5428 5.5428 5.9844 5.9844 6.0551 6.0551 6.3612 6.3612 6.9154 6.9154 7.0568 7.0568 8.0310 8.0310 8.1563 8.1563 8.5989 8.5989 9.0923 9.0923 9.4725 9.4725 12.5149 12.5149 12.8997 12.8997 15.8451 15.8451 16.0810 16.0810 17.3736 17.3736 k = 0.3718 0.2147 0.5365 ( 3202 PWs) bands (ev): -13.3571 -13.3571 -11.8637 -11.8637 -10.8522 -10.8522 -10.4398 -10.4398 -9.7756 -9.7756 -9.5620 -9.5620 -2.8836 -2.8836 -0.5627 -0.5627 0.3736 0.3736 1.1333 1.1333 1.9888 1.9888 2.6702 2.6702 2.7327 2.7327 4.0623 4.0623 4.2644 4.2644 4.4079 4.4079 5.1540 5.1540 5.2121 5.2121 5.5533 5.5533 5.9463 5.9463 6.0770 6.0770 6.3948 6.3948 6.8987 6.8987 7.0424 7.0424 8.0257 8.0257 8.1534 8.1534 8.6011 8.6011 9.0796 9.0796 9.4608 9.4608 12.5014 12.5014 12.8926 12.8926 15.8658 15.8658 16.0612 16.0612 17.3744 17.3744 k = 0.3846 0.2221 0.5365 ( 3208 PWs) bands (ev): -13.3203 -13.3203 -11.9174 -11.9174 -10.8588 -10.8588 -10.4188 -10.4188 -9.7922 -9.7922 -9.5632 -9.5632 -2.8313 -2.8313 -0.5993 -0.5993 0.3616 0.3616 1.1828 1.1828 2.0443 2.0443 2.6300 2.6300 2.6972 2.6972 4.1090 4.1090 4.2131 4.2131 4.4300 4.4300 5.1681 5.1681 5.1938 5.1938 5.5638 5.5638 5.9076 5.9076 6.0990 6.0990 6.4280 6.4280 6.8819 6.8819 7.0285 7.0285 8.0204 8.0204 8.1504 8.1504 8.6030 8.6030 9.0684 9.0684 9.4497 9.4497 12.4865 12.4865 12.8875 12.8875 15.8689 15.8689 16.0582 16.0582 17.3771 17.3771 k = 0.3974 0.2295 0.5365 ( 3214 PWs) bands (ev): -13.2842 -13.2842 -11.9688 -11.9688 -10.8647 -10.8647 -10.3984 -10.3984 -9.8087 -9.8087 -9.5642 -9.5642 -2.7824 -2.7824 -0.6338 -0.6338 0.3506 0.3506 1.2355 1.2355 2.0997 2.0997 2.5502 2.5502 2.6954 2.6954 4.1480 4.1480 4.1716 4.1716 4.4498 4.4498 5.1751 5.1751 5.1846 5.1846 5.5740 5.5740 5.8687 5.8687 6.1203 6.1203 6.4605 6.4605 6.8649 6.8649 7.0153 7.0153 8.0153 8.0153 8.1475 8.1475 8.6046 8.6046 9.0585 9.0585 9.4394 9.4394 12.4708 12.4708 12.8842 12.8842 15.8573 15.8573 16.0692 16.0692 17.3816 17.3816 k = 0.4103 0.2369 0.5365 ( 3214 PWs) bands (ev): -13.2493 -13.2493 -12.0172 -12.0172 -10.8701 -10.8701 -10.3788 -10.3788 -9.8247 -9.8247 -9.5652 -9.5652 -2.7374 -2.7374 -0.6656 -0.6656 0.3408 0.3408 1.2910 1.2910 2.1544 2.1544 2.4661 2.4661 2.6929 2.6929 4.1161 4.1161 4.2024 4.2024 4.4674 4.4674 5.1594 5.1594 5.2004 5.2004 5.5838 5.5838 5.8300 5.8300 6.1406 6.1406 6.4923 6.4923 6.8476 6.8476 7.0029 7.0029 8.0105 8.0105 8.1446 8.1446 8.6061 8.6061 9.0501 9.0501 9.4299 9.4299 12.4554 12.4554 12.8820 12.8820 15.8384 15.8384 16.0868 16.0868 17.3876 17.3876 k = 0.4231 0.2443 0.5365 ( 3214 PWs) bands (ev): -13.2164 -13.2164 -12.0621 -12.0621 -10.8747 -10.8747 -10.3605 -10.3605 -9.8400 -9.8400 -9.5661 -9.5661 -2.6970 -2.6970 -0.6945 -0.6945 0.3323 0.3323 1.3488 1.3488 2.2079 2.2079 2.3822 2.3822 2.6864 2.6864 4.0761 4.0761 4.2422 4.2422 4.4825 4.4825 5.1447 5.1447 5.2177 5.2177 5.5927 5.5927 5.7922 5.7922 6.1591 6.1591 6.5230 6.5230 6.8301 6.8301 6.9916 6.9916 8.0060 8.0060 8.1419 8.1419 8.6074 8.6074 9.0429 9.0429 9.4215 9.4215 12.4407 12.4407 12.8807 12.8807 15.8177 15.8177 16.1057 16.1057 17.3944 17.3944 k = 0.4359 0.2517 0.5365 ( 3202 PWs) bands (ev): -13.1861 -13.1861 -12.1025 -12.1025 -10.8787 -10.8787 -10.3437 -10.3437 -9.8541 -9.8541 -9.5669 -9.5669 -2.6615 -2.6615 -0.7199 -0.7199 0.3249 0.3249 1.4083 1.4083 2.2571 2.2571 2.3028 2.3028 2.6753 2.6753 4.0408 4.0408 4.2780 4.2780 4.4953 4.4953 5.1317 5.1317 5.2357 5.2357 5.6006 5.6006 5.7560 5.7560 6.1757 6.1757 6.5524 6.5524 6.8124 6.8124 6.9816 6.9816 8.0021 8.0021 8.1396 8.1396 8.6084 8.6084 9.0370 9.0370 9.4141 9.4141 12.4275 12.4275 12.8800 12.8800 15.7981 15.7981 16.1233 16.1233 17.4017 17.4017 k = 0.4487 0.2591 0.5365 ( 3210 PWs) bands (ev): -13.1593 -13.1593 -12.1377 -12.1377 -10.8820 -10.8820 -10.3290 -10.3290 -9.8667 -9.8667 -9.5675 -9.5675 -2.6316 -2.6316 -0.7414 -0.7414 0.3188 0.3188 1.4681 1.4681 2.2172 2.2172 2.3133 2.3133 2.6598 2.6598 4.0112 4.0112 4.3086 4.3086 4.5056 4.5056 5.1207 5.1207 5.2536 5.2536 5.6074 5.6074 5.7225 5.7225 6.1898 6.1898 6.5802 6.5802 6.7945 6.7945 6.9730 6.9730 7.9987 7.9987 8.1375 8.1375 8.6093 8.6093 9.0322 9.0322 9.4080 9.4080 12.4160 12.4160 12.8796 12.8796 15.7810 15.7810 16.1383 16.1383 17.4087 17.4087 k = 0.4615 0.2665 0.5365 ( 3214 PWs) bands (ev): -13.1370 -13.1370 -12.1665 -12.1665 -10.8846 -10.8846 -10.3168 -10.3168 -9.8772 -9.8772 -9.5680 -9.5680 -2.6078 -2.6078 -0.7586 -0.7586 0.3141 0.3141 1.5264 1.5264 2.1446 2.1446 2.3588 2.3588 2.6406 2.6406 3.9877 3.9877 4.3332 4.3332 4.5135 4.5135 5.1120 5.1120 5.2705 5.2705 5.6128 5.6128 5.6932 5.6932 6.2011 6.2011 6.6057 6.6057 6.7768 6.7768 6.9661 6.9661 7.9960 7.9960 8.1358 8.1358 8.6099 8.6099 9.0285 9.0285 9.4031 9.4031 12.4068 12.4068 12.8794 12.8794 15.7672 15.7672 16.1502 16.1502 17.4150 17.4150 k = 0.4744 0.2739 0.5365 ( 3214 PWs) bands (ev): -13.1201 -13.1201 -12.1881 -12.1881 -10.8865 -10.8865 -10.3077 -10.3077 -9.8852 -9.8852 -9.5684 -9.5684 -2.5904 -2.5904 -0.7712 -0.7712 0.3107 0.3107 1.5791 1.5791 2.0810 2.0810 2.3993 2.3993 2.6195 2.6195 3.9707 3.9707 4.3513 4.3513 4.5192 4.5192 5.1056 5.1056 5.2847 5.2847 5.6168 5.6168 5.6698 5.6698 6.2094 6.2094 6.6281 6.6281 6.7603 6.7603 6.9610 6.9610 7.9940 7.9940 8.1346 8.1346 8.6104 8.6104 9.0259 9.0259 9.3995 9.3995 12.4000 12.4000 12.8793 12.8793 15.7571 15.7571 16.1588 16.1588 17.4199 17.4199 k = 0.4872 0.2813 0.5365 ( 3212 PWs) bands (ev): -13.1096 -13.1096 -12.2014 -12.2014 -10.8876 -10.8876 -10.3020 -10.3020 -9.8901 -9.8901 -9.5686 -9.5686 -2.5799 -2.5799 -0.7789 -0.7789 0.3086 0.3086 1.6187 1.6187 2.0348 2.0348 2.4298 2.4298 2.6008 2.6008 3.9604 3.9604 4.3623 4.3623 4.5225 4.5225 5.1017 5.1017 5.2944 5.2944 5.6193 5.6193 5.6545 5.6545 6.2145 6.2145 6.6448 6.6448 6.7470 6.7470 6.9579 6.9579 7.9928 7.9928 8.1338 8.1338 8.6107 8.6107 9.0243 9.0243 9.3974 9.3974 12.3958 12.3958 12.8793 12.8793 15.7509 15.7509 16.1639 16.1639 17.4230 17.4230 k = 0.5000 0.2887 0.5365 ( 3208 PWs) bands (ev): -13.1060 -13.1060 -12.2060 -12.2060 -10.8880 -10.8880 -10.3000 -10.3000 -9.8918 -9.8918 -9.5687 -9.5687 -2.5763 -2.5763 -0.7815 -0.7815 0.3079 0.3079 1.6341 1.6341 2.0171 2.0171 2.4420 2.4420 2.5926 2.5926 3.9570 3.9570 4.3660 4.3660 4.5236 4.5236 5.1005 5.1005 5.2979 5.2979 5.6202 5.6202 5.6491 5.6491 6.2162 6.2162 6.6515 6.6515 6.7415 6.7415 6.9569 6.9569 7.9924 7.9924 8.1336 8.1336 8.6108 8.6108 9.0238 9.0238 9.3967 9.3967 12.3944 12.3944 12.8793 12.8793 15.7489 15.7489 16.1656 16.1656 17.4241 17.4241 k = 0.5000 0.2887 0.5365 ( 3208 PWs) bands (ev): -13.1060 -13.1060 -12.2060 -12.2060 -10.8880 -10.8880 -10.3000 -10.3000 -9.8918 -9.8918 -9.5687 -9.5687 -2.5763 -2.5763 -0.7815 -0.7815 0.3079 0.3079 1.6341 1.6341 2.0171 2.0171 2.4420 2.4420 2.5926 2.5926 3.9570 3.9570 4.3660 4.3660 4.5236 4.5236 5.1005 5.1005 5.2979 5.2979 5.6202 5.6202 5.6491 5.6491 6.2162 6.2162 6.6515 6.6515 6.7415 6.7415 6.9569 6.9569 7.9924 7.9924 8.1336 8.1336 8.6108 8.6108 9.0238 9.0238 9.3967 9.3967 12.3944 12.3944 12.8793 12.8793 15.7489 15.7489 16.1656 16.1656 17.4241 17.4241 k = 0.4928 0.3012 0.5365 ( 3220 PWs) bands (ev): -13.1051 -13.1051 -12.2067 -12.2067 -10.8889 -10.8889 -10.2996 -10.2996 -9.8924 -9.8924 -9.5682 -9.5682 -2.5743 -2.5743 -0.7838 -0.7838 0.3097 0.3097 1.6323 1.6323 2.0133 2.0133 2.4448 2.4448 2.5957 2.5957 3.9559 3.9559 4.3619 4.3619 4.5255 4.5255 5.1025 5.1025 5.2984 5.2984 5.6166 5.6166 5.6530 5.6530 6.2163 6.2163 6.6515 6.6515 6.7416 6.7416 6.9569 6.9569 7.9924 7.9924 8.1334 8.1334 8.6107 8.6107 9.0238 9.0238 9.3960 9.3960 12.3947 12.3947 12.8776 12.8776 15.7489 15.7489 16.1657 16.1657 17.4119 17.4119 k = 0.4855 0.3138 0.5365 ( 3220 PWs) bands (ev): -13.1024 -13.1024 -12.2088 -12.2088 -10.8915 -10.8915 -10.2983 -10.2983 -9.8942 -9.8942 -9.5668 -9.5668 -2.5684 -2.5684 -0.7904 -0.7904 0.3150 0.3150 1.6270 1.6270 2.0019 2.0019 2.4532 2.4532 2.6046 2.6046 3.9526 3.9526 4.3499 4.3499 4.5314 4.5314 5.1085 5.1085 5.2998 5.2998 5.6089 5.6089 5.6621 5.6621 6.2168 6.2168 6.6514 6.6514 6.7418 6.7418 6.9568 6.9568 7.9925 7.9925 8.1330 8.1330 8.6108 8.6108 9.0238 9.0238 9.3942 9.3942 12.3955 12.3955 12.8725 12.8725 15.7492 15.7492 16.1661 16.1661 17.3786 17.3786 k = 0.4783 0.3263 0.5365 ( 3204 PWs) bands (ev): -13.0979 -13.0979 -12.2123 -12.2123 -10.8958 -10.8958 -10.2962 -10.2962 -9.8971 -9.8971 -9.5646 -9.5646 -2.5585 -2.5585 -0.8015 -0.8015 0.3238 0.3238 1.6183 1.6183 1.9837 1.9837 2.4670 2.4670 2.6187 2.6187 3.9472 3.9472 4.3306 4.3306 4.5411 4.5411 5.1176 5.1176 5.3025 5.3025 5.5995 5.5995 5.6738 5.6738 6.2175 6.2175 6.6513 6.6513 6.7421 6.7421 6.9566 6.9566 7.9927 7.9927 8.1325 8.1325 8.6109 8.6109 9.0240 9.0240 9.3913 9.3913 12.3968 12.3968 12.8641 12.8641 15.7497 15.7497 16.1667 16.1667 17.3307 17.3307 k = 0.4710 0.3389 0.5365 ( 3204 PWs) bands (ev): -13.0917 -13.0917 -12.2173 -12.2173 -10.9018 -10.9018 -10.2932 -10.2932 -9.9010 -9.9010 -9.5616 -9.5616 -2.5447 -2.5447 -0.8169 -0.8169 0.3360 0.3360 1.6066 1.6066 1.9596 1.9596 2.4857 2.4857 2.6373 2.6373 3.9398 3.9398 4.3047 4.3047 4.5544 4.5544 5.1287 5.1287 5.3067 5.3067 5.5891 5.5891 5.6870 5.6870 6.2184 6.2184 6.6511 6.6511 6.7427 6.7427 6.9564 6.9564 7.9930 7.9930 8.1316 8.1316 8.6109 8.6109 9.0241 9.0241 9.3871 9.3871 12.3985 12.3985 12.8526 12.8526 15.7502 15.7502 16.1675 16.1675 17.2741 17.2741 k = 0.4638 0.3514 0.5365 ( 3202 PWs) bands (ev): -13.0836 -13.0836 -12.2238 -12.2238 -10.9092 -10.9092 -10.2895 -10.2895 -9.9058 -9.9058 -9.5580 -9.5580 -2.5271 -2.5271 -0.8365 -0.8365 0.3517 0.3517 1.5923 1.5923 1.9305 1.9305 2.5090 2.5090 2.6595 2.6595 3.9304 3.9304 4.2730 4.2730 4.5713 4.5713 5.1407 5.1407 5.3128 5.3128 5.5779 5.5779 5.7018 5.7018 6.2193 6.2193 6.6509 6.6509 6.7436 6.7436 6.9561 6.9561 7.9931 7.9931 8.1305 8.1305 8.6110 8.6110 9.0245 9.0245 9.3817 9.3817 12.4007 12.4007 12.8381 12.8381 15.7510 15.7510 16.1686 16.1686 17.2125 17.2125 k = 0.4565 0.3640 0.5365 ( 3202 PWs) bands (ev): -13.0738 -13.0738 -12.2318 -12.2318 -10.9178 -10.9178 -10.2848 -10.2848 -9.9115 -9.9115 -9.5541 -9.5541 -2.5057 -2.5057 -0.8602 -0.8602 0.3709 0.3709 1.5756 1.5756 1.8975 1.8975 2.5363 2.5363 2.6845 2.6845 3.9193 3.9193 4.2365 4.2365 4.5915 4.5915 5.1522 5.1522 5.3212 5.3212 5.5658 5.5658 5.7180 5.7180 6.2202 6.2202 6.6505 6.6505 6.7448 6.7448 6.9556 6.9556 7.9933 7.9933 8.1291 8.1291 8.6111 8.6111 9.0251 9.0251 9.3751 9.3751 12.4034 12.4034 12.8211 12.8211 15.7518 15.7518 16.1699 16.1699 17.1484 17.1484 k = 0.4493 0.3765 0.5365 ( 3204 PWs) bands (ev): -13.0622 -13.0622 -12.2414 -12.2414 -10.9276 -10.9276 -10.2794 -10.2794 -9.9179 -9.9179 -9.5498 -9.5498 -2.4806 -2.4806 -0.8877 -0.8877 0.3933 0.3933 1.5570 1.5570 1.8612 1.8612 2.5670 2.5670 2.7117 2.7117 3.9064 3.9064 4.1957 4.1957 4.6147 4.6147 5.1621 5.1621 5.3324 5.3324 5.5527 5.5527 5.7356 5.7356 6.2210 6.2210 6.6501 6.6501 6.7465 6.7465 6.9550 6.9550 7.9933 7.9933 8.1274 8.1274 8.6112 8.6112 9.0260 9.0260 9.3675 9.3675 12.4065 12.4065 12.8018 12.8018 15.7528 15.7528 16.1714 16.1714 17.0834 17.0834 k = 0.4420 0.3891 0.5365 ( 3204 PWs) bands (ev): -13.0488 -13.0488 -12.2528 -12.2528 -10.9383 -10.9383 -10.2731 -10.2731 -9.9249 -9.9249 -9.5455 -9.5455 -2.4518 -2.4518 -0.9189 -0.9189 0.4191 0.4191 1.5367 1.5367 1.8223 1.8223 2.6007 2.6007 2.7408 2.7408 3.8921 3.8921 4.1515 4.1515 4.6407 4.6407 5.1699 5.1699 5.3462 5.3462 5.5385 5.5385 5.7546 5.7546 6.2214 6.2214 6.6497 6.6497 6.7487 6.7487 6.9542 6.9542 7.9932 7.9932 8.1256 8.1256 8.6113 8.6113 9.0273 9.0273 9.3587 9.3587 12.4099 12.4099 12.7805 12.7805 15.7538 15.7538 16.1733 16.1733 17.0186 17.0186 k = 0.4348 0.4016 0.5365 ( 3200 PWs) bands (ev): -13.0336 -13.0336 -12.2658 -12.2658 -10.9497 -10.9497 -10.2661 -10.2661 -9.9324 -9.9324 -9.5412 -9.5412 -2.4196 -2.4196 -0.9537 -0.9537 0.4481 0.4481 1.5151 1.5151 1.7816 1.7816 2.6370 2.6370 2.7714 2.7714 3.8764 3.8764 4.1042 4.1042 4.6693 4.6693 5.1753 5.1753 5.3624 5.3624 5.5231 5.5231 5.7747 5.7747 6.2213 6.2213 6.6491 6.6491 6.7515 6.7515 6.9532 6.9532 7.9928 7.9928 8.1234 8.1234 8.6115 8.6115 9.0292 9.0292 9.3490 9.3490 12.4136 12.4136 12.7578 12.7578 15.7549 15.7549 16.1756 16.1756 16.9547 16.9547 k = 0.4275 0.4142 0.5365 ( 3204 PWs) bands (ev): -13.0168 -13.0168 -12.2806 -12.2806 -10.9614 -10.9614 -10.2583 -10.2583 -9.9405 -9.9405 -9.5371 -9.5371 -2.3840 -2.3840 -0.9917 -0.9917 0.4803 0.4803 1.4922 1.4922 1.7393 1.7393 2.6752 2.6752 2.8033 2.8033 3.8595 3.8595 4.0544 4.0544 4.7001 4.7001 5.1784 5.1784 5.3804 5.3804 5.5065 5.5065 5.7960 5.7960 6.2205 6.2205 6.6485 6.6485 6.7549 6.7549 6.9519 6.9519 7.9923 7.9923 8.1211 8.1211 8.6117 8.6117 9.0317 9.0317 9.3382 9.3382 12.4177 12.4177 12.7338 12.7338 15.7560 15.7560 16.1782 16.1782 16.8923 16.8923 k = 0.4203 0.4267 0.5365 ( 3200 PWs) bands (ev): -12.9981 -12.9981 -12.2973 -12.2973 -10.9733 -10.9733 -10.2497 -10.2497 -9.9491 -9.9491 -9.5332 -9.5332 -2.3452 -2.3452 -1.0327 -1.0327 0.5156 0.5156 1.4683 1.4683 1.6960 1.6960 2.7152 2.7152 2.8364 2.8364 3.8416 3.8416 4.0023 4.0023 4.7329 4.7329 5.1797 5.1797 5.3995 5.3995 5.4886 5.4886 5.8182 5.8182 6.2189 6.2189 6.6477 6.6477 6.7591 6.7591 6.9503 6.9503 7.9916 7.9916 8.1186 8.1186 8.6120 8.6120 9.0349 9.0349 9.3265 9.3265 12.4220 12.4220 12.7092 12.7092 15.7569 15.7569 16.1814 16.1814 16.8318 16.8318 k = 0.4130 0.4393 0.5365 ( 3192 PWs) bands (ev): -12.9778 -12.9778 -12.3159 -12.3159 -10.9852 -10.9852 -10.2403 -10.2403 -9.9581 -9.9581 -9.5296 -9.5296 -2.3033 -2.3033 -1.0767 -1.0767 0.5539 0.5539 1.4436 1.4436 1.6519 1.6519 2.7564 2.7564 2.8707 2.8707 3.8228 3.8228 3.9483 3.9483 4.7674 4.7674 5.1794 5.1794 5.4188 5.4188 5.4697 5.4697 5.8412 5.8412 6.2162 6.2162 6.6470 6.6470 6.7641 6.7641 6.9482 6.9482 7.9906 7.9906 8.1160 8.1160 8.6124 8.6124 9.0389 9.0389 9.3140 9.3140 12.4265 12.4265 12.6843 12.6843 15.7578 15.7578 16.1853 16.1853 16.7737 16.7737 k = 0.4058 0.4518 0.5365 ( 3188 PWs) bands (ev): -12.9557 -12.9557 -12.3364 -12.3364 -10.9967 -10.9967 -10.2303 -10.2303 -9.9676 -9.9676 -9.5264 -9.5264 -2.2585 -2.2585 -1.1232 -1.1232 0.5952 0.5952 1.4180 1.4180 1.6074 1.6074 2.7986 2.7986 2.9060 2.9060 3.8034 3.8034 3.8925 3.8925 4.8031 4.8031 5.1781 5.1781 5.4362 5.4362 5.4515 5.4515 5.8648 5.8648 6.2122 6.2122 6.6461 6.6461 6.7699 6.7699 6.9455 6.9455 7.9895 7.9895 8.1131 8.1131 8.6127 8.6127 9.0439 9.0439 9.3006 9.3006 12.4313 12.4313 12.6595 12.6595 15.7586 15.7586 16.1900 16.1900 16.7183 16.7183 k = 0.3986 0.4644 0.5365 ( 3188 PWs) bands (ev): -12.9320 -12.9320 -12.3589 -12.3589 -11.0078 -11.0078 -10.2195 -10.2195 -9.9775 -9.9775 -9.5236 -9.5236 -2.2109 -2.2109 -1.1722 -1.1722 0.6394 0.6394 1.3917 1.3917 1.5628 1.5628 2.8414 2.8414 2.9424 2.9424 3.7834 3.7834 3.8352 3.8352 4.8400 4.8400 5.1759 5.1759 5.4254 5.4254 5.4597 5.4597 5.8888 5.8888 6.2069 6.2069 6.6452 6.6452 6.7765 6.7765 6.9422 6.9422 7.9881 7.9881 8.1103 8.1103 8.6131 8.6131 9.0497 9.0497 9.2865 9.2865 12.4362 12.4362 12.6351 12.6351 15.7591 15.7591 16.1955 16.1955 16.6659 16.6659 k = 0.3913 0.4769 0.5365 ( 3192 PWs) bands (ev): -12.9065 -12.9065 -12.3834 -12.3834 -11.0181 -11.0181 -10.2080 -10.2080 -9.9880 -9.9880 -9.5212 -9.5212 -2.1608 -2.1608 -1.2234 -1.2234 0.6863 0.6863 1.3648 1.3648 1.5182 1.5182 2.8846 2.8846 2.9799 2.9799 3.7626 3.7626 3.7771 3.7771 4.8775 4.8775 5.1732 5.1732 5.4029 5.4029 5.4775 5.4775 5.9131 5.9131 6.2000 6.2000 6.6443 6.6443 6.7840 6.7840 6.9382 6.9382 7.9866 7.9866 8.1074 8.1074 8.6135 8.6135 9.0566 9.0566 9.2719 9.2719 12.4412 12.4412 12.6115 12.6115 15.7593 15.7593 16.2021 16.2021 16.6167 16.6167 k = 0.3841 0.4895 0.5365 ( 3200 PWs) bands (ev): -12.8794 -12.8794 -12.4099 -12.4099 -11.0275 -11.0275 -10.1959 -10.1959 -9.9990 -9.9990 -9.5192 -9.5192 -2.1083 -2.1083 -1.2767 -1.2767 0.7359 0.7359 1.3372 1.3372 1.4739 1.4739 2.9279 2.9279 3.0183 3.0183 3.7153 3.7153 3.7440 3.7440 4.9155 4.9155 5.1701 5.1701 5.3787 5.3787 5.4947 5.4947 5.9373 5.9373 6.1915 6.1915 6.6434 6.6434 6.7923 6.7923 6.9334 6.9334 7.9850 7.9850 8.1045 8.1045 8.6139 8.6139 9.0644 9.0644 9.2566 9.2566 12.4463 12.4463 12.5890 12.5890 15.7593 15.7593 16.2099 16.2099 16.5710 16.5710 k = 0.3768 0.5020 0.5365 ( 3212 PWs) bands (ev): -12.8507 -12.8507 -12.4382 -12.4382 -11.0359 -11.0359 -10.1831 -10.1831 -10.0107 -10.0107 -9.5177 -9.5177 -2.0537 -2.0537 -1.3317 -1.3317 0.7882 0.7882 1.3091 1.3091 1.4302 1.4302 2.9710 2.9710 3.0576 3.0576 3.6542 3.6542 3.7239 3.7239 4.9536 4.9536 5.1669 5.1669 5.3532 5.3532 5.5106 5.5106 5.9614 5.9614 6.1812 6.1812 6.6425 6.6425 6.8013 6.8013 6.9276 6.9276 7.9833 7.9833 8.1017 8.1017 8.6143 8.6143 9.0733 9.0733 9.2410 9.2410 12.4516 12.4516 12.5680 12.5680 15.7590 15.7590 16.2188 16.2188 16.5290 16.5290 k = 0.3696 0.5146 0.5365 ( 3212 PWs) bands (ev): -12.8203 -12.8203 -12.4685 -12.4685 -11.0431 -11.0431 -10.1697 -10.1697 -10.0229 -10.0229 -9.5164 -9.5164 -1.9971 -1.9971 -1.3885 -1.3885 0.8429 0.8429 1.2804 1.2804 1.3872 1.3872 3.0138 3.0138 3.0976 3.0976 3.5918 3.5918 3.7046 3.7046 4.9916 4.9916 5.1638 5.1638 5.3265 5.3265 5.5250 5.5250 5.9851 5.9851 6.1692 6.1692 6.6417 6.6417 6.8111 6.8111 6.9208 6.9208 7.9818 7.9818 8.0992 8.0992 8.6147 8.6147 9.0832 9.0832 9.2252 9.2252 12.4570 12.4570 12.5488 12.5488 15.7584 15.7584 16.2290 16.2290 16.4909 16.4909 k = 0.3623 0.5271 0.5365 ( 3204 PWs) bands (ev): -12.7884 -12.7884 -12.5005 -12.5005 -11.0491 -11.0491 -10.1558 -10.1558 -10.0358 -10.0358 -9.5155 -9.5155 -1.9387 -1.9387 -1.4468 -1.4468 0.9000 0.9000 1.2513 1.2513 1.3451 1.3451 3.0558 3.0558 3.1380 3.1380 3.5284 3.5284 3.6865 3.6865 5.0291 5.0291 5.1608 5.1608 5.2987 5.2987 5.5375 5.5375 6.0081 6.0081 6.1557 6.1557 6.6411 6.6411 6.8216 6.8216 6.9129 6.9129 7.9805 7.9805 8.0971 8.0971 8.6152 8.6152 9.0941 9.0941 9.2093 9.2093 12.4625 12.4625 12.5316 12.5316 15.7575 15.7575 16.2404 16.2404 16.4569 16.4569 k = 0.3551 0.5397 0.5365 ( 3212 PWs) bands (ev): -12.7548 -12.7548 -12.5343 -12.5343 -11.0538 -11.0538 -10.1412 -10.1412 -10.0494 -10.0494 -9.5149 -9.5149 -1.8789 -1.8789 -1.5064 -1.5064 0.9591 0.9591 1.2219 1.2219 1.3043 1.3043 3.0966 3.0966 3.1780 3.1780 3.4645 3.4645 3.6701 3.6701 5.0658 5.0658 5.1581 5.1581 5.2701 5.2701 5.5480 5.5480 6.0302 6.0302 6.1406 6.1406 6.6406 6.6406 6.8327 6.8327 6.9038 6.9038 7.9793 7.9793 8.0952 8.0952 8.6155 8.6155 9.1058 9.1058 9.1934 9.1934 12.4681 12.4681 12.5166 12.5166 15.7565 15.7565 16.2524 16.2524 16.4274 16.4274 k = 0.3478 0.5522 0.5365 ( 3204 PWs) bands (ev): -12.7198 -12.7198 -12.5696 -12.5696 -11.0572 -11.0572 -10.1262 -10.1262 -10.0637 -10.0637 -9.5145 -9.5145 -1.8178 -1.8178 -1.5673 -1.5673 1.0197 1.0197 1.1922 1.1922 1.2654 1.2654 3.1355 3.1355 3.2168 3.2168 3.4011 3.4011 3.6564 3.6564 5.1011 5.1011 5.1560 5.1560 5.2409 5.2409 5.5560 5.5560 6.0511 6.0511 6.1245 6.1245 6.6403 6.6403 6.8444 6.8444 6.8937 6.8937 7.9785 7.9785 8.0939 8.0939 8.6158 8.6158 9.1184 9.1184 9.1778 9.1778 12.4737 12.4737 12.5041 12.5041 15.7556 15.7556 16.2643 16.2643 16.4034 16.4034 k = 0.3406 0.5648 0.5365 ( 3200 PWs) bands (ev): -12.6833 -12.6833 -12.6064 -12.6064 -11.0592 -11.0592 -10.1106 -10.1106 -10.0788 -10.0788 -9.5143 -9.5143 -1.7556 -1.7556 -1.6292 -1.6292 1.0793 1.0793 1.1631 1.1631 1.2299 1.2299 3.1701 3.1701 3.2517 3.2517 3.3416 3.3416 3.6467 3.6467 5.1332 5.1332 5.1548 5.1548 5.2124 5.2124 5.5612 5.5612 6.0704 6.0704 6.1079 6.1079 6.6402 6.6402 6.8563 6.8563 6.8825 6.8825 7.9780 7.9780 8.0931 8.0931 8.6160 8.6160 9.1314 9.1314 9.1629 9.1629 12.4793 12.4793 12.4944 12.4944 15.7548 15.7548 16.2739 16.2739 16.3866 16.3866 k = 0.3333 0.5774 0.5365 ( 3192 PWs) bands (ev): -12.6497 -12.6497 -12.6401 -12.6401 -11.0599 -11.0599 -10.0949 -10.0949 -10.0944 -10.0944 -9.5142 -9.5142 -1.6973 -1.6973 -1.6874 -1.6874 1.1174 1.1174 1.1443 1.1443 1.2090 1.2090 3.1890 3.1890 3.2694 3.2694 3.3088 3.3088 3.6429 3.6429 5.1489 5.1489 5.1575 5.1575 5.1947 5.1947 5.5631 5.5631 6.0835 6.0835 6.0955 6.0955 6.6401 6.6401 6.8659 6.8659 6.8732 6.8732 7.9779 7.9779 8.0929 8.0929 8.6161 8.6161 9.1409 9.1409 9.1527 9.1527 12.4828 12.4828 12.4894 12.4894 15.7545 15.7545 16.2779 16.2779 16.3804 16.3804 k = 0.3333 0.5774 0.5365 ( 3192 PWs) bands (ev): -12.6497 -12.6497 -12.6401 -12.6401 -11.0599 -11.0599 -10.0949 -10.0949 -10.0944 -10.0944 -9.5142 -9.5142 -1.6973 -1.6973 -1.6874 -1.6874 1.1174 1.1174 1.1443 1.1443 1.2090 1.2090 3.1890 3.1890 3.2694 3.2694 3.3088 3.3088 3.6429 3.6429 5.1489 5.1489 5.1575 5.1575 5.1947 5.1947 5.5631 5.5631 6.0835 6.0835 6.0955 6.0955 6.6401 6.6401 6.8659 6.8659 6.8732 6.8732 7.9779 7.9779 8.0929 8.0929 8.6161 8.6161 9.1409 9.1409 9.1527 9.1527 12.4828 12.4828 12.4894 12.4894 15.7545 15.7545 16.2779 16.2779 16.3804 16.3804 k = 0.3259 0.5645 0.5365 ( 3196 PWs) bands (ev): -12.6855 -12.6855 -12.6041 -12.6041 -11.0592 -11.0592 -10.1116 -10.1116 -10.0779 -10.0779 -9.5143 -9.5143 -1.7578 -1.7578 -1.6270 -1.6270 1.0951 1.0951 1.1334 1.1334 1.2438 1.2438 3.1594 3.1594 3.2773 3.2773 3.3256 3.3256 3.6477 3.6477 5.1338 5.1338 5.1535 5.1535 5.2130 5.2130 5.5609 5.5609 6.0711 6.0711 6.1072 6.1072 6.6401 6.6401 6.8555 6.8555 6.8835 6.8835 7.9780 7.9780 8.0932 8.0932 8.6160 8.6160 9.1311 9.1311 9.1632 9.1632 12.4804 12.4804 12.4934 12.4934 15.7549 15.7549 16.2737 16.2737 16.3869 16.3869 k = 0.3185 0.5517 0.5365 ( 3208 PWs) bands (ev): -12.7268 -12.7268 -12.5623 -12.5623 -11.0572 -11.0572 -10.1294 -10.1294 -10.0607 -10.0607 -9.5144 -9.5144 -1.8239 -1.8239 -1.5615 -1.5615 1.0644 1.0644 1.1034 1.1034 1.3098 1.3098 3.0979 3.0979 3.3022 3.3022 3.3460 3.3460 3.6635 3.6635 5.1024 5.1024 5.1535 5.1535 5.2417 5.2417 5.5541 5.5541 6.0555 6.0555 6.1213 6.1213 6.6398 6.6398 6.8415 6.8415 6.8970 6.8970 7.9785 7.9785 8.0941 8.0941 8.6157 8.6157 9.1179 9.1179 9.1786 9.1786 12.4788 12.4788 12.4995 12.4995 15.7564 15.7564 16.2631 16.2631 16.4039 16.4039 k = 0.3111 0.5389 0.5365 ( 3200 PWs) bands (ev): -12.7691 -12.7691 -12.5189 -12.5189 -11.0538 -11.0538 -10.1479 -10.1479 -10.0431 -10.0431 -9.5146 -9.5146 -1.8907 -1.8907 -1.4956 -1.4956 1.0331 1.0331 1.0711 1.0711 1.3825 1.3825 3.0289 3.0289 3.3246 3.3246 3.3644 3.3644 3.6911 3.6911 5.0681 5.0681 5.1549 5.1549 5.2702 5.2702 5.5420 5.5420 6.0416 6.0416 6.1334 6.1334 6.6388 6.6388 6.8275 6.8275 6.9111 6.9111 7.9795 7.9795 8.0957 8.0957 8.6152 8.6152 9.1056 9.1056 9.1948 9.1948 12.4800 12.4800 12.5061 12.5061 15.7592 15.7592 16.2494 16.2494 16.4279 16.4279 k = 0.3037 