Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 8:32:38 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./ZrCl3.save/ 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 24 6 1575 1324 192 Max 28 25 7 1586 1343 201 Sum 1945 1759 499 113619 95981 14269 bravais-lattice index = 14 lattice parameter (alat) = 11.2647 a.u. unit-cell volume = 2007.9225 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.264657 celldm(2)= 1.000000 celldm(3)= 1.622043 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.622043 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.616506 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Zr 4.00 91.22400 Zr( 1.00) Cl 7.00 35.45300 Cl( 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= 230 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 2) = ( 0.0161290 0.0093121 -0.0000000), wk = 0.0043478 k( 3) = ( 0.0322581 0.0186242 -0.0000000), wk = 0.0043478 k( 4) = ( 0.0483871 0.0279363 -0.0000000), wk = 0.0043478 k( 5) = ( 0.0645161 0.0372484 -0.0000000), wk = 0.0043478 k( 6) = ( 0.0806452 0.0465605 -0.0000000), wk = 0.0043478 k( 7) = ( 0.0967742 0.0558726 -0.0000000), wk = 0.0043478 k( 8) = ( 0.1129032 0.0651847 -0.0000000), wk = 0.0043478 k( 9) = ( 0.1290323 0.0744968 -0.0000000), wk = 0.0043478 k( 10) = ( 0.1451613 0.0838089 -0.0000000), wk = 0.0043478 k( 11) = ( 0.1612903 0.0931210 -0.0000000), wk = 0.0043478 k( 12) = ( 0.1774194 0.1024331 -0.0000000), wk = 0.0043478 k( 13) = ( 0.1935484 0.1117452 -0.0000000), wk = 0.0043478 k( 14) = ( 0.2096774 0.1210573 -0.0000000), wk = 0.0043478 k( 15) = ( 0.2258064 0.1303694 -0.0000000), wk = 0.0043478 k( 16) = ( 0.2419355 0.1396815 -0.0000000), wk = 0.0043478 k( 17) = ( 0.2580645 0.1489936 -0.0000000), wk = 0.0043478 k( 18) = ( 0.2741936 0.1583057 -0.0000000), wk = 0.0043478 k( 19) = ( 0.2903226 0.1676178 -0.0000000), wk = 0.0043478 k( 20) = ( 0.3064516 0.1769299 -0.0000000), wk = 0.0043478 k( 21) = ( 0.3225807 0.1862420 -0.0000000), wk = 0.0043478 k( 22) = ( 0.3387097 0.1955541 -0.0000000), wk = 0.0043478 k( 23) = ( 0.3548387 0.2048662 -0.0000000), wk = 0.0043478 k( 24) = ( 0.3709677 0.2141783 -0.0000000), wk = 0.0043478 k( 25) = ( 0.3870968 0.2234904 -0.0000000), wk = 0.0043478 k( 26) = ( 0.4032258 0.2328025 -0.0000000), wk = 0.0043478 k( 27) = ( 0.4193548 0.2421146 -0.0000000), wk = 0.0043478 k( 28) = ( 0.4354839 0.2514267 -0.0000000), wk = 0.0043478 k( 29) = ( 0.4516129 0.2607388 -0.0000000), wk = 0.0043478 k( 30) = ( 0.4677419 0.2700509 -0.0000000), wk = 0.0043478 k( 31) = ( 0.4838710 0.2793630 -0.0000000), wk = 0.0043478 k( 32) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043478 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043478 k( 34) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0043478 k( 35) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0043478 k( 36) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0043478 k( 37) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0043478 k( 38) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0043478 k( 39) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0043478 k( 40) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0043478 k( 41) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0043478 k( 42) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0043478 k( 43) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0043478 k( 44) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0043478 k( 45) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0043478 k( 46) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0043478 k( 47) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0043478 k( 48) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0043478 k( 49) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0043478 k( 50) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0043478 k( 51) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043478 k( 52) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043478 k( 53) = ( 0.3240741 0.5613128 -0.0000000), wk = 0.0043478 k( 54) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0043478 k( 55) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0043478 k( 56) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0043478 k( 57) = ( 0.2870370 0.4971627 -0.0000000), wk = 0.0043478 k( 58) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0043478 k( 59) = ( 0.2685185 0.4650877 -0.0000000), wk = 0.0043478 k( 60) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0043478 k( 61) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0043478 k( 62) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0043478 k( 63) = ( 0.2314815 0.4009377 -0.0000000), wk = 0.0043478 k( 64) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0043478 k( 