0.5260 0.5365 ( 3200 PWs) bands (ev): -12.8123 -12.8123 -12.4742 -12.4742 -11.0493 -11.0493 -10.1671 -10.1671 -10.0253 -10.0253 -9.5148 -9.5148 -1.9583 -1.9583 -1.4297 -1.4297 1.0017 1.0017 1.0393 1.0393 1.4582 1.4582 2.9572 2.9572 3.3342 3.3342 3.3870 3.3870 3.7296 3.7296 5.0326 5.0326 5.1574 5.1574 5.2970 5.2970 5.5243 5.5243 6.0304 6.0304 6.1429 6.1429 6.6364 6.6364 6.8141 6.8141 6.9255 6.9255 7.9807 7.9807 8.0979 8.0979 8.6145 8.6145 9.0944 9.0944 9.2116 9.2116 12.4840 12.4840 12.5128 12.5128 15.7636 15.7636 16.2342 16.2342 16.4566 16.4566 k = 0.2963 0.5132 0.5365 ( 3200 PWs) bands (ev): -12.8560 -12.8560 -12.4280 -12.4280 -11.0435 -11.0435 -10.1871 -10.1871 -10.0072 -10.0072 -9.5150 -9.5150 -2.0264 -2.0264 -1.3639 -1.3639 0.9707 0.9707 1.0085 1.0085 1.5362 1.5362 2.8841 2.8841 3.3325 3.3325 3.4133 3.4133 3.7768 3.7768 4.9962 4.9962 5.1608 5.1608 5.3218 5.3218 5.5007 5.5007 6.0224 6.0224 6.1498 6.1498 6.6316 6.6316 6.8026 6.8026 6.9401 6.9401 7.9823 7.9823 8.1008 8.1008 8.6136 8.6136 9.0846 9.0846 9.2288 9.2288 12.4909 12.4909 12.5197 12.5197 15.7700 15.7700 16.2182 16.2182 16.4888 16.4888 k = 0.2889 0.5004 0.5365 ( 3204 PWs) bands (ev): -12.9003 -12.9003 -12.3805 -12.3805 -11.0367 -11.0367 -10.2077 -10.2077 -9.9888 -9.9888 -9.5152 -9.5152 -2.0951 -2.0951 -1.2983 -1.2983 0.9402 0.9402 0.9792 0.9792 1.6158 1.6158 2.8103 2.8103 3.3247 3.3247 3.4395 3.4395 3.8305 3.8305 4.9592 4.9592 5.1653 5.1653 5.3442 5.3442 5.4716 5.4716 6.0180 6.0180 6.1540 6.1540 6.6235 6.6235 6.7940 6.7940 6.9549 6.9549 7.9841 7.9841 8.1042 8.1042 8.6123 8.6123 9.0763 9.0763 9.2464 9.2464 12.5006 12.5006 12.5268 12.5268 15.7784 15.7784 16.2013 16.2013 16.5239 16.5239 k = 0.2815 0.4875 0.5365 ( 3204 PWs) bands (ev): -12.9449 -12.9449 -12.3318 -12.3318 -11.0288 -11.0288 -10.2289 -10.2289 -9.9703 -9.9703 -9.5154 -9.5154 -2.1643 -2.1643 -1.2332 -1.2332 0.9104 0.9104 0.9514 0.9514 1.6967 1.6967 2.7360 2.7360 3.3139 3.3139 3.4638 3.4638 3.8890 3.8890 4.9217 4.9217 5.1708 5.1708 5.3642 5.3642 5.4375 5.4375 6.0171 6.0171 6.1552 6.1552 6.6110 6.6110 6.7894 6.7894 6.9699 6.9699 7.9862 7.9862 8.1082 8.1082 8.6109 8.6109 9.0697 9.0697 9.2641 9.2641 12.5131 12.5131 12.5338 12.5338 15.7892 15.7892 16.1834 16.1834 16.5615 16.5615 k = 0.2741 0.4747 0.5365 ( 3202 PWs) bands (ev): -12.9897 -12.9897 -12.2818 -12.2818 -11.0200 -11.0200 -10.2506 -10.2506 -9.9516 -9.9516 -9.5155 -9.5155 -2.2338 -2.2338 -1.1687 -1.1687 0.8812 0.8812 0.9253 0.9253 1.7783 1.7783 2.6614 2.6614 3.3018 3.3018 3.4856 3.4856 3.9512 3.9512 4.8838 4.8838 5.1773 5.1773 5.3806 5.3806 5.4001 5.4001 6.0193 6.0193 6.1536 6.1536 6.5940 6.5940 6.7889 6.7889 6.9850 6.9850 7.9886 7.9886 8.1125 8.1125 8.6092 8.6092 9.0649 9.0649 9.2821 9.2821 12.5281 12.5281 12.5410 12.5410 15.8024 15.8024 16.1643 16.1643 16.6014 16.6014 k = 0.2667 0.4619 0.5365 ( 3200 PWs) bands (ev): -13.0346 -13.0346 -12.2307 -12.2307 -11.0102 -11.0102 -10.2728 -10.2728 -9.9328 -9.9328 -9.5157 -9.5157 -2.3038 -2.3038 -1.1048 -1.1048 0.8528 0.8528 0.9010 0.9010 1.8603 1.8603 2.5868 2.5868 3.2897 3.2897 3.5040 3.5040 4.0158 4.0158 4.8458 4.8458 5.1848 5.1848 5.3560 5.3560 5.3979 5.3979 6.0245 6.0245 6.1492 6.1492 6.5729 6.5729 6.7923 6.7923 7.0001 7.0001 7.9913 7.9913 8.1172 8.1172 8.6073 8.6073 9.0619 9.0619 9.3002 9.3002 12.5441 12.5441 12.5495 12.5495 15.8180 15.8180 16.1438 16.1438 16.6434 16.6434 k = 0.2593 0.4491 0.5365 ( 3204 PWs) bands (ev): -13.0793 -13.0793 -12.1785 -12.1785 -10.9997 -10.9997 -10.2954 -10.2954 -9.9141 -9.9141 -9.5159 -9.5159 -2.3741 -2.3741 -1.0416 -1.0416 0.8253 0.8253 0.8786 0.8786 1.9419 1.9419 2.5125 2.5125 3.2788 3.2788 3.5188 3.5188 4.0822 4.0822 4.8079 4.8079 5.1931 5.1931 5.3123 5.3123 5.4099 5.4099 6.0323 6.0323 6.1421 6.1421 6.5483 6.5483 6.7990 6.7990 7.0152 7.0152 7.9941 7.9941 8.1222 8.1222 8.6053 8.6053 9.0606 9.0606 9.3183 9.3183 12.5531 12.5531 12.5672 12.5672 15.8360 15.8360 16.1218 16.1218 16.6870 16.6870 k = 0.2519 0.4362 0.5365 ( 3200 PWs) bands (ev): -13.1239 -13.1239 -12.1253 -12.1253 -10.9885 -10.9885 -10.3183 -10.3183 -9.8953 -9.8953 -9.5161 -9.5161 -2.4446 -2.4446 -0.9793 -0.9793 0.7986 0.7986 0.8583 0.8583 2.0223 2.0223 2.4385 2.4385 3.2699 3.2699 3.5294 3.5294 4.1496 4.1496 4.7703 4.7703 5.2017 5.2017 5.2676 5.2676 5.4196 5.4196 6.0422 6.0422 6.1324 6.1324 6.5210 6.5210 6.8082 6.8082 7.0302 7.0302 7.9973 7.9973 8.1273 8.1273 8.6031 8.6031 9.0614 9.0614 9.3365 9.3365 12.5594 12.5594 12.5895 12.5895 15.8560 15.8560 16.0984 16.0984 16.7322 16.7322 k = 0.2444 0.4234 0.5365 ( 3204 PWs) bands (ev): -13.1681 -13.1681 -12.0711 -12.0711 -10.9766 -10.9766 -10.3414 -10.3414 -9.8766 -9.8766 -9.5163 -9.5163 -2.5154 -2.5154 -0.9178 -0.9178 0.7730 0.7730 0.8400 0.8400 2.1004 2.1004 2.3650 2.3650 3.2642 3.2642 3.5353 3.5353 4.2167 4.2167 4.7338 4.7338 5.2046 5.2046 5.2291 5.2291 5.4268 5.4268 6.0539 6.0539 6.1203 6.1203 6.4917 6.4917 6.8193 6.8193 7.0451 7.0451 8.0008 8.0008 8.1324 8.1324 8.6009 8.6009 9.0639 9.0639 9.3546 9.3546 12.5649 12.5649 12.6141 12.6141 15.8771 15.8771 16.0745 16.0745 16.7786 16.7786 k = 0.2370 0.4106 0.5365 ( 3196 PWs) bands (ev): -13.2120 -13.2120 -12.0160 -12.0160 -10.9641 -10.9641 -10.3647 -10.3647 -9.8580 -9.8580 -9.5166 -9.5166 -2.5864 -2.5864 -0.8573 -0.8573 0.7486 0.7486 0.8239 0.8239 2.1750 2.1750 2.2924 2.2924 3.2630 3.2630 3.5360 3.5360 4.2821 4.2821 4.6994 4.6994 5.1709 5.1709 5.2286 5.2286 5.4315 5.4315 6.0671 6.0671 6.1062 6.1062 6.4610 6.4610 6.8320 6.8320 7.0599 7.0599 8.0046 8.0046 8.1375 8.1375 8.5986 8.5986 9.0683 9.0683 9.3726 9.3726 12.5697 12.5697 12.6407 12.6407 15.8969 15.8969 16.0520 16.0520 16.8261 16.8261 k = 0.2296 0.3977 0.5365 ( 3196 PWs) bands (ev): -13.2553 -13.2553 -11.9602 -11.9602 -10.9511 -10.9511 -10.3881 -10.3881 -9.8396 -9.8396 -9.5169 -9.5169 -2.6574 -2.6574 -0.7977 -0.7977 0.7254 0.7254 0.8099 0.8099 2.2203 2.2203 2.2450 2.2450 3.2677 3.2677 3.5313 3.5313 4.3429 4.3429 4.6697 4.6697 5.1281 5.1281 5.2396 5.2396 5.4339 5.4339 6.0802 6.0802 6.0916 6.0916 6.4291 6.4291 6.8457 6.8457 7.0744 7.0744 8.0087 8.0087 8.1425 8.1425 8.5963 8.5963 9.0744 9.0744 9.3906 9.3906 12.5734 12.5734 12.6692 12.6692 15.9094 15.9094 16.0370 16.0370 16.8742 16.8742 k = 0.2222 0.3849 0.5365 ( 3192 PWs) bands (ev): -13.2979 -13.2979 -11.9036 -11.9036 -10.9376 -10.9376 -10.4115 -10.4115 -9.8214 -9.8214 -9.5173 -9.5173 -2.7286 -2.7286 -0.7390 -0.7390 0.7036 0.7036 0.7980 0.7980 2.1498 2.1498 2.3076 2.3076 3.2799 3.2799 3.5205 3.5205 4.3933 4.3933 4.6500 4.6500 5.0868 5.0868 5.2522 5.2522 5.4339 5.4339 6.0709 6.0709 6.0990 6.0990 6.3967 6.3967 6.8603 6.8603 7.0887 7.0887 8.0131 8.0131 8.1472 8.1472 8.5940 8.5940 9.0824 9.0824 9.4084 9.4084 12.5761 12.5761 12.6993 12.6993 15.9046 15.9046 16.0391 16.0391 16.9228 16.9228 k = 0.2148 0.3721 0.5365 ( 3192 PWs) bands (ev): -13.3399 -13.3399 -11.8465 -11.8465 -10.9239 -10.9239 -10.4347 -10.4347 -9.8035 -9.8035 -9.5178 -9.5178 -2.7997 -2.7997 -0.6812 -0.6812 0.6834 0.6834 0.7882 0.7882 2.0804 2.0804 2.3618 2.3618 3.3011 3.3011 3.5035 3.5035 4.4227 4.4227 4.6502 4.6502 5.0482 5.0482 5.2657 5.2657 5.4319 5.4319 6.0524 6.0524 6.1155 6.1155 6.3639 6.3639 6.8756 6.8756 7.1027 7.1027 8.0177 8.0177 8.1517 8.1517 8.5916 8.5916 9.0920 9.0920 9.4260 9.4260 12.5773 12.5773 12.7307 12.7307 15.8807 15.8807 16.0601 16.0601 16.9715 16.9715 k = 0.2074 0.3592 0.5365 ( 3200 PWs) bands (ev): -13.3810 -13.3810 -11.7888 -11.7888 -10.9098 -10.9098 -10.4579 -10.4579 -9.7859 -9.7859 -9.5184 -9.5184 -2.8708 -2.8708 -0.6244 -0.6244 0.6648 0.6648 0.7806 0.7806 2.0124 2.0124 2.4061 2.4061 3.3325 3.3325 3.4802 3.4802 4.4241 4.4241 4.6769 4.6769 5.0131 5.0131 5.2800 5.2800 5.4280 5.4280 6.0328 6.0328 6.1331 6.1331 6.3311 6.3311 6.8914 6.8914 7.1163 7.1163 8.0225 8.0225 8.1557 8.1557 8.5892 8.5892 9.1034 9.1034 9.4433 9.4433 12.5770 12.5770 12.7635 12.7635 15.8448 15.8448 16.0930 16.0930 17.0201 17.0201 k = 0.2000 0.3464 0.5365 ( 3196 PWs) bands (ev): -13.4213 -13.4213 -11.7307 -11.7307 -10.8955 -10.8955 -10.4807 -10.4807 -9.7687 -9.7687 -9.5191 -9.5191 -2.9417 -2.9417 -0.5685 -0.5685 0.6480 0.6480 0.7750 0.7750 1.9460 1.9460 2.4395 2.4395 3.3738 3.3738 3.4515 3.4515 4.4042 4.4042 4.7227 4.7227 4.9820 4.9820 5.2949 5.2949 5.4225 5.4225 6.0130 6.0130 6.1515 6.1515 6.2984 6.2984 6.9076 6.9076 7.1296 7.1296 8.0275 8.0275 8.1595 8.1595 8.5868 8.5868 9.1165 9.1165 9.4604 9.4604 12.5750 12.5750 12.7973 12.7973 15.8019 15.8019 16.1326 16.1326 17.0681 17.0681 k = 0.1926 0.3336 0.5365 ( 3190 PWs) bands (ev): -13.4607 -13.4607 -11.6723 -11.6723 -10.8811 -10.8811 -10.5032 -10.5032 -9.7520 -9.7520 -9.5199 -9.5199 -3.0124 -3.0124 -0.5134 -0.5134 0.6331 0.6331 0.7714 0.7714 1.8812 1.8812 2.4619 2.4619 3.4028 3.4028 3.4394 3.4394 4.3732 4.3732 4.7766 4.7766 4.9550 4.9550 5.3103 5.3103 5.4157 5.4157 5.9938 5.9938 6.1706 6.1706 6.2662 6.2662 6.9241 6.9241 7.1424 7.1424 8.0326 8.0326 8.1628 8.1628 8.5844 8.5844 9.1313 9.1313 9.4773 9.4773 12.5710 12.5710 12.8319 12.8319 15.7541 15.7541 16.1768 16.1768 17.1154 17.1154 k = 0.1852 0.3208 0.5365 ( 3192 PWs) bands (ev): -13.4990 -13.4990 -11.6137 -11.6137 -10.8666 -10.8666 -10.5253 -10.5253 -9.7357 -9.7357 -9.5209 -9.5209 -3.0827 -3.0827 -0.4592 -0.4592 0.6203 0.6203 0.7698 0.7698 1.8183 1.8183 2.4740 2.4740 3.3663 3.3663 3.4965 3.4965 4.3368 4.3368 4.8319 4.8319 4.9323 4.9323 5.3260 5.3260 5.4079 5.4079 5.9760 5.9760 6.1902 6.1902 6.2346 6.2346 6.9409 6.9409 7.1548 7.1548 8.0376 8.0376 8.1656 8.1656 8.5818 8.5818 9.1477 9.1477 9.4938 9.4938 12.5649 12.5649 12.8672 12.8672 15.7025 15.7025 16.2246 16.2246 17.1616 17.1616 k = 0.1778 0.3079 0.5365 ( 3196 PWs) bands (ev): -13.5362 -13.5362 -11.5550 -11.5550 -10.8522 -10.8522 -10.5469 -10.5469 -9.7199 -9.7199 -9.5220 -9.5220 -3.1525 -3.1525 -0.4059 -0.4059 0.6095 0.6095 0.7702 0.7702 1.7573 1.7573 2.4770 2.4770 3.3182 3.3182 3.5679 3.5679 4.2975 4.2975 4.8849 4.8849 4.9138 4.9138 5.3420 5.3420 5.3997 5.3997 5.9604 5.9604 6.2033 6.2033 6.2104 6.2104 6.9578 6.9578 7.1668 7.1668 8.0425 8.0425 8.1680 8.1680 8.5790 8.5790 9.1658 9.1658 9.5099 9.5099 12.5564 12.5564 12.9030 12.9030 15.6476 15.6476 16.2755 16.2755 17.2063 17.2063 k = 0.1704 0.2951 0.5365 ( 3196 PWs) bands (ev): -13.5723 -13.5723 -11.4965 -11.4965 -10.8380 -10.8380 -10.5678 -10.5678 -9.7048 -9.7048 -9.5232 -9.5232 -3.2218 -3.2218 -0.3534 -0.3534 0.6009 0.6009 0.7724 0.7724 1.6983 1.6983 2.4724 2.4724 3.2641 3.2641 3.6466 3.6466 4.2566 4.2566 4.8986 4.8986 4.9340 4.9340 5.3579 5.3579 5.3916 5.3916 5.9482 5.9482 6.1735 6.1735 6.2305 6.2305 6.9750 6.9750 7.1782 7.1782 8.0473 8.0473 8.1699 8.1699 8.5759 8.5759 9.1854 9.1854 9.5257 9.5257 12.5456 12.5456 12.9391 12.9391 15.5900 15.5900 16.3293 16.3293 17.2491 17.2491 k = 0.1630 0.2823 0.5365 ( 3200 PWs) bands (ev): -13.6072 -13.6072 -11.4381 -11.4381 -10.8240 -10.8240 -10.5880 -10.5880 -9.6902 -9.6902 -9.5246 -9.5246 -3.2903 -3.2903 -0.3017 -0.3017 0.5946 0.5946 0.7765 0.7765 1.6415 1.6415 2.4615 2.4615 3.2051 3.2051 3.7307 3.7307 4.2147 4.2147 4.8875 4.8875 4.9762 4.9762 5.3706 5.3706 5.3868 5.3868 5.9406 5.9406 6.1445 6.1445 6.2509 6.2509 6.9924 6.9924 7.1891 7.1891 8.0518 8.0518 8.1713 8.1713 8.5725 8.5725 9.2066 9.2066 9.5411 9.5411 12.5322 12.5322 12.9753 12.9753 15.5301 15.5301 16.3855 16.3855 17.2897 17.2897 k = 0.1556 0.2694 0.5365 ( 3190 PWs) bands (ev): -13.6409 -13.6409 -11.3801 -11.3801 -10.8105 -10.8105 -10.6072 -10.6072 -9.6764 -9.6764 -9.5261 -9.5261 -3.3579 -3.3579 -0.2508 -0.2508 0.5905 0.5905 0.7822 0.7822 1.5869 1.5869 2.4455 2.4455 3.1419 3.1419 3.8185 3.8185 4.1721 4.1721 4.8794 4.8794 5.0108 5.0108 5.3693 5.3693 5.3963 5.3963 5.9385 5.9385 6.1167 6.1167 6.2714 6.2714 7.0099 7.0099 7.1994 7.1994 8.0562 8.0562 8.1724 8.1724 8.5687 8.5687 9.2294 9.2294 9.5561 9.5561 12.5163 12.5163 13.0114 13.0114 15.4684 15.4684 16.4441 16.4441 17.3276 17.3276 k = 0.1481 0.2566 0.5365 ( 3190 PWs) bands (ev): -13.6733 -13.6733 -11.3226 -11.3226 -10.7976 -10.7976 -10.6253 -10.6253 -9.6633 -9.6633 -9.5278 -9.5278 -3.4245 -3.4245 -0.2008 -0.2008 0.5889 0.5889 0.7896 0.7896 1.5346 1.5346 2.4254 2.4254 3.0752 3.0752 3.9087 3.9087 4.1293 4.1293 4.8739 4.8739 5.0370 5.0370 5.3615 5.3615 5.4122 5.4122 5.9426 5.9426 6.0906 6.0906 6.2920 6.2920 7.0276 7.0276 7.2092 7.2092 8.0601 8.0601 8.1729 8.1729 8.5645 8.5645 9.2537 9.2537 9.5706 9.5706 12.4978 12.4978 13.0473 13.0473 15.4053 15.4053 16.5047 16.5047 17.3625 17.3625 k = 0.1407 0.2438 0.5365 ( 3194 PWs) bands (ev): -13.7043 -13.7043 -11.2658 -11.2658 -10.7859 -10.7859 -10.6419 -10.6419 -9.6509 -9.6509 -9.5295 -9.5295 -3.4899 -3.4899 -0.1516 -0.1516 0.5897 0.5897 0.7984 0.7984 1.4847 1.4847 2.4021 2.4021 3.0057 3.0057 3.9995 3.9995 4.0870 4.0870 4.8708 4.8708 5.0549 5.0549 5.3522 5.3522 5.4289 5.4289 5.9525 5.9525 6.0672 6.0672 6.3124 6.3124 7.0454 7.0454 7.2185 7.2185 8.0636 8.0636 8.1730 8.1730 8.5597 8.5597 9.2792 9.2792 9.5846 9.5846 12.4767 12.4767 13.0827 13.0827 15.3412 15.3412 16.5671 16.5671 17.3939 17.3939 k = 0.1333 0.2309 0.5365 ( 3194 PWs) bands (ev): -13.7340 -13.7340 -11.2099 -11.2099 -10.7757 -10.7757 -10.6564 -10.6564 -9.6393 -9.6393 -9.5314 -9.5314 -3.5538 -3.5538 -0.1032 -0.1032 0.5928 0.5928 0.8087 0.8087 1.4372 1.4372 2.3762 2.3762 2.9340 2.9340 4.0399 4.0399 4.0956 4.0956 4.8695 4.8695 5.0652 5.0652 5.3415 5.3415 5.4457 5.4457 5.9647 5.9647 6.0497 6.0497 6.3326 6.3326 7.0633 7.0633 7.2271 7.2271 8.0667 8.0667 8.1728 8.1728 8.5544 8.5544 9.3061 9.3061 9.5981 9.5981 12.4531 12.4531 13.1176 13.1176 15.2767 15.2767 16.6313 16.6313 17.4216 17.4216 k = 0.1259 0.2181 0.5365 ( 3194 PWs) bands (ev): -13.7622 -13.7622 -11.1551 -11.1551 -10.7681 -10.7681 -10.6679 -10.6679 -9.6285 -9.6285 -9.5333 -9.5333 -3.6161 -3.6161 -0.0558 -0.0558 0.5984 0.5984 0.8202 0.8202 1.3922 1.3922 2.3482 2.3482 2.8608 2.8608 3.9987 3.9987 4.1856 4.1856 4.8697 4.8697 5.0692 5.0692 5.3289 5.3289 5.4624 5.4624 5.9694 5.9694 6.0476 6.0476 6.3525 6.3525 7.0813 7.0813 7.2352 7.2352 8.0694 8.0694 8.1722 8.1722 8.5485 8.5485 9.3341 9.3341 9.6111 9.6111 12.4272 12.4272 13.1517 13.1517 15.2122 15.2122 16.6968 16.6968 17.4454 17.4454 k = 0.1185 0.2053 0.5365 ( 3194 PWs) bands (ev): -13.7890 -13.7890 -11.1015 -11.1015 -10.7643 -10.7643 -10.6752 -10.6752 -9.6186 -9.6186 -9.5354 -9.5354 -3.6766 -3.6766 -0.0094 -0.0094 0.6063 0.6063 0.8328 0.8328 1.3497 1.3497 2.3186 2.3186 2.7866 2.7866 3.9564 3.9564 4.2759 4.2759 4.8712 4.8712 5.0686 5.0686 5.3144 5.3144 5.4789 5.4789 5.9589 5.9589 6.0671 6.0671 6.3720 6.3720 7.0993 7.0993 7.2427 7.2427 8.0716 8.0716 8.1713 8.1713 8.5420 8.5420 9.3631 9.3631 9.6235 9.6235 12.3990 12.3990 13.1848 13.1848 15.1482 15.1482 16.7636 16.7636 17.4658 17.4658 k = 0.1111 0.1925 0.5365 ( 3198 PWs) bands (ev): -13.8144 -13.8144 -11.0493 -11.0493 -10.7651 -10.7651 -10.6775 -10.6775 -9.6095 -9.6095 -9.5375 -9.5375 -3.7350 -3.7350 0.0360 0.0360 0.6164 0.6164 0.8463 0.8463 1.3097 1.3097 2.2878 2.2878 2.7121 2.7121 3.9145 3.9145 4.3644 4.3644 4.8735 4.8735 5.0648 5.0648 5.2981 5.2981 5.4951 5.4951 5.9400 5.9400 6.1000 6.1000 6.3910 6.3910 7.1172 7.1172 7.2496 7.2496 8.0734 8.0734 8.1701 8.1701 8.5349 8.5349 9.3929 9.3929 9.6353 9.6353 12.3690 12.3690 13.2169 13.2169 15.0851 15.0851 16.8313 16.8313 17.4832 17.4832 k = 0.1037 0.1796 0.5365 ( 3190 PWs) bands (ev): -13.8382 -13.8382 -10.9989 -10.9989 -10.7702 -10.7702 -10.6752 -10.6752 -9.6013 -9.6013 -9.5396 -9.5396 -3.7912 -3.7912 0.0801 0.0801 0.6288 0.6288 0.8607 0.8607 1.2724 1.2724 2.2563 2.2563 2.6377 2.6377 3.8734 3.8734 4.4505 4.4505 4.8766 4.8766 5.0594 5.0594 5.2803 5.2803 5.5107 5.5107 5.9184 5.9184 6.1393 6.1393 6.4095 6.4095 7.1351 7.1351 7.2559 7.2559 8.0748 8.0748 8.1687 8.1687 8.5274 8.5274 9.4234 9.4234 9.6465 9.6465 12.3374 12.3374 13.2478 13.2478 15.0236 15.0236 16.8997 16.8997 17.4985 17.4985 k = 0.0963 0.1668 0.5365 ( 3176 PWs) bands (ev): -13.8605 -13.8605 -10.9504 -10.9504 -10.7780 -10.7780 -10.6696 -10.6696 -9.5940 -9.5940 -9.5417 -9.5417 -3.8448 -3.8448 0.1229 0.1229 0.6432 0.6432 0.8755 0.8755 1.2377 1.2377 2.2243 2.2243 2.5641 2.5641 3.8334 3.8334 4.5333 4.5333 4.8801 4.8801 5.0533 5.0533 5.2615 5.2615 5.5259 5.5259 5.8957 5.8957 6.1816 6.1816 6.4272 6.4272 7.1527 7.1527 7.2617 7.2617 8.0758 8.0758 8.1672 8.1672 8.5193 8.5193 9.4542 9.4542 9.6570 9.6570 12.3045 12.3045 13.2773 13.2773 14.9640 14.9640 16.9683 16.9683 17.5124 17.5124 k = 0.0889 0.1540 0.5365 ( 3172 PWs) bands (ev): -13.8812 -13.8812 -10.9041 -10.9041 -10.7873 -10.7873 -10.6623 -10.6623 -9.5875 -9.5875 -9.5438 -9.5438 -3.8957 -3.8957 0.1642 0.1642 0.6595 0.6595 0.8908 0.8908 1.2056 1.2056 2.1923 2.1923 2.4917 2.4917 3.7946 3.7946 4.6119 4.6119 4.8839 4.8839 5.0480 5.0480 5.2421 5.2421 5.5404 5.5404 5.8727 5.8727 6.2252 6.2252 6.4441 6.4441 7.1700 7.1700 7.2669 7.2669 8.0765 8.0765 8.1655 8.1655 8.5109 8.5109 9.4851 9.4851 9.6669 9.6669 12.2708 12.2708 13.3053 13.3053 14.9067 14.9067 17.0370 17.0370 17.5254 17.5254 k = 0.0815 0.1411 0.5365 ( 3176 PWs) bands (ev): -13.9004 -13.9004 -10.8602 -10.8602 -10.7969 -10.7969 -10.6543 -10.6543 -9.5819 -9.5819 -9.5459 -9.5459 -3.9436 -3.9436 0.2038 0.2038 0.6774 0.6774 0.9061 0.9061 1.1762 1.1762 2.1604 2.1604 2.4211 2.4211 3.7574 3.7574 4.6851 4.6851 4.8878 4.8878 5.0447 5.0447 5.2227 5.2227 5.5541 5.5541 5.8494 5.8494 6.2687 6.2687 6.4602 6.4602 7.1868 7.1868 7.2716 7.2716 8.0767 8.0767 8.1636 8.1636 8.5021 8.5021 9.5158 9.5158 9.6761 9.6761 12.2366 12.2366 13.3316 13.3316 14.8523 14.8523 17.1051 17.1051 17.5379 17.5379 k = 0.0741 0.1283 0.5365 ( 3170 PWs) bands (ev): -13.9179 -13.9179 -10.8197 -10.8197 -10.8058 -10.8058 -10.6460 -10.6460 -9.5770 -9.5770 -9.5479 -9.5479 -3.9883 -3.9883 0.2415 0.2415 0.6966 0.6966 0.9214 0.9214 1.1495 1.1495 2.1292 2.1292 2.3528 2.3528 3.7222 3.7222 4.7512 4.7512 4.8917 4.8917 5.0452 5.0452 5.2036 5.2036 5.5670 5.5670 5.8259 5.8259 6.3112 6.3112 6.4752 6.4752 7.2031 7.2031 7.2758 7.2758 8.0768 8.0768 8.1617 8.1617 8.4932 8.4932 9.5459 9.5459 9.6845 9.6845 12.2025 12.2025 13.3561 13.3561 14.8011 14.8011 17.1721 17.1721 17.5500 17.5500 k = 0.0667 0.1155 0.5365 ( 3170 PWs) bands (ev): -13.9338 -13.9338 -10.8161 -10.8161 -10.7802 -10.7802 -10.6380 -10.6380 -9.5730 -9.5730 -9.5498 -9.5498 -4.0295 -4.0295 0.2770 0.2770 0.7169 0.7169 0.9362 0.9362 1.1257 1.1257 2.0989 2.0989 2.2876 2.2876 3.6890 3.6890 4.8075 4.8075 4.8956 4.8956 5.0521 5.0521 5.1853 5.1853 5.5789 5.5789 5.8023 5.8023 6.3519 6.3519 6.4893 6.4893 7.2185 7.2185 7.2795 7.2795 8.0765 8.0765 8.1598 8.1598 8.4844 8.4844 9.5751 9.5751 9.6922 9.6922 12.1691 12.1691 13.3787 13.3787 14.7535 14.7535 17.2374 17.2374 17.5616 17.5616 k = 0.0593 0.1026 0.5365 ( 3166 PWs) bands (ev): -13.9481 -13.9481 -10.8243 -10.8243 -10.7453 -10.7453 -10.6303 -10.6303 -9.5698 -9.5698 -9.5515 -9.5515 -4.0671 -4.0671 0.3100 0.3100 0.7376 0.7376 0.9504 0.9504 1.1046 1.1046 2.0699 2.0699 2.2260 2.2260 3.6583 3.6583 4.8509 4.8509 4.8993 4.8993 5.0683 5.0683 5.1681 5.1681 5.5899 5.5899 5.7786 5.7786 6.3900 6.3900 6.5021 6.5021 7.2329 7.2329 7.2827 7.2827 8.0762 8.0762 8.1578 8.1578 8.4757 8.4757 9.6030 9.6030 9.6992 9.6992 12.1370 12.1370 13.3993 13.3993 14.7099 14.7099 17.3001 17.3001 17.5726 17.5726 k = 0.0519 0.0898 0.5365 ( 3166 PWs) bands (ev): -13.9608 -13.9608 -10.8319 -10.8319 -10.7139 -10.7139 -10.6231 -10.6231 -9.5672 -9.5672 -9.5530 -9.5530 -4.1008 -4.1008 0.3402 0.3402 0.7583 0.7583 0.9637 0.9637 1.0865 1.0865 2.0425 2.0425 2.1689 2.1689 3.6304 3.6304 4.8796 4.8796 4.9029 4.9029 5.0948 5.0948 5.1527 5.1527 5.5997 5.5997 5.7548 5.7548 6.4250 6.4250 6.5139 6.5139 7.2462 7.2462 7.2855 7.2855 8.0756 8.0756 8.1560 8.1560 8.4674 8.4674 9.6290 9.6290 9.7054 9.7054 12.1066 12.1066 13.4178 13.4178 14.6707 14.6707 17.3589 17.3589 17.5828 17.5828 k = 0.0444 0.0770 0.5365 ( 3166 PWs) bands (ev): -13.9718 -13.9718 -10.8385 -10.8385 -10.6863 -10.6863 -10.6163 -10.6163 -9.5653 -9.5653 -9.5543 -9.5543 -4.1305 -4.1305 0.3674 0.3674 0.7784 0.7784 0.9755 0.9755 1.0715 1.0715 2.0170 2.0170 2.1171 2.1171 3.6055 3.6055 4.8957 4.8957 4.9066 4.9066 5.1245 5.1245 5.1442 5.1442 5.6083 5.6083 5.7312 5.7312 6.4562 6.4562 6.5244 6.5244 7.2582 7.2582 7.2879 7.2879 8.0750 8.0750 8.1542 8.1542 8.4597 8.4597 9.6528 9.6528 9.7108 9.7108 12.0787 12.0787 13.4339 13.4339 14.6360 14.6360 17.4123 17.4123 17.5921 17.5921 k = 0.0370 0.0642 0.5365 ( 3162 PWs) bands (ev): -13.9811 -13.9811 -10.8443 -10.8443 -10.6631 -10.6631 -10.6100 -10.6100 -9.5640 -9.5640 -9.5553 -9.5553 -4.1559 -4.1559 0.3911 0.3911 0.7971 0.7971 0.9856 0.9856 1.0596 1.0596 1.9937 1.9937 2.0718 2.0718 3.5839 3.5839 4.9031 4.9031 4.9105 4.9105 5.1220 5.1220 5.1730 5.1730 5.6157 5.6157 5.7081 5.7081 6.4831 6.4831 6.5338 6.5338 7.2686 7.2686 7.2900 7.2900 8.0744 8.0744 8.1526 8.1526 8.4529 8.4529 9.6739 9.6739 9.7154 9.7154 12.0539 12.0539 13.4478 13.4478 14.6062 14.6062 17.4584 17.4584 17.6004 17.6004 k = 0.0296 0.0513 0.5365 ( 3158 PWs) bands (ev): -13.9887 -13.9887 -10.8490 -10.8490 -10.6445 -10.6445 -10.6039 -10.6039 -9.5632 -9.5632 -9.5559 -9.5559 -4.1769 -4.1769 0.4110 0.4110 0.8138 0.8138 0.9935 0.9935 1.0511 1.0511 1.9726 1.9726 2.0341 2.0341 3.5659 3.5659 4.9066 4.9066 4.9135 4.9135 5.1122 5.1122 5.2104 5.2104 5.6218 5.6218 5.6861 5.6861 6.5051 6.5051 6.5422 6.5422 7.2772 7.2772 7.2917 7.2917 8.0738 8.0738 8.1512 8.1512 8.4469 8.4469 9.6919 9.6919 9.7192 9.7192 12.0326 12.0326 13.4593 13.4593 14.5815 14.5815 17.4952 17.4952 17.6077 17.6077 k = 0.0222 0.0385 0.5365 ( 3162 PWs) bands (ev): -13.9947 -13.9947 -10.8527 -10.8527 -10.6310 -10.6310 -10.5980 -10.5980 -9.5629 -9.5629 -9.5563 -9.5563 -4.1934 -4.1934 0.4269 0.4269 0.8276 0.8276 0.9988 0.9988 1.0460 1.0460 1.9540 1.9540 2.0052 2.0052 3.5516 3.5516 4.9086 4.9086 4.9152 4.9152 5.1039 5.1039 5.2444 5.2444 5.6262 5.6262 5.6663 5.6663 6.5216 6.5216 6.5498 6.5498 7.2839 7.2839 7.2933 7.2933 8.0733 8.0733 8.1500 8.1500 8.4421 8.4421 9.7063 9.7063 9.7222 9.7222 12.0155 12.0155 13.4682 13.4682 14.5621 14.5621 17.5214 17.5214 17.6142 17.6142 k = 0.0148 0.0257 0.5365 ( 3158 PWs) bands (ev): -13.9989 -13.9989 -10.8554 -10.8554 -10.6223 -10.6223 -10.5926 -10.5926 -9.5628 -9.5628 -9.5564 -9.5564 -4.2052 -4.2052 0.4385 0.4385 0.8379 0.8379 1.0017 1.0017 1.0436 1.0436 1.9388 1.9388 1.9855 1.9855 3.5413 3.5413 4.9097 4.9097 4.9162 4.9162 5.0978 5.0978 5.2717 5.2717 5.6288 5.6288 5.6506 5.6506 6.5324 6.5324 6.5564 6.5564 7.2883 7.2883 7.2948 7.2948 8.0729 8.0729 8.1492 8.1492 8.4385 8.4385 9.7168 9.7168 9.7245 9.7245 12.0029 12.0029 13.4747 13.4747 14.5481 14.5481 17.5377 17.5377 17.6194 17.6194 k = 0.0074 0.0128 0.5365 ( 3154 PWs) bands (ev): -14.0015 -14.0015 -10.8570 -10.8570 -10.6177 -10.6177 -10.5888 -10.5888 -9.5628 -9.5628 -9.5565 -9.5565 -4.2124 -4.2124 0.4455 0.4455 0.8442 0.8442 1.0030 1.0030 1.0429 1.0429 1.9285 1.9285 1.9743 1.9743 3.5351 3.5351 4.9103 4.9103 4.9167 4.9167 5.0940 5.0940 5.2896 5.2896 5.6284 5.6284 5.6418 5.6418 6.5382 6.5382 6.5611 6.5611 7.2905 7.2905 7.2962 7.2962 8.0727 8.0727 8.1486 8.1486 8.4364 8.4364 9.7227 9.7227 9.7263 9.7263 11.9953 11.9953 13.4785 13.4785 14.5397 14.5397 17.5461 17.5461 17.6228 17.6228 k = 0.0000 0.0000 0.5365 ( 3150 PWs) bands (ev): -14.0023 -14.0023 -10.8575 -10.8575 -10.6163 -10.6163 -10.5874 -10.5874 -9.5629 -9.5629 -9.5565 -9.5565 -4.2147 -4.2147 0.4479 0.4479 0.8464 0.8464 1.0033 1.0033 1.0428 1.0428 1.9249 1.9249 1.9706 1.9706 3.5330 3.5330 4.9105 4.9105 4.9169 4.9169 5.0928 5.0928 5.2959 5.2959 5.6272 5.6272 5.6398 5.6398 6.5400 6.5400 6.5629 6.5629 7.2911 7.2911 7.2968 7.2968 8.0726 8.0726 8.1485 8.1485 8.4357 8.4357 9.7243 9.7243 9.7274 9.7274 11.9927 11.9927 13.4798 13.4798 14.5369 14.5369 17.5486 17.5486 17.6240 17.6240 k = 0.5000 0.2887 0.5365 ( 3208 PWs) bands (ev): -13.1060 -13.1060 -12.2060 -12.2060 -10.8880 -10.8880 -10.3000 -10.3000 -9.8918 -9.8918 -9.5687 -9.5687 -2.5763 -2.5763 -0.7815 -0.7815 0.3079 0.3079 1.6341 1.6341 2.0171 2.0171 2.4420 2.4420 2.5926 2.5926 3.9570 3.9570 4.3660 4.3660 4.5236 4.5236 5.1005 5.1005 5.2979 5.2979 5.6202 5.6202 5.6491 5.6491 6.2162 6.2162 6.6515 6.6515 6.7415 6.7415 6.9569 6.9569 7.9924 7.9924 8.1336 8.1336 8.6108 8.6108 9.0238 9.0238 9.3967 9.3967 12.3944 12.3944 12.8793 12.8793 15.7489 15.7489 16.1656 16.1656 17.4241 17.4241 k = 0.5000 0.2887 0.5216 ( 3208 PWs) bands (ev): -13.1063 -13.1063 -12.2063 -12.2063 -10.8881 -10.8881 -10.2995 -10.2995 -9.8913 -9.8913 -9.5685 -9.5685 -2.5764 -2.5764 -0.7816 -0.7816 0.3091 0.3091 1.6339 1.6339 2.0164 2.0164 2.4418 2.4418 2.5919 2.5919 3.9570 3.9570 4.3658 4.3658 4.5248 4.5248 5.0987 5.0987 5.2973 5.2973 5.6083 5.6083 5.6605 5.6605 6.2167 6.2167 6.6484 6.6484 6.7429 6.7429 6.9584 6.9584 7.9929 7.9929 8.1338 8.1338 8.6104 8.6104 9.0248 9.0248 9.3968 9.3968 12.3949 12.3949 12.8790 12.8790 15.7497 15.7497 16.1664 16.1664 17.4199 17.4199 k = 0.5000 0.2887 0.5067 ( 3216 PWs) bands (ev): -13.1072 -13.1072 -12.2074 -12.2074 -10.8886 -10.8886 -10.2978 -10.2978 -9.8895 -9.8895 -9.5682 -9.5682 -2.5764 -2.5764 -0.7820 -0.7820 0.3124 0.3124 1.6333 1.6333 2.0143 2.0143 2.4414 2.4414 2.5897 2.5897 3.9572 3.9572 4.3655 4.3655 4.5282 4.5282 5.0934 5.0934 5.2958 5.2958 5.5880 5.5880 5.6794 5.6794 6.2179 6.2179 6.6395 6.6395 6.7472 6.7472 6.9626 6.9626 7.9942 7.9942 8.1344 8.1344 8.6093 8.6093 9.0277 9.0277 9.3971 9.3971 12.3962 12.3962 12.8780 12.8780 15.7521 15.7521 16.1686 16.1686 17.4078 17.4078 k = 0.5000 0.2887 0.4918 ( 3204 PWs) bands (ev): -13.1087 -13.1087 -12.2091 -12.2091 -10.8895 -10.8895 -10.2951 -10.2951 -9.8866 -9.8866 -9.5675 -9.5675 -2.5766 -2.5766 -0.7825 -0.7825 0.3180 0.3180 1.6324 1.6324 2.0108 2.0108 2.4406 2.4406 2.5861 2.5861 3.9574 3.9574 4.3648 4.3648 4.5338 4.5338 5.0846 5.0846 5.2935 5.2935 5.5661 5.5661 5.6992 5.6992 6.2197 6.2197 6.6253 6.6253 6.7542 6.7542 6.9691 6.9691 7.9965 7.9965 8.1355 8.1355 8.6074 8.6074 9.0326 9.0326 9.3977 9.3977 12.3984 12.3984 12.8764 12.8764 15.7561 15.7561 16.1724 16.1724 17.3886 17.3886 k = 0.5000 0.2887 0.4769 ( 3208 PWs) bands (ev): -13.1107 -13.1107 -12.2115 -12.2115 -10.8907 -10.8907 -10.2913 -10.2913 -9.8825 -9.8825 -9.5666 -9.5666 -2.5768 -2.5768 -0.7833 -0.7833 0.3257 0.3257 1.6311 1.6311 2.0059 2.0059 2.4395 2.4395 2.5811 2.5811 3.9577 3.9577 4.3639 4.3639 4.5414 4.5414 5.0726 5.0726 5.2910 5.2910 5.5436 5.5436 5.7190 5.7190 6.2215 6.2215 6.6067 6.6067 6.7640 6.7640 6.9771 6.9771 7.9996 7.9996 8.1369 8.1369 8.6047 8.6047 9.0394 9.0394 9.3983 9.3983 12.4015 12.4015 12.8742 12.8742 15.7616 15.7616 16.1776 16.1776 17.3635 17.3635 k = 0.5000 0.2887 0.4620 ( 3196 PWs) bands (ev): -13.1133 -13.1133 -12.2146 -12.2146 -10.8922 -10.8922 -10.2864 -10.2864 -9.8774 -9.8774 -9.5654 -9.5654 -2.5770 -2.5770 -0.7843 -0.7843 0.3356 0.3356 1.6295 1.6295 1.9997 1.9997 2.4379 2.4379 2.5749 2.5749 3.9581 3.9581 4.3626 4.3626 4.5506 4.5506 5.0576 5.0576 5.2884 5.2884 5.5209 5.5209 5.7385 5.7385 6.2229 6.2229 6.5843 6.5843 6.7764 6.7764 6.9859 6.9859 8.0037 8.0037 8.1389 8.1389 8.6012 8.6012 9.0481 9.0481 9.3991 9.3991 12.4057 12.4057 12.8713 12.8713 15.7684 15.7684 16.1843 16.1843 17.3339 17.3339 k = 0.5000 0.2887 0.4471 ( 3196 PWs) bands (ev): -13.1165 -13.1165 -12.2183 -12.2183 -10.8940 -10.8940 -10.2806 -10.2806 -9.8712 -9.8712 -9.5640 -9.5640 -2.5772 -2.5772 -0.7855 -0.7855 0.3475 0.3475 1.6276 1.6276 1.9922 1.9922 2.4357 2.4357 2.5675 2.5675 3.9585 3.9585 4.3609 4.3609 4.5612 4.5612 5.0402 5.0402 5.2862 5.2862 5.4983 5.4983 5.7577 5.7577 6.2232 6.2232 6.5591 6.5591 6.7912 6.7912 6.9950 6.9950 8.0086 8.0086 8.1412 8.1412 8.5968 8.5968 9.0588 9.0588 9.3998 9.3998 12.4109 12.4109 12.8678 12.8678 15.7765 15.7765 16.1924 16.1924 17.3007 17.3007 k = 0.5000 0.2887 0.4322 ( 3194 PWs) bands (ev): -13.1201 -13.1201 -12.2226 -12.2226 -10.8961 -10.8961 -10.2738 -10.2738 -9.8640 -9.8640 -9.5624 -9.5624 -2.5775 -2.5775 -0.7869 -0.7869 0.3615 0.3615 1.6255 1.6255 1.9835 1.9835 2.4329 2.4329 2.5591 2.5591 3.9588 3.9588 4.3588 4.3588 4.5728 4.5728 5.0210 5.0210 5.2844 5.2844 5.4762 5.4762 5.7767 5.7767 6.2221 6.2221 6.5315 6.5315 6.8082 6.8082 7.0039 7.0039 8.0142 8.0142 8.1440 8.1440 8.5916 8.5916 9.0713 9.0713 9.4003 9.4003 12.4173 12.4173 12.8638 12.8638 15.7857 15.7857 16.2018 16.2018 17.2650 17.2650 k = 0.5000 0.2887 0.4173 ( 3194 PWs) bands (ev): -13.1242 -13.1242 -12.2274 -12.2274 -10.8984 -10.8984 -10.2661 -10.2661 -9.8559 -9.8559 -9.5607 -9.5607 -2.5778 -2.5778 -0.7885 -0.7885 0.3774 0.3774 1.6232 1.6232 1.9737 1.9737 2.4292 2.4292 2.5499 2.5499 3.9592 3.9592 4.3563 4.3563 4.5848 4.5848 5.0006 5.0006 5.2832 5.2832 5.4549 5.4549 5.7953 5.7953 6.2194 6.2194 6.5022 6.5022 6.8271 6.8271 7.0122 7.0122 8.0205 8.0205 8.1473 8.1473 8.5855 8.5855 9.0858 9.0858 9.4005 9.4005 12.4248 12.4248 12.8592 12.8592 15.7958 15.7958 16.2126 16.2126 17.2275 17.2275 k = 0.5000 0.2887 0.4024 ( 3198 PWs) bands (ev): -13.1287 -13.1287 -12.2327 -12.2327 -10.9010 -10.9010 -10.2576 -10.2576 -9.8469 -9.8469 -9.5587 -9.5587 -2.5781 -2.5781 -0.7902 -0.7902 0.3951 0.3951 1.6209 1.6209 1.9628 1.9628 2.4246 2.4246 2.5399 2.5399 3.9594 3.9594 4.3533 4.3533 4.5968 4.5968 4.9798 4.9798 5.2825 5.2825 5.4348 5.4348 5.8136 5.8136 6.2148 6.2148 6.4717 6.4717 6.8473 6.8473 7.0198 7.0198 8.0275 8.0275 8.1510 8.1510 8.5785 8.5785 9.1020 9.1020 9.4003 9.4003 12.4336 12.4336 12.8541 12.8541 15.8066 15.8066 16.2247 16.2247 17.1888 17.1888 k = 0.5000 0.2887 0.3875 ( 3202 PWs) bands (ev): -13.1336 -13.1336 -12.2384 -12.2384 -10.9039 -10.9039 -10.2484 -10.2484 -9.8371 -9.8371 -9.5566 -9.5566 -2.5784 -2.5784 -0.7920 -0.7920 0.4146 0.4146 1.6185 1.6185 1.9509 1.9509 2.4190 2.4190 2.5293 2.5293 3.9594 3.9594 4.3498 4.3498 4.6083 4.6083 4.9592 4.9592 5.2822 5.2822 5.4164 5.4164 5.8316 5.8316 6.2084 6.2084 6.4403 6.4403 6.8684 6.8684 7.0266 7.0266 8.0349 8.0349 8.1552 8.1552 8.5706 8.5706 9.1201 9.1201 9.3997 9.3997 12.4437 12.4437 12.8484 12.8484 15.8181 15.8181 16.2380 16.2380 17.1493 17.1493 k = 0.5000 0.2887 0.3726 ( 3196 PWs) bands (ev): -13.1389 -13.1389 -12.2446 -12.2446 -10.9069 -10.9069 -10.2384 -10.2384 -9.8265 -9.8265 -9.5543 -9.5543 -2.5787 -2.5787 -0.7940 -0.7940 0.4356 0.4356 1.6161 1.6161 1.9382 1.9382 2.4122 2.4122 2.5182 2.5182 3.9591 3.9591 4.3460 4.3460 4.6187 4.6187 4.9395 4.9395 5.2823 5.2823 5.4001 5.4001 5.8491 5.8491 6.2003 6.2003 6.4087 6.4087 6.8899 6.8899 7.0325 7.0325 8.0428 8.0428 8.1599 8.1599 8.5619 8.5619 9.1400 9.1400 9.3984 9.3984 12.4552 12.4552 12.8423 12.8423 15.8299 15.8299 16.2525 16.2525 17.1095 17.1095 k = 0.5000 0.2887 0.3577 ( 3200 PWs) bands (ev): -13.1444 -13.1444 -12.2510 -12.2510 -10.9101 -10.9101 -10.2279 -10.2279 -9.8154 -9.8154 -9.5519 -9.5519 -2.5790 -2.5790 -0.7961 -0.7961 0.4582 0.4582 1.6138 1.6138 1.9247 1.9247 2.4040 2.4040 2.5069 2.5069 3.9583 3.9583 4.3418 4.3418 4.6276 4.6276 4.9209 4.9209 5.2827 5.2827 5.3862 5.3862 5.8661 5.8661 6.1905 6.1905 6.3771 6.3771 6.9114 6.9114 7.0375 7.0375 8.0508 8.0508 8.1652 8.1652 8.5522 8.5522 9.1615 9.1615 9.3963 9.3963 12.4680 12.4680 12.8358 12.8358 15.8420 15.8420 16.2681 16.2681 17.0696 17.0696 k = 0.5000 0.2887 0.3428 ( 3206 PWs) bands (ev): -13.1502 -13.1502 -12.2578 -12.2578 -10.9135 -10.9135 -10.2169 -10.2169 -9.8037 -9.8037 -9.5495 -9.5495 -2.5792 -2.5792 -0.7982 -0.7982 0.4821 0.4821 1.6117 1.6117 1.9106 1.9106 2.3945 2.3945 2.4953 2.4953 3.9570 3.9570 4.3374 4.3374 4.6347 4.6347 4.9039 4.9039 5.2833 5.2833 5.3751 5.3751 5.8824 5.8824 6.1792 6.1792 6.3461 6.3461 6.9325 6.9325 7.0417 7.0417 8.0589 8.0589 8.1710 8.1710 8.5417 8.5417 9.1846 9.1846 9.3934 9.3934 12.4823 12.4823 12.8289 12.8289 15.8543 15.8543 16.2848 16.2848 17.0299 17.0299 k = 0.5000 0.2887 0.3279 ( 3206 PWs) bands (ev): -13.1562 -13.1562 -12.2648 -12.2648 -10.9170 -10.9170 -10.2054 -10.2054 -9.7915 -9.7915 -9.5470 -9.5470 -2.5794 -2.5794 -0.8004 -0.8004 0.5072 0.5072 1.6098 1.6098 1.8960 1.8960 2.3835 2.3835 2.4836 2.4836 3.9550 3.9550 4.3331 4.3331 4.6397 4.6397 4.8886 4.8886 5.2840 5.2840 5.3668 5.3668 5.8977 5.8977 6.1668 6.1668 6.3163 6.3163 6.9527 6.9527 7.0452 7.0452 8.0669 8.0669 8.1774 8.1774 8.5304 8.5304 9.2091 9.2091 9.3897 9.3897 12.4979 12.4979 12.8217 12.8217 15.8665 15.8665 16.3024 16.3024 16.9906 16.9906 k = 0.5000 0.2887 0.3129 ( 3210 PWs) bands (ev): -13.1624 -13.1624 -12.2719 -12.2719 -10.9206 -10.9206 -10.1936 -10.1936 -9.7789 -9.7789 -9.5444 -9.5444 -2.5796 -2.5796 -0.8026 -0.8026 0.5334 0.5334 1.6082 1.6082 1.8809 1.8809 2.3710 2.3710 2.4719 2.4719 3.9520 3.9520 4.3290 4.3290 4.6426 4.6426 4.8751 4.8751 5.2847 5.2847 5.3613 5.3613 5.9119 5.9119 6.1533 6.1533 6.2882 6.2882 6.9718 6.9718 7.0481 7.0481 8.0744 8.0744 8.1844 8.1844 8.5184 8.5184 9.2349 9.2349 9.3850 9.3850 12.5147 12.5147 12.8142 12.8142 15.8788 15.8788 16.3210 16.3210 16.9518 16.9518 k = 0.5000 0.2887 0.2980 ( 3198 PWs) bands (ev): -13.1686 -13.1686 -12.2791 -12.2791 -10.9243 -10.9243 -10.1815 -10.1815 -9.7661 -9.7661 -9.5419 -9.5419 -2.5797 -2.5797 -0.8049 -0.8049 0.5604 0.5604 1.6069 1.6069 1.8656 1.8656 2.3570 2.3570 2.4604 2.4604 3.9480 3.9480 4.3254 4.3254 4.6436 4.6436 4.8635 4.8635 5.2854 5.2854 5.3582 5.3582 5.9246 5.9246 6.1391 6.1391 6.2626 6.2626 6.9897 6.9897 7.0505 7.0505 8.0815 8.0815 8.1921 8.1921 8.5058 8.5058 9.2619 9.2619 9.3794 9.3794 12.5329 12.5329 12.8065 12.8065 15.8909 15.8909 16.3403 16.3403 16.9136 16.9136 k = 0.5000 0.2887 0.2831 ( 3206 PWs) bands (ev): -13.1749 -13.1749 -12.2864 -12.2864 -10.9280 -10.9280 -10.1692 -10.1692 -9.7531 -9.7531 -9.5394 -9.5394 -2.5798 -2.5798 -0.8071 -0.8071 0.5881 0.5881 1.6061 1.6061 1.8502 1.8502 2.3414 2.3414 2.4490 2.4490 3.9426 3.9426 4.3224 4.3224 4.6430 4.6430 4.8535 4.8535 5.2859 5.2859 5.3572 5.3572 5.9354 5.9354 6.1244 6.1244 6.2400 6.2400 7.0060 7.0060 7.0527 7.0527 8.0878 8.0878 8.2003 8.2003 8.4926 8.4926 9.2897 9.2897 9.3729 9.3729 12.5521 12.5521 12.7985 12.7985 15.9029 15.9029 16.3604 16.3604 16.8761 16.8761 k = 0.5000 0.2887 0.2682 ( 3196 PWs) bands (ev): -13.1812 -13.1812 -12.2937 -12.2937 -10.9317 -10.9317 -10.1570 -10.1570 -9.7400 -9.7400 -9.5369 -9.5369 -2.5798 -2.5798 -0.8094 -0.8094 0.6164 0.6164 1.6057 1.6057 1.8348 1.8348 2.3244 2.3244 2.4380 2.4380 3.9358 3.9358 4.3204 4.3204 4.6414 4.6414 4.8451 4.8451 5.2863 5.2863 5.3574 5.3574 5.9440 5.9440 6.1093 6.1093 6.2212 6.2212 7.0208 7.0208 7.0548 7.0548 8.0934 8.0934 8.2089 8.2089 8.4791 8.4791 9.3179 9.3179 9.3659 9.3659 12.5723 12.5723 12.7905 12.7905 15.9149 15.9149 16.3811 16.3811 16.8393 16.8393 k = 0.5000 0.2887 0.2533 ( 3194 PWs) bands (ev): -13.1875 -13.1875 -12.3009 -12.3009 -10.9354 -10.9354 -10.1447 -10.1447 -9.7269 -9.7269 -9.5345 -9.5345 -2.5797 -2.5797 -0.8116 -0.8116 0.6449 0.6449 1.6058 1.6058 1.8195 1.8195 2.3060 2.3060 2.4274 2.4274 3.9273 3.9273 4.3194 4.3194 4.6393 4.6393 4.8380 4.8380 5.2864 5.2864 5.3581 5.3581 5.9503 5.9503 6.0941 6.0941 6.2067 6.2067 7.0340 7.0340 7.0571 7.0571 8.0980 8.0980 8.2179 8.2179 8.4653 8.4653 9.3433 9.3433 9.3614 9.3614 12.5933 12.5933 12.7824 12.7824 15.9268 15.9268 16.4024 16.4024 16.8033 16.8033 k = 0.5000 0.2887 0.2384 ( 3194 PWs) bands (ev): -13.1937 -13.1937 -12.3080 -12.3080 -10.9390 -10.9390 -10.1325 -10.1325 -9.7138 -9.7138 -9.5323 -9.5323 -2.5796 -2.5796 -0.8137 -0.8137 0.6735 0.6735 1.6065 1.6065 1.8044 1.8044 2.2864 2.2864 2.4172 2.4172 3.9171 3.9171 4.3196 4.3196 4.6373 4.6373 4.8320 4.8320 5.2863 5.2863 5.3583 5.3583 5.9544 5.9544 6.0791 6.0791 6.1967 6.1967 7.0454 7.0454 7.0598 7.0598 8.1015 8.1015 8.2269 8.2269 8.4514 8.4514 9.3444 9.3444 9.3805 9.3805 12.6149 12.6149 12.7742 12.7742 15.9387 15.9387 16.4240 16.4240 16.7680 16.7680 k = 0.5000 0.2887 0.2235 ( 3198 PWs) bands (ev): -13.1997 -13.1997 -12.3150 -12.3150 -10.9426 -10.9426 -10.1206 -10.1206 -9.7010 -9.7010 -9.5301 -9.5301 -2.5795 -2.5795 -0.8158 -0.8158 0.7020 0.7020 1.6077 1.6077 1.7897 1.7897 2.2656 2.2656 2.4076 2.4076 3.9052 3.9052 4.3211 4.3211 4.6361 4.6361 4.8270 4.8270 5.2858 5.2858 5.3572 5.3572 5.9567 5.9567 6.0643 6.0643 6.1912 6.1912 7.0549 7.0549 7.0632 7.0632 8.1040 8.1040 8.2358 8.2358 8.4377 8.4377 9.3354 9.3354 9.4091 9.4091 12.6369 12.6369 12.7661 12.7661 15.9508 15.9508 16.4459 16.4459 16.7336 16.7336 k = 0.5000 0.2887 0.2086 ( 3190 PWs) bands (ev): -13.2056 -13.2056 -12.3217 -12.3217 -10.9461 -10.9461 -10.1090 -10.1090 -9.6884 -9.6884 -9.5281 -9.5281 -2.5793 -2.5793 -0.8178 -0.8178 0.7302 0.7302 1.6095 1.6095 1.7755 1.7755 2.2438 2.2438 2.3986 2.3986 3.8916 3.8916 4.3239 4.3239 4.6361 4.6361 4.8226 4.8226 5.2850 5.2850 5.3542 5.3542 5.9580 5.9580 6.0500 6.0500 6.1895 6.1895 7.0621 7.0621 7.0682 7.0682 8.1054 8.1054 8.2444 8.2444 8.4245 8.4245 9.3252 9.3252 9.4383 9.4383 12.6591 12.6591 12.7581 12.7581 15.9633 15.9633 16.4676 16.4676 16.7004 16.7004 k = 0.5000 0.2887 0.1937 ( 3190 PWs) bands (ev): -13.2112 -13.2112 -12.3282 -12.3282 -10.9494 -10.9494 -10.0978 -10.0978 -9.6761 -9.6761 -9.5263 -9.5263 -2.5790 -2.5790 -0.8197 -0.8197 0.7578 0.7578 1.6119 1.6119 1.7620 1.7620 2.2214 2.2214 2.3904 2.3904 3.8764 3.8764 4.3281 4.3281 4.6375 4.6375 4.8188 4.8188 5.2838 5.2838 5.3487 5.3487 5.9592 5.9592 6.0364 6.0364 6.1908 6.1908 7.0674 7.0674 7.0743 7.0743 8.1057 8.1057 8.2523 8.2523 8.4120 8.4120 9.3144 9.3144 9.4671 9.4671 12.6812 12.6812 12.7503 12.7503 15.9760 15.9760 16.4884 16.4884 16.6688 16.6688 k = 0.5000 0.2887 0.1788 ( 3198 PWs) bands (ev): -13.2166 -13.2166 -12.3343 -12.3343 -10.9526 -10.9526 -10.0870 -10.0870 -9.6642 -9.6642 -9.5247 -9.5247 -2.5788 -2.5788 -0.8214 -0.8214 0.7846 0.7846 1.6148 1.6148 1.7492 1.7492 2.1984 2.1984 2.3828 2.3828 3.8599 3.8599 4.3334 4.3334 4.6407 4.6407 4.8152 4.8152 5.2823 5.2823 5.3404 5.3404 5.9610 5.9610 6.0234 6.0234 6.1942 6.1942 7.0725 7.0725 7.0800 7.0800 8.1049 8.1049 8.2593 8.2593 8.4005 8.4005 9.3032 9.3032 9.4952 9.4952 12.7030 12.7030 12.7427 12.7427 15.9894 15.9894 16.5070 16.5070 16.6404 16.6404 k = 0.5000 0.2887 0.1639 ( 3190 PWs) bands (ev): -13.2217 -13.2217 -12.3401 -12.3401 -10.9556 -10.9556 -10.0768 -10.0768 -9.6529 -9.6529 -9.5233 -9.5233 -2.5785 -2.5785 -0.8231 -0.8231 0.8103 0.8103 1.6182 1.6182 1.7373 1.7373 2.1752 2.1752 2.3761 2.3761 3.8425 3.8425 4.3398 4.3398 4.6457 4.6457 4.8119 4.8119 5.2806 5.2806 5.3293 5.3293 5.9638 5.9638 6.0114 6.0114 6.1989 6.1989 7.0779 7.0779 7.0851 7.0851 8.1031 8.1031 8.2651 8.2651 8.3906 8.3906 9.2920 9.2920 9.5223 9.5223 12.7240 12.7240 12.7357 12.7357 16.0034 16.0034 16.5191 16.5191 16.6192 16.6192 k = 0.5000 0.2887 0.1490 ( 3186 PWs) bands (ev): -13.2265 -13.2265 -12.3456 -12.3456 -10.9585 -10.9585 -10.0672 -10.0672 -9.6421 -9.6421 -9.5222 -9.5222 -2.5782 -2.5782 -0.8246 -0.8246 0.8348 0.8348 1.6219 1.6219 1.7264 1.7264 2.1521 2.1521 2.3701 2.3701 3.8245 3.8245 4.3472 4.3472 4.6525 4.6525 4.8086 4.8086 5.2786 5.2786 5.3156 5.3156 5.9678 5.9678 6.0003 6.0003 6.2043 6.2043 7.0838 7.0838 7.0894 7.0894 8.1001 8.1001 8.2694 8.2694 8.3825 8.3825 9.2810 9.2810 9.5482 9.5482 12.7281 12.7281 12.7451 12.7451 16.0183 16.0183 16.5171 16.5171 16.6127 16.6127 k = 0.5000 0.2887 0.1341 ( 3190 PWs) bands (ev): -13.2309 -13.2309 -12.3506 -12.3506 -10.9611 -10.9611 -10.0583 -10.0583 -9.6319 -9.6319 -9.5213 -9.5213 -2.5779 -2.5779 -0.8260 -0.8260 0.8578 0.8578 1.6257 1.6257 1.7169 1.7169 2.1293 2.1293 2.3649 2.3649 3.8063 3.8063 4.3552 4.3552 4.6609 4.6609 4.8053 4.8053 5.2763 5.2763 5.2998 5.2998 5.9727 5.9727 5.9905 5.9905 6.2100 6.2100 7.0894 7.0894 7.0937 7.0937 8.0963 8.0963 8.2720 8.2720 8.3764 8.3764 9.2703 9.2703 9.5724 9.5724 12.7217 12.7217 12.7643 12.7643 16.0341 16.0341 16.4994 16.4994 16.6223 16.6223 k = 0.5000 0.2887 0.1192 ( 3194 PWs) bands (ev): -13.2349 -13.2349 -12.3552 -12.3552 -10.9635 -10.9635 -10.0501 -10.0501 -9.6224 -9.6224 -9.5206 -9.5206 -2.5776 -2.5776 -0.8273 -0.8273 0.8791 0.8791 1.6295 1.6295 1.7089 1.7089 2.1072 2.1072 2.3605 2.3605 3.7884 3.7884 4.3636 4.3636 4.6706 4.6706 4.8020 4.8020 5.2738 5.2738 5.2826 5.2826 5.9764 5.9764 5.9838 5.9838 6.2155 6.2155 7.0934 7.0934 7.0994 7.0994 8.0916 8.0916 8.2730 8.2730 8.3724 8.3724 9.2601 9.2601 9.5949 9.5949 12.7156 12.7156 12.7823 12.7823 16.0508 16.0508 16.4736 16.4736 16.6405 16.6405 k = 0.5000 0.2887 0.1043 ( 3192 PWs) bands (ev): -13.2385 -13.2385 -12.3593 -12.3593 -10.9657 -10.9657 -10.0428 -10.0428 -9.6137 -9.6137 -9.5202 -9.5202 -2.5773 -2.5773 -0.8284 -0.8284 0.8984 0.8984 1.6328 1.6328 1.7026 1.7026 2.0862 2.0862 2.3568 2.3568 3.7713 3.7713 4.3722 4.3722 4.6812 4.6812 4.7986 4.7986 5.2636 5.2636 5.2723 5.2723 5.9717 5.9717 5.9871 5.9871 6.2206 6.2206 7.0958 7.0958 7.1063 7.1063 8.0863 8.0863 8.2726 8.2726 8.3703 8.3703 9.2506 9.2506 9.6153 9.6153 12.7101 12.7101 12.7989 12.7989 16.0686 16.0686 16.4449 16.4449 16.6619 16.6619 k = 0.5000 0.2887 0.0894 ( 3194 PWs) bands (ev): -13.2417 -13.2417 -12.3629 -12.3629 -10.9676 -10.9676 -10.0363 -10.0363 -9.6059 -9.6059 -9.5200 -9.5200 -2.5770 -2.5770 -0.8294 -0.8294 0.9157 0.9157 1.6354 1.6354 1.6983 1.6983 2.0666 2.0666 2.3537 2.3537 3.7554 3.7554 4.3805 4.3805 4.6924 4.6924 4.7953 4.7953 5.2454 5.2454 5.2699 5.2699 5.9652 5.9652 5.9933 5.9933 6.2252 6.2252 7.0974 7.0974 7.1134 7.1134 8.0806 8.0806 8.2713 8.2713 8.3696 8.3696 9.2420 9.2420 9.6334 9.6334 12.7053 12.7053 12.8136 12.8136 16.0875 16.0875 16.4153 16.4153 16.6844 16.6844 k = 0.5000 0.2887 0.0745 ( 3194 PWs) bands (ev): -13.2444 -13.2444 -12.3659 -12.3659 -10.9692 -10.9692 -10.0307 -10.0307 -9.5990 -9.5990 -9.5200 -9.5200 -2.5767 -2.5767 -0.8303 -0.8303 0.9306 0.9306 1.6369 1.6369 1.6960 1.6960 2.0488 2.0488 2.3513 2.3513 3.7411 3.7411 4.3884 4.3884 4.7035 4.7035 4.7921 4.7921 5.2278 5.2278 5.2678 5.2678 5.9595 5.9595 5.9994 5.9994 6.2292 6.2292 7.0985 7.0985 7.1202 7.1202 8.0750 8.0750 8.2695 8.2695 8.3699 8.3699 9.2345 9.2345 9.6491 9.6491 12.7010 12.7010 12.8265 12.8265 16.1075 16.1075 16.3857 16.3857 16.7069 16.7069 k = 0.5000 0.2887 0.0596 ( 3182 PWs) bands (ev): -13.2467 -13.2467 -12.3685 -12.3685 -10.9705 -10.9705 -10.0261 -10.0261 -9.5932 -9.5932 -9.5202 -9.5202 -2.5765 -2.5765 -0.8309 -0.8309 0.9430 0.9430 1.6374 1.6374 1.6955 1.6955 2.0334 2.0334 2.3495 2.3495 3.7289 3.7289 4.3955 4.3955 4.7141 4.7141 4.7891 4.7891 5.2116 5.2116 5.2660 5.2660 5.9548 5.9548 6.0050 6.0050 6.2324 6.2324 7.0994 7.0994 7.1264 7.1264 8.0699 8.0699 8.2677 8.2677 8.3708 8.3708 9.2282 9.2282 9.6623 9.6623 12.6975 12.6975 12.8373 12.8373 16.1283 16.1283 16.3566 16.3566 16.7283 16.7283 k = 0.5000 0.2887 0.0447 ( 3190 PWs) bands (ev): -13.2485 -13.2485 -12.3705 -12.3705 -10.9716 -10.9716 -10.0225 -10.0225 -9.5885 -9.5885 -9.5205 -9.5205 -2.5764 -2.5764 -0.8315 -0.8315 0.9528 0.9528 1.6371 1.6371 1.6963 1.6963 2.0207 2.0207 2.3481 2.3481 3.7190 3.7190 4.4013 4.4013 4.7233 4.7233 4.7866 4.7866 5.1978 5.1978 5.2645 5.2645 5.9512 5.9512 6.0097 6.0097 6.2349 6.2349 7.0999 7.0999 7.1315 7.1315 8.0653 8.0653 8.2660 8.2660 8.3717 8.3717 9.2230 9.2230 9.6726 9.6726 12.6947 12.6947 12.8458 12.8458 16.1496 16.1496 16.3286 16.3286 16.7477 16.7477 k = 0.5000 0.2887 0.0298 ( 3196 PWs) bands (ev): -13.2497 -13.2497 -12.3719 -12.3719 -10.9724 -10.9724 -10.0199 -10.0199 -9.5850 -9.5850 -9.5207 -9.5207 -2.5762 -2.5762 -0.8319 -0.8319 0.9599 0.9599 1.6366 1.6366 1.6975 1.6975 2.0112 2.0112 2.3472 2.3472 3.7117 3.7117 4.4058 4.4058 4.7305 4.7305 4.7846 4.7846 5.1873 5.1873 5.2634 5.2634 5.9486 5.9486 6.0132 6.0132 6.2367 6.2367 7.1002 7.1002 7.1355 7.1355 8.0617 8.0617 8.2647 8.2647 8.3725 8.3725 9.2193 9.2193 9.6800 9.6800 12.6927 12.6927 12.8519 12.8519 16.1706 16.1706 16.3027 16.3027 16.7635 16.7635 k = 0.5000 0.2887 0.0149 ( 3196 PWs) bands (ev): -13.2505 -13.2505 -12.3728 -12.3728 -10.9728 -10.9728 -10.0184 -10.0184 -9.5829 -9.5829 -9.5209 -9.5209 -2.5761 -2.5761 -0.8321 -0.8321 0.9642 0.9642 1.6361 1.6361 1.6985 1.6985 2.0053 2.0053 2.3466 2.3466 3.7073 3.7073 4.4085 4.4085 4.7351 4.7351 4.7834 4.7834 5.1806 5.1806 5.2628 5.2628 5.9471 5.9471 6.0153 6.0153 6.2378 6.2378 7.1004 7.1004 7.1379 7.1379 8.0595 8.0595 8.2639 8.2639 8.3731 8.3731 9.2170 9.2170 9.6845 9.6845 12.6915 12.6915 12.8557 12.8557 16.1888 16.1888 16.2815 16.2815 16.7740 16.7740 k = 0.5000 0.2887-0.0000 ( 3202 PWs) bands (ev): -13.2507 -13.2507 -12.3731 -12.3731 -10.9730 -10.9730 -10.0179 -10.0179 -9.5822 -9.5822 -9.5210 -9.5210 -2.5761 -2.5761 -0.8322 -0.8322 0.9656 0.9656 1.6359 1.6359 1.6989 1.6989 2.0033 2.0033 2.3464 2.3464 3.7058 3.7058 4.4094 4.4094 4.7367 4.7367 4.7830 4.7830 5.1783 5.1783 5.2625 5.2625 5.9465 5.9465 6.0160 6.0160 6.2382 6.2382 7.1005 7.1005 7.1388 7.1388 8.0587 8.0587 8.2636 8.2636 8.3732 8.3732 9.2163 9.2163 9.6860 9.6860 12.6911 12.6911 12.8569 12.8569 16.1972 16.1972 16.2722 16.2722 16.7778 16.7778 k = 0.3333 0.5774-0.0000 ( 3168 PWs) bands (ev): -12.7891 -12.7891 -12.7802 -12.7802 -11.2169 -11.2169 -9.8506 -9.8506 -9.8490 -9.8490 -9.3093 -9.3093 -1.6698 -1.6698 -1.6612 -1.6612 1.1926 1.1926 1.2288 1.2288 1.4792 1.4792 2.7698 2.7698 2.7825 2.7825 3.0783 3.0783 3.6659 3.6659 4.5383 4.5383 5.1568 5.1568 5.1585 5.1585 5.7570 5.7570 5.8246 5.8246 5.8271 5.8271 6.9324 6.9324 6.9483 6.9483 6.9616 6.9616 8.1096 8.1096 8.1451 8.1451 8.2787 8.2787 9.5492 9.5492 9.5614 9.5614 12.8137 12.8137 12.8161 12.8161 15.7203 15.7203 15.8070 15.8070 16.3480 16.3480 k = 0.3333 0.5774 0.0149 ( 3168 PWs) bands (ev): -12.7888 -12.7888 -12.7799 -12.7799 -11.2189 -11.2189 -9.8513 -9.8513 -9.8498 -9.8498 -9.3050 -9.3050 -1.6611 -1.6611 -1.6524 -1.6524 1.1665 1.1665 1.2027 1.2027 1.4292 1.4292 2.7809 2.7809 2.7933 2.7933 3.0777 3.0777 3.6897 3.6897 4.6024 4.6024 5.1623 5.1623 5.1632 5.1632 5.7586 5.7586 5.8270 5.8270 5.8293 5.8293 6.9068 6.9068 6.9596 6.9596 6.9733 6.9733 8.1183 8.1183 8.1530 8.1530 8.2827 8.2827 9.5228 9.5228 9.5342 9.5342 12.8300 12.8300 12.8324 12.8324 15.6952 15.6952 15.7821 15.7821 16.2690 16.2690 k = 0.3333 0.5774 0.0298 ( 3168 PWs) bands (ev): -12.7881 -12.7881 -12.7791 -12.7791 -11.2203 -11.2203 -9.8529 -9.8529 -9.8515 -9.8515 -9.3015 -9.3015 -1.6526 -1.6526 -1.6436 -1.6436 1.1409 1.1409 1.1771 1.1771 1.3804 1.3804 2.7935 2.7935 2.8055 2.8055 3.0775 3.0775 3.7132 3.7132 4.6668 4.6668 5.1646 5.1646 5.1646 5.1646 5.7596 5.7596 5.8337 5.8337 5.8356 5.8356 6.8803 6.8803 6.9708 6.9708 6.9848 6.9848 8.1262 8.1262 8.1609 8.1609 8.2876 8.2876 9.4951 9.4951 9.5055 9.5055 12.8442 12.8442 12.8467 12.8467 15.6732 15.6732 15.7600 15.7600 16.1911 16.1911 k = 0.3333 0.5774 0.0447 ( 3180 PWs) bands (ev): -12.7868 -12.7868 -12.7778 -12.7778 -11.2213 -11.2213 -9.8554 -9.8554 -9.8540 -9.8540 -9.2987 -9.2987 -1.6443 -1.6443 -1.6352 -1.6352 1.1160 1.1160 1.1521 1.1521 1.3331 1.3331 2.8076 2.8076 2.8192 2.8192 3.0778 3.0778 3.7361 3.7361 4.7309 4.7309 5.1631 5.1631 5.1638 5.1638 5.7597 5.7597 5.8442 5.8442 5.8457 5.8457 6.8532 6.8532 6.9816 6.9816 6.9960 6.9960 8.1332 8.1332 8.1687 8.1687 8.2932 8.2932 9.4664 9.4664 9.4756 9.4756 12.8562 12.8562 12.8588 12.8588 15.6542 15.6542 15.7408 15.7408 16.1147 16.1147 k = 0.3333 0.5774 0.0596 ( 3171 PWs) bands (ev): -12.7851 -12.7851 -12.7761 -12.7761 -11.2216 -11.2216 -9.8588 -9.8588 -9.8575 -9.8575 -9.2968 -9.2968 -1.6363 -1.6363 -1.6270 -1.6270 1.0919 1.0919 1.1278 1.1278 1.2876 1.2876 2.8230 2.8230 2.8343 2.8343 3.0786 3.0786 3.7584 3.7584 4.7948 4.7948 5.1591 5.1591 5.1604 5.1604 5.7592 5.7592 5.8582 5.8582 5.8591 5.8591 6.8259 6.8259 6.9923 6.9923 7.0068 7.0068 8.1393 8.1393 8.1767 8.1767 8.2994 8.2994 9.4369 9.4369 9.4448 9.4448 12.8661 12.8661 12.8687 12.8687 15.6383 15.6383 15.7243 15.7243 16.0401 16.0401 k = 0.3333 0.5774 0.0745 ( 3168 PWs) bands (ev): -12.7829 -12.7829 -12.7738 -12.7738 -11.2214 -11.2214 -9.8630 -9.8630 -9.8617 -9.8617 -9.2956 -9.2956 -1.6286 -1.6286 -1.6191 -1.6191 1.0687 1.0687 1.1044 1.1044 1.2440 1.2440 2.8396 2.8396 2.8507 2.8507 3.0799 3.0799 3.7798 3.7798 4.8580 4.8580 5.1529 5.1529 5.1548 5.1548 5.7580 5.7580 5.8750 5.8750 5.8752 5.8752 6.7984 6.7984 7.0026 7.0026 7.0172 7.0172 8.1444 8.1444 8.1846 8.1846 8.3061 8.3061 9.4067 9.4067 9.4133 9.4133 12.8737 12.8737 12.8764 12.8764 15.6254 15.6254 15.7103 15.7103 15.9678 15.9678 k = 0.3333 0.5774 0.0894 ( 3165 PWs) bands (ev): -12.7802 -12.7802 -12.7712 -12.7712 -11.2206 -11.2206 -9.8679 -9.8679 -9.8668 -9.8668 -9.2953 -9.2953 -1.6214 -1.6214 -1.6117 -1.6117 1.0467 1.0467 1.0820 1.0820 1.2025 1.2025 2.8574 2.8574 2.8681 2.8681 3.0817 3.0817 3.8000 3.8000 4.9203 4.9203 5.1450 5.1450 5.1474 5.1474 5.7560 5.7560 5.8935 5.8935 5.8941 5.8941 6.7711 6.7711 7.0126 7.0126 7.0272 7.0272 8.1484 8.1484 8.1924 8.1924 8.3130 8.3130 9.3762 9.3762 9.3813 9.3813 12.8790 12.8790 12.8818 12.8818 15.6156 15.6156 15.6983 15.6983 15.8987 15.8987 k = 0.3333 0.5774 0.1043 ( 3165 PWs) bands (ev): -12.7771 -12.7771 -12.7680 -12.7680 -11.2192 -11.2192 -9.8737 -9.8737 -9.8727 -9.8727 -9.2958 -9.2958 -1.6147 -1.6147 -1.6048 -1.6048 1.0258 1.0258 1.0607 1.0607 1.1634 1.1634 2.8763 2.8763 2.8867 2.8867 3.0840 3.0840 3.8190 3.8190 4.9815 4.9815 5.1360 5.1360 5.1388 5.1388 5.7533 5.7533 5.9133 5.9133 5.9148 5.9148 6.7440 6.7440 7.0222 7.0222 7.0367 7.0367 8.1513 8.1513 8.2000 8.2000 8.3202 8.3202 9.3456 9.3456 9.3491 9.3491 12.8821 12.8821 12.8850 12.8850 15.6088 15.6088 15.6869 15.6869 15.8343 15.8343 k = 0.3333 0.5774 0.1192 ( 3165 PWs) bands (ev): -12.7736 -12.7736 -12.7645 -12.7645 -11.2173 -11.2173 -9.8802 -9.8802 -9.8792 -9.8792 -9.2971 -9.2971 -1.6085 -1.6085 -1.5984 -1.5984 1.0063 1.0063 1.0406 1.0406 1.1267 1.1267 2.8962 2.8962 2.9062 2.9062 3.0868 3.0868 3.8365 3.8365 5.0414 5.0414 5.1263 5.1263 5.1295 5.1295 5.7499 5.7499 5.9341 5.9341 5.9365 5.9365 6.7173 6.7173 7.0313 7.0313 7.0456 7.0456 8.1530 8.1530 8.2072 8.2072 8.3278 8.3278 9.3152 9.3152 9.3170 9.3170 12.8830 12.8830 12.8861 12.8861 15.6050 15.6050 15.6724 15.6724 15.7786 15.7786 k = 0.3333 0.5774 0.1341 ( 3168 PWs) bands (ev): -12.7697 -12.7697 -12.7605 -12.7605 -11.2149 -11.2149 -9.8874 -9.8874 -9.8865 -9.8865 -9.2992 -9.2992 -1.6029 -1.6029 -1.5927 -1.5927 0.9882 0.9882 1.0217 1.0217 1.0927 1.0927 2.9170 2.9170 2.9265 2.9265 3.0901 3.0901 3.8524 3.8524 5.0991 5.0991 5.1170 5.1170 5.1197 5.1197 5.7459 5.7459 5.9554 5.9554 5.9587 5.9587 6.6911 6.6911 7.0398 7.0398 7.0537 7.0537 8.1535 8.1535 8.2139 8.2139 8.3357 8.3357 9.2852 9.2852 9.2852 9.2852 12.8818 12.8818 12.8850 12.8850 15.6040 15.6040 15.6460 15.6460 15.7406 15.7406 k = 0.3333 0.5774 0.1490 ( 3174 PWs) bands (ev): -12.7654 -12.7654 -12.7562 -12.7562 -11.2119 -11.2119 -9.8952 -9.8952 -9.8944 -9.8944 -9.3021 -9.3021 -1.5979 -1.5979 -1.5876 -1.5876 0.9716 0.9716 1.0039 1.0039 1.0617 1.0617 2.9385 2.9385 2.9474 2.9474 3.0940 3.0940 3.8665 3.8665 5.1055 5.1055 5.1100 5.1100 5.1575 5.1575 5.7412 5.7412 5.9767 5.9767 5.9810 5.9810 6.6654 6.6654 7.0477 7.0477 7.0612 7.0612 8.1528 8.1528 8.2198 8.2198 8.3439 8.3439 9.2541 9.2541 9.2559 9.2559 12.8787 12.8787 12.8820 12.8820 15.6037 15.6037 15.6058 15.6058 15.7245 15.7245 k = 0.3333 0.5774 0.1639 ( 3162 PWs) bands (ev): -12.7608 -12.7608 -12.7516 -12.7516 -11.2084 -11.2084 -9.9037 -9.9037 -9.9029 -9.9029 -9.3058 -9.3058 -1.5936 -1.5936 -1.5831 -1.5831 0.9566 0.9566 0.9872 0.9872 1.0338 1.0338 2.9607 2.9607 2.9687 2.9687 3.0985 3.0985 3.8786 3.8786 5.0960 5.0960 5.1007 5.1007 5.2125 5.2125 5.7359 5.7359 5.9977 5.9977 6.0029 6.0029 6.6404 6.6404 7.0549 7.0549 7.0678 7.0678 8.1509 8.1509 8.2249 8.2249 8.3526 8.3526 9.2239 9.2239 9.2276 9.2276 12.8737 12.8737 12.8771 12.8771 15.5544 15.5544 15.6103 15.6103 15.7216 15.7216 k = 0.3333 0.5774 0.1788 ( 3162 PWs) bands (ev): -12.7559 -12.7559 -12.7466 -12.7466 -11.2045 -11.2045 -9.9126 -9.9126 -9.9119 -9.9119 -9.3103 -9.3103 -1.5900 -1.5900 -1.5794 -1.5794 0.9432 0.9432 0.9712 0.9712 1.0095 1.0095 2.9833 2.9833 2.9902 2.9902 3.1038 3.1038 3.8888 3.8888 5.0870 5.0870 5.0921 5.0921 5.2659 5.2659 5.7300 5.7300 6.0179 6.0179 6.0240 6.0240 6.6160 6.6160 7.0612 7.0612 7.0734 7.0734 8.1478 8.1478 8.2289 8.2289 8.3620 8.3620 9.1948 9.1948 9.2005 9.2005 12.8670 12.8670 12.8705 12.8705 15.5049 15.5049 15.6173 15.6173 15.7252 15.7252 k = 0.3333 0.5774 0.1937 ( 3177 PWs) bands (ev): -12.7507 -12.7507 -12.7413 -12.7413 -11.2000 -11.2000 -9.9220 -9.9220 -9.9214 -9.9214 -9.3155 -9.3155 -1.5872 -1.5872 -1.5764 -1.5764 0.9315 0.9315 0.9557 0.9557 0.9892 0.9892 3.0063 3.0063 3.0114 3.0114 3.1099 3.1099 3.8968 3.8968 5.0789 5.0789 5.0843 5.0843 5.3173 5.3173 5.7236 5.7236 6.0370 6.0370 6.0440 6.0440 6.5923 6.5923 7.0665 7.0665 7.0780 7.0780 8.1435 8.1435 8.2316 8.2316 8.3719 8.3719 9.1670 9.1670 9.1746 9.1746 12.8586 12.8586 12.8622 12.8622 15.4579 15.4579 15.6267 15.6267 15.7328 15.7328 k = 0.3333 0.5774 0.2086 ( 3171 PWs) bands (ev): -12.7452 -12.7452 -12.7358 -12.7358 -11.1951 -11.1951 -9.9318 -9.9318 -9.9313 -9.9313 -9.3215 -9.3215 -1.5851 -1.5851 -1.5743 -1.5743 0.9215 0.9215 0.9405 0.9405 0.9731 0.9731 3.0295 3.0295 3.0321 3.0321 3.1172 3.1172 3.9027 3.9027 5.0719 5.0719 5.0777 5.0777 5.3667 5.3667 5.7167 5.7167 6.0548 6.0548 6.0626 6.0626 6.5692 6.5692 7.0708 7.0708 7.0814 7.0814 8.1383 8.1383 8.2332 8.2332 8.3825 8.3825 9.1409 9.1409 9.1505 9.1505 12.8488 12.8488 12.8525 12.8525 15.4144 15.4144 15.6384 15.6384 15.7436 15.7436 k = 0.3333 0.5774 0.2235 ( 3186 PWs) bands (ev): -12.7395 -12.7395 -12.7301 -12.7301 -11.1898 -11.1898 -9.9419 -9.9419 -9.9414 -9.9414 -9.3281 -9.3281 -1.5838 -1.5838 -1.5729 -1.5729 0.9133 0.9133 0.9260 0.9260 0.9609 0.9609 3.0515 3.0515 3.0527 3.0527 3.1260 3.1260 3.9063 3.9063 5.0661 5.0661 5.0724 5.0724 5.4138 5.4138 5.7094 5.7094 6.0709 6.0709 6.0796 6.0796 6.5467 6.5467 7.0739 7.0739 7.0836 7.0836 8.1321 8.1321 8.2335 8.2335 8.3937 8.3937 9.1166 9.1166 9.1280 9.1280 12.8377 12.8377 12.8414 12.8414 15.3751 15.3751 15.6524 15.6524 15.7571 15.7571 k = 0.3333 0.5774 0.2384 ( 3186 PWs) bands (ev): -12.7337 -12.7337 -12.7243 -12.7243 -11.1842 -11.1842 -9.9522 -9.9522 -9.9518 -9.9518 -9.3353 -9.3353 -1.5833 -1.5833 -1.5722 -1.5722 0.9068 0.9068 0.9130 0.9130 0.9519 0.9519 3.0690 3.0690 3.0757 3.0757 3.1369 3.1369 3.9077 3.9077 5.0619 5.0619 5.0685 5.0685 5.4584 5.4584 5.7017 5.7017 6.0853 6.0853 6.0947 6.0947 6.5250 6.5250 7.0757 7.0757 7.0846 7.0846 8.1252 8.1252 8.2325 8.2325 8.4054 8.4054 9.0943 9.0943 9.1075 9.1075 12.8253 12.8253 12.8291 12.8291 15.3403 15.3403 15.6685 15.6685 15.7729 15.7729 k = 0.3333 0.5774 0.2533 ( 3186 PWs) bands (ev): -12.7277 -12.7277 -12.7183 -12.7183 -11.1781 -11.1781 -9.9628 -9.9628 -9.9624 -9.9624 -9.3432 -9.3432 -1.5836 -1.5836 -1.5724 -1.5724 0.9020 0.9020 0.9021 0.9021 0.9456 0.9456 3.0840 3.0840 3.0984 3.0984 3.1501 3.1501 3.9069 3.9069 5.0592 5.0592 5.0663 5.0663 5.5004 5.5004 5.6937 5.6937 6.0976 6.0976 6.1077 6.1077 6.5039 6.5039 7.0762 7.0762 7.0842 7.0842 8.1177 8.1177 8.2304 8.2304 8.4177 8.4177 9.0743 9.0743 9.0891 9.0891 12.8119 12.8119 12.8157 12.8157 15.3104 15.3104 15.6866 15.6866 15.7909 15.7909 k = 0.3333 0.5774 0.2682 ( 3192 PWs) bands (ev): -12.7217 -12.7217 -12.7122 -12.7122 -11.1718 -11.1718 -9.9734 -9.9734 -9.9731 -9.9731 -9.3515 -9.3515 -1.5846 -1.5846 -1.5734 -1.5734 0.8935 0.8935 0.8991 0.8991 0.9415 0.9415 3.0965 3.0965 3.1205 3.1205 3.1655 3.1655 3.9039 3.9039 5.0583 5.0583 5.0658 5.0658 5.5393 5.5393 5.6854 5.6854 6.1078 6.1078 6.1185 6.1185 6.4837 6.4837 7.0754 7.0754 7.0826 7.0826 8.1096 8.1096 8.2273 8.2273 8.4303 8.4303 9.0565 9.0565 9.0727 9.0727 12.7975 12.7975 12.8014 12.8014 15.2857 15.2857 15.7067 15.7067 15.8109 15.8109 k = 0.3333 0.5774 0.2831 ( 3192 PWs) bands (ev): -12.7156 -12.7156 -12.7061 -12.7061 -11.1651 -11.1651 -9.9840 -9.9840 -9.9838 -9.9838 -9.3604 -9.3604 -1.5864 -1.5864 -1.5751 -1.5751 0.8876 0.8876 0.8980 0.8980 0.9396 0.9396 3.1069 3.1069 3.1419 3.1419 3.1825 3.1825 3.8988 3.8988 5.0591 5.0591 5.0670 5.0670 5.5748 5.5748 5.6769 5.6769 6.1157 6.1157 6.1269 6.1269 6.4647 6.4647 7.0731 7.0731 7.0795 7.0795 8.1013 8.1013 8.2232 8.2232 8.4432 8.4432 9.0411 9.0411 9.0585 9.0585 12.7823 12.7823 12.7862 12.7862 15.2662 15.2662 15.7287 15.7287 15.8329 15.8329 k = 0.3333 0.5774 0.2980 ( 3198 PWs) bands (ev): -12.7095 -12.7095 -12.7000 -12.7000 -11.1583 -11.1583 -9.9946 -9.9946 -9.9944 -9.9944 -9.3696 -9.3696 -1.5889 -1.5889 -1.5776 -1.5776 0.8844 0.8844 0.8986 0.8986 0.9396 0.9396 3.1157 3.1157 3.1624 3.1624 3.2002 3.2002 3.8918 3.8918 5.0616 5.0616 5.0700 5.0700 5.6063 5.6063 5.6683 5.6683 6.1212 6.1212 6.1329 6.1329 6.4470 6.4470 7.0695 7.0695 7.0752 7.0752 8.0928 8.0928 8.2184 8.2184 8.4562 8.4562 9.0282 9.0282 9.0465 9.0465 12.7663 12.7663 12.7703 12.7703 15.2522 15.2522 15.7524 15.7524 15.8566 15.8566 k = 0.3333 0.5774 0.3129 ( 3186 PWs) bands (ev): -12.7035 -12.7035 -12.6939 -12.6939 -11.1512 -11.1512 -10.0050 -10.0050 -10.0048 -10.0048 -9.3793 -9.3793 -1.5921 -1.5921 -1.5809 -1.5809 0.8840 0.8840 0.9010 0.9010 0.9415 0.9415 3.1236 3.1236 3.1818 3.1818 3.2179 3.2179 3.8830 3.8830 5.0659 5.0659 5.0747 5.0747 5.6331 5.6331 5.6596 5.6596 6.1244 6.1244 6.1364 6.1364 6.4314 6.4314 7.0645 7.0645 7.0697 7.0697 8.0843 8.0843 8.2129 8.2129 8.4694 8.4694 9.0178 9.0178 9.0369 9.0369 12.7498 12.7498 12.7538 12.7538 15.2438 15.2438 15.7779 15.7779 15.8821 15.8821 k = 0.3333 0.5774 0.3279 ( 3192 PWs) bands (ev): -12.6976 -12.6976 -12.6880 -12.6880 -11.1441 -11.1441 -10.0152 -10.0152 -10.0150 -10.0150 -9.3892 -9.3892 -1.5961 -1.5961 -1.5848 -1.5848 0.8864 0.8864 0.9052 0.9052 0.9453 0.9453 3.1307 3.1307 3.1999 3.1999 3.2350 3.2350 3.8724 3.8724 5.0718 5.0718 5.0811 5.0811 5.6508 5.6508 5.6545 5.6545 6.1252 6.1252 6.1375 6.1375 6.4182 6.4182 7.0583 7.0583 7.0630 7.0630 8.0758 8.0758 8.2068 8.2068 8.4825 8.4825 9.0099 9.0099 9.0295 9.0295 12.7326 12.7326 12.7367 12.7367 15.2411 15.2411 15.8049 15.8049 15.9092 15.9092 k = 0.3333 0.5774 0.3428 ( 3204 PWs) bands (ev): -12.6919 -12.6919 -12.6822 -12.6822 -11.1368 -11.1368 -10.0251 -10.0251 -10.0250 -10.0250 -9.3993 -9.3993 -1.6007 -1.6007 -1.5894 -1.5894 0.8916 0.8916 0.9110 0.9110 0.9509 0.9509 3.1373 3.1373 3.2166 3.2166 3.2511 3.2511 3.8603 3.8603 5.0793 5.0793 5.0890 5.0890 5.6422 5.6422 5.6694 5.6694 6.1237 6.1237 6.1362 6.1362 6.4084 6.4084 7.0508 7.0508 7.0552 7.0552 8.0675 8.0675 8.2002 8.2002 8.4956 8.4956 9.0043 9.0043 9.0242 9.0242 12.7150 12.7150 12.7192 12.7192 15.2440 15.2440 15.8335 15.8335 15.9378 15.9378 k = 0.3333 0.5774 0.3577 ( 3201 PWs) bands (ev): -12.6863 -12.6863 -12.6766 -12.6766 -11.1295 -11.1295 -10.0346 -10.0346 -10.0345 -10.0345 -9.4095 -9.4095 -1.6059 -1.6059 -1.5947 -1.5947 0.8996 0.8996 0.9185 0.9185 0.9583 0.9583 3.1436 3.1436 3.2317 3.2317 3.2661 3.2661 3.8468 3.8468 5.0882 5.0882 5.0982 5.0982 5.6336 5.6336 5.6771 5.6771 6.1201 6.1201 6.1328 6.1328 6.4026 6.4026 7.0421 7.0421 7.0464 7.0464 8.0595 8.0595 8.1933 8.1933 8.5085 8.5085 9.0013 9.0013 9.0212 9.0212 12.6970 12.6970 12.7013 12.7013 15.2525 15.2525 15.8635 15.8635 15.9679 15.9679 k = 0.3333 0.5774 0.3726 ( 3201 PWs) bands (ev): -12.6810 -12.6810 -12.6712 -12.6712 -11.1222 -11.1222 -10.0436 -10.0436 -10.0435 -10.0435 -9.4199 -9.4199 -1.6116 -1.6116 -1.6005 -1.6005 0.9103 0.9103 0.9277 0.9277 0.9673 0.9673 3.1495 3.1495 3.2452 3.2452 3.2796 3.2796 3.8321 3.8321 5.0981 5.0981 5.1085 5.1085 5.6252 5.6252 5.6769 5.6769 6.1147 6.1147 6.1274 6.1274 6.4015 6.4015 7.0325 7.0325 7.0367 7.0367 8.0518 8.0518 8.1861 8.1861 8.5210 8.5210 9.0007 9.0007 9.0205 9.0205 12.6787 12.6787 12.6831 12.6831 15.2668 15.2668 15.8949 15.8949 15.9992 15.9992 k = 0.3333 0.5774 0.3875 ( 3195 PWs) bands (ev): -12.6759 -12.6759 -12.6662 -12.6662 -11.1150 -11.1150 -10.0521 -10.0521 -10.0520 -10.0520 -9.4302 -9.4302 -1.6179 -1.6179 -1.6068 -1.6068 0.9236 0.9236 0.9384 0.9384 0.9781 0.9781 3.1550 3.1550 3.2570 3.2570 3.2916 3.2916 3.8165 3.8165 5.1088 5.1088 5.1195 5.1195 5.6171 5.6171 5.6682 5.6682 6.1078 6.1078 6.1205 6.1205 6.4054 6.4054 7.0218 7.0218 7.0261 7.0261 8.0443 8.0443 8.1786 8.1786 8.5332 8.5332 9.0025 9.0025 9.0220 9.0220 12.6603 12.6603 12.6648 12.6648 15.2866 15.2866 15.9274 15.9274 16.0317 16.0317 k = 0.3333 0.5774 0.4024 ( 3189 PWs) bands (ev): -12.6712 -12.6712 -12.6615 -12.6615 -11.1079 -11.1079 -10.0600 -10.0600 -10.0599 -10.0599 -9.4404 -9.4404 -1.6247 -1.6247 -1.6137 -1.6137 0.9395 0.9395 0.9507 0.9507 0.9906 0.9906 3.1603 3.1603 3.2669 3.2669 3.3017 3.3017 3.8000 3.8000 5.1199 5.1199 5.1308 5.1308 5.6093 5.6093 5.6509 5.6509 6.0999 6.0999 6.1125 6.1125 6.4145 6.4145 7.0102 7.0102 7.0147 7.0147 8.0371 8.0371 8.1708 8.1708 8.5450 8.5450 9.0066 9.0066 9.0257 9.0257 12.6417 12.6417 12.6464 12.6464 15.3118 15.3118 15.9610 15.9610 16.0652 16.0652 k = 0.3333 0.5774 0.4173 ( 3195 PWs) bands (ev): -12.6669 -12.6669 -12.6571 -12.6571 -11.1011 -11.1011 -10.0672 -10.0672 -10.0671 -10.0671 -9.4504 -9.4504 -1.6319 -1.6319 -1.6209 -1.6209 0.9578 0.9578 0.9644 0.9644 1.0048 1.0048 3.1652 3.1652 3.2749 3.2749 3.3101 3.3101 3.7828 3.7828 5.1309 5.1309 5.1419 5.1419 5.6018 5.6018 5.6253 5.6253 6.0914 6.0914 6.1040 6.1040 6.4283 6.4283 6.9977 6.9977 7.0024 7.0024 8.0301 8.0301 8.1628 8.1628 8.5562 8.5562 9.0130 9.0130 9.0315 9.0315 12.6231 12.6231 12.6279 12.6279 15.3424 15.3424 15.9954 15.9954 16.0996 16.0996 k = 0.3333 0.5774 0.4322 ( 3210 PWs) bands (ev): -12.6630 -12.6630 -12.6532 -12.6532 -11.0944 -11.0944 -10.0737 -10.0737 -10.0735 -10.0735 -9.4601 -9.4601 -1.6394 -1.6394 -1.6286 -1.6286 0.9784 0.9784 0.9796 0.9796 1.0208 1.0208 3.1697 3.1697 3.2809 3.2809 3.3166 3.3166 3.7652 3.7652 5.1412 5.1412 5.1522 5.1522 5.5903 5.5903 5.5963 5.5963 6.0830 6.0830 6.0955 6.0955 6.4465 6.4465 6.9844 6.9844 6.9893 6.9893 8.0233 8.0233 8.1546 8.1546 8.5667 8.5667 9.0216 9.0216 9.0394 9.0394 12.6045 12.6045 12.6095 12.6095 15.3782 15.3782 16.0305 16.0305 16.1346 16.1346 k = 0.3333 0.5774 0.4471 ( 3210 PWs) bands (ev): -12.6595 -12.6595 -12.6498 -12.6498 -11.0881 -11.0881 -10.0794 -10.0794 -10.0792 -10.0792 -9.4695 -9.4695 -1.6472 -1.6472 -1.6365 -1.6365 0.9960 0.9960 1.0008 1.0008 1.0387 1.0387 3.1738 3.1738 3.2850 3.2850 3.3212 3.3212 3.7473 3.7473 5.1502 5.1502 5.1613 5.1613 5.5506 5.5506 5.5888 5.5888 6.0754 6.0754 6.0878 6.0878 6.4683 6.4683 6.9702 6.9702 6.9755 6.9755 8.0166 8.0166 8.1462 8.1462 8.5766 8.5766 9.0325 9.0325 9.0496 9.0496 12.5860 12.5860 12.5912 12.5912 15.4189 15.4189 16.0662 16.0662 16.1701 16.1701 k = 0.3333 0.5774 0.4620 ( 3210 PWs) bands (ev): -12.6566 -12.6566 -12.6468 -12.6468 -11.0822 -11.0822 -10.0843 -10.0843 -10.0840 -10.0840 -9.4785 -9.4785 -1.6553 -1.6553 -1.6447 -1.6447 1.0137 1.0137 1.0247 1.0247 1.0589 1.0589 3.1776 3.1776 3.2872 3.2872 3.3239 3.3239 3.7293 3.7293 5.1574 5.1574 5.1684 5.1684 5.5035 5.5035 5.5828 5.5828 6.0694 6.0694 6.0817 6.0817 6.4930 6.4930 6.9551 6.9551 6.9607 6.9607 8.0100 8.0100 8.1376 8.1376 8.5856 8.5856 9.0455 9.0455 9.0618 9.0618 12.5678 12.5678 12.5732 12.5732 15.4644 15.4644 16.1022 16.1022 16.2059 16.2059 k = 0.3333 0.5774 0.4769 ( 3210 PWs) bands (ev): -12.6541 -12.6541 -12.6444 -12.6444 -11.0767 -11.0767 -10.0883 -10.0883 -10.0880 -10.0880 -9.4870 -9.4870 -1.6636 -1.6636 -1.6531 -1.6531 1.0325 1.0325 1.0492 1.0492 1.0821 1.0821 3.1809 3.1809 3.2874 3.2874 3.3246 3.3246 3.7114 3.7114 5.1622 5.1622 5.1729 5.1729 5.4507 5.4507 5.5775 5.5775 6.0656 6.0656 6.0778 6.0778 6.5200 6.5200 6.9391 6.9391 6.9451 6.9451 8.0035 8.0035 8.1288 8.1288 8.5938 8.5938 9.0607 9.0607 9.0761 9.0761 12.5498 12.5498 12.5555 12.5555 15.5145 15.5145 16.1383 16.1383 16.2418 16.2418 k = 0.3333 0.5774 0.4918 ( 3204 PWs) bands (ev): -12.6522 -12.6522 -12.6424 -12.6424 -11.0716 -11.0716 -10.0913 -10.0913 -10.0910 -10.0910 -9.4948 -9.4948 -1.6720 -1.6720 -1.6617 -1.6617 1.0524 1.0524 1.0735 1.0735 1.1088 1.1088 3.1837 3.1837 3.2858 3.2858 3.3234 3.3234 3.6936 3.6936 5.1640 5.1640 5.1744 5.1744 5.3928 5.3928 5.5728 5.5728 6.0647 6.0647 6.0768 6.0768 6.5486 6.5486 6.9223 6.9223 6.9286 6.9286 7.9971 7.9971 8.1200 8.1200 8.6011 8.6011 9.0779 9.0779 9.0925 9.0925 12.5323 12.5323 12.5382 12.5382 15.5688 15.5688 16.1741 16.1741 16.2774 16.2774 k = 0.3333 0.5774 0.5067 ( 3198 PWs) bands (ev): -12.6508 -12.6508 -12.6411 -12.6411 -11.0671 -11.0671 -10.0935 -10.0935 -10.0931 -10.0931 -9.5021 -9.5021 -1.6804 -1.6804 -1.6703 -1.6703 1.0733 1.0733 1.0973 1.0973 1.1391 1.1391 3.1860 3.1860 3.2822 3.2822 3.3204 3.3204 3.6762 3.6762 5.1625 5.1625 5.1724 5.1724 5.3305 5.3305 5.5689 5.5689 6.0672 6.0672 6.0792 6.0792 6.5785 6.5785 6.9045 6.9045 6.9112 6.9112 7.9907 7.9907 8.1110 8.1110 8.6072 8.6072 9.0971 9.0971 9.1108 9.1108 12.5152 12.5152 12.5213 12.5213 15.6271 15.6271 16.2096 16.2096 16.3126 16.3126 k = 0.3333 0.5774 0.5216 ( 3192 PWs) bands (ev): -12.6500 -12.6500 -12.6403 -12.6403 -11.0632 -11.0632 -10.0947 -10.0947 -10.0942 -10.0942 -9.5085 -9.5085 -1.6889 -1.6889 -1.6789 -1.6789 1.0949 1.0949 1.1208 1.1208 1.1727 1.1727 3.1878 3.1878 3.2767 3.2767 3.3155 3.3155 3.6593 3.6593 5.1575 5.1575 5.1668 5.1668 5.2643 5.2643 5.5656 5.5656 6.0734 6.0734 6.0854 6.0854 6.6091 6.6091 6.8857 6.8857 6.8927 6.8927 7.9843 7.9843 8.1019 8.1019 8.6123 8.6123 9.1181 9.1181 9.1309 9.1309 12.4987 12.4987 12.5050 12.5050 15.6891 15.6891 16.2443 16.2443 16.3470 16.3470 k = 0.3333 0.5774 0.5365 ( 3192 PWs) bands (ev): -12.6497 -12.6497 -12.6401 -12.6401 -11.0599 -11.0599 -10.0949 -10.0949 -10.0944 -10.0944 -9.5142 -9.5142 -1.6973 -1.6973 -1.6874 -1.6874 1.1174 1.1174 1.1443 1.1443 1.2090 1.2090 3.1890 3.1890 3.2694 3.2694 3.3088 3.3088 3.6429 3.6429 5.1489 5.1489 5.1575 5.1575 5.1947 5.1947 5.5631 5.5631 6.0835 6.0835 6.0955 6.0955 6.6401 6.6401 6.8659 6.8659 6.8732 6.8732 7.9779 7.9779 8.0929 8.0929 8.6161 8.6161 9.1409 9.1409 9.1527 9.1527 12.4828 12.4828 12.4894 12.4894 15.7545 15.7545 16.2779 16.2779 16.3804 16.3804 Writing output data file NixAsO3x2.save init_run : 0.25s CPU 0.36s WALL ( 1 calls) electrons : 218.82s CPU 222.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 218.81s CPU 222.35s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 331 calls) cegterg : 200.62s CPU 203.31s WALL ( 372 calls) Called by sum_band: Called by *egterg: h_psi : 94.72s CPU 96.49s WALL ( 6555 calls) s_psi : 4.62s CPU 4.71s WALL ( 6555 calls) g_psi : 0.24s CPU 0.25s WALL ( 5852 calls) cdiaghg : 92.46s CPU 93.74s WALL ( 6183 calls) cegterg:over : 8.18s CPU 8.17s WALL ( 5852 calls) cegterg:upda : 6.64s CPU 6.52s WALL ( 5852 calls) cegterg:last : 3.16s CPU 3.19s WALL ( 1103 calls) cdiaghg:chol : 5.41s CPU 5.42s WALL ( 6183 calls) cdiaghg:inve : 4.00s CPU 4.07s WALL ( 6183 calls) cdiaghg:para : 7.17s CPU 7.16s WALL ( 12366 calls) Called by h_psi: h_psi:vloc : 81.98s CPU 83.53s WALL ( 6555 calls) h_psi:vnl : 12.49s CPU 12.68s WALL ( 6555 calls) add_vuspsi : 5.72s CPU 5.85s WALL ( 6555 calls) General routines calbec : 6.75s CPU 6.80s WALL ( 6555 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 76.64s CPU 77.88s WALL ( 1023296 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.39s WALL ( 662 calls) Parallel routines fft_scatter : 27.00s CPU 27.78s WALL ( 1023319 calls) PWSCF : 3m56.36s CPU 4m11.75s WALL This run was terminated on: 20:34:50 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=