65) = ( 0.2129630 0.3688627 -0.0000000), wk = 0.0043478 k( 66) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0043478 k( 67) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0043478 k( 68) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0043478 k( 69) = ( 0.1759259 0.3047126 -0.0000000), wk = 0.0043478 k( 70) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0043478 k( 71) = ( 0.1574074 0.2726376 -0.0000000), wk = 0.0043478 k( 72) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0043478 k( 73) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0043478 k( 74) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0043478 k( 75) = ( 0.1203704 0.2084876 -0.0000000), wk = 0.0043478 k( 76) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0043478 k( 77) = ( 0.1018518 0.1764126 -0.0000000), wk = 0.0043478 k( 78) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0043478 k( 79) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0043478 k( 80) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0043478 k( 81) = ( 0.0648148 0.1122625 -0.0000000), wk = 0.0043478 k( 82) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0043478 k( 83) = ( 0.0462963 0.0801875 -0.0000000), wk = 0.0043478 k( 84) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0043478 k( 85) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0043478 k( 86) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0043478 k( 87) = ( 0.0092593 0.0160375 -0.0000000), wk = 0.0043478 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 90) = ( 0.0000000 0.0000000 0.0181325), wk = 0.0043478 k( 91) = ( 0.0000000 0.0000000 0.0362651), wk = 0.0043478 k( 92) = ( 0.0000000 0.0000000 0.0543976), wk = 0.0043478 k( 93) = ( 0.0000000 0.0000000 0.0725302), wk = 0.0043478 k( 94) = ( 0.0000000 0.0000000 0.0906627), wk = 0.0043478 k( 95) = ( 0.0000000 0.0000000 0.1087952), wk = 0.0043478 k( 96) = ( 0.0000000 0.0000000 0.1269278), wk = 0.0043478 k( 97) = ( 0.0000000 0.0000000 0.1450603), wk = 0.0043478 k( 98) = ( 0.0000000 0.0000000 0.1631929), wk = 0.0043478 k( 99) = ( 0.0000000 0.0000000 0.1813254), wk = 0.0043478 k( 100) = ( 0.0000000 0.0000000 0.1994579), wk = 0.0043478 k( 101) = ( 0.0000000 0.0000000 0.2175905), wk = 0.0043478 k( 102) = ( 0.0000000 0.0000000 0.2357230), wk = 0.0043478 k( 103) = ( 0.0000000 0.0000000 0.2538556), wk = 0.0043478 k( 104) = ( 0.0000000 0.0000000 0.2719881), wk = 0.0043478 k( 105) = ( 0.0000000 0.0000000 0.2901206), wk = 0.0043478 k( 106) = ( 0.0000000 0.0000000 0.3082532), wk = 0.0043478 k( 107) = ( 0.0000000 0.0000000 0.3082532), wk = 0.0043478 k( 108) = ( 0.0161290 0.0093121 0.3082532), wk = 0.0043478 k( 109) = ( 0.0322581 0.0186242 0.3082532), wk = 0.0043478 k( 110) = ( 0.0483871 0.0279363 0.3082532), wk = 0.0043478 k( 111) = ( 0.0645161 0.0372484 0.3082532), wk = 0.0043478 k( 112) = ( 0.0806452 0.0465605 0.3082532), wk = 0.0043478 k( 113) = ( 0.0967742 0.0558726 0.3082532), wk = 0.0043478 k( 114) = ( 0.1129032 0.0651847 0.3082532), wk = 0.0043478 k( 115) = ( 0.1290323 0.0744968 0.3082532), wk = 0.0043478 k( 116) = ( 0.1451613 0.0838089 0.3082532), wk = 0.0043478 k( 117) = ( 0.1612903 0.0931210 0.3082532), wk = 0.0043478 k( 118) = ( 0.1774194 0.1024331 0.3082532), wk = 0.0043478 k( 119) = ( 0.1935484 0.1117452 0.3082532), wk = 0.0043478 k( 120) = ( 0.2096774 0.1210573 0.3082532), wk = 0.0043478 k( 121) = ( 0.2258064 0.1303694 0.3082532), wk = 0.0043478 k( 122) = ( 0.2419355 0.1396815 0.3082532), wk = 0.0043478 k( 123) = ( 0.2580645 0.1489936 0.3082532), wk = 0.0043478 k( 124) = ( 0.2741936 0.1583057 0.3082532), wk = 0.0043478 k( 125) = ( 0.2903226 0.1676178 0.3082532), wk = 0.0043478 k( 126) = ( 0.3064516 0.1769299 0.3082532), wk = 0.0043478 k( 127) = ( 0.3225807 0.1862420 0.3082532), wk = 0.0043478 k( 128) = ( 0.3387097 0.1955541 0.3082532), wk = 0.0043478 k( 129) = ( 0.3548387 0.2048662 0.3082532), wk = 0.0043478 k( 130) = ( 0.3709677 0.2141783 0.3082532), wk = 0.0043478 k( 131) = ( 0.3870968 0.2234904 0.3082532), wk = 0.0043478 k( 132) = ( 0.4032258 0.2328025 0.3082532), wk = 0.0043478 k( 133) = ( 0.4193548 0.2421146 0.3082532), wk = 0.0043478 k( 134) = ( 0.4354839 0.2514267 0.3082532), wk = 0.0043478 k( 135) = ( 0.4516129 0.2607388 0.3082532), wk = 0.0043478 k( 136) = ( 0.4677419 0.2700509 0.3082532), wk = 0.0043478 k( 137) = ( 0.4838710 0.2793630 0.3082532), wk = 0.0043478 k( 138) = ( 0.5000000 0.2886751 0.3082532), wk = 0.0043478 k( 139) = ( 0.5000000 0.2886751 0.3082532), wk = 0.0043478 k( 140) = ( 0.4907407 0.3047126 0.3082532), wk = 0.0043478 k( 141) = ( 0.4814815 0.3207502 0.3082532), wk = 0.0043478 k( 142) = ( 0.4722222 0.3367877 0.3082532), wk = 0.0043478 k( 143) = ( 0.4629630 0.3528252 0.3082532), wk = 0.0043478 k( 144) = ( 0.4537037 0.3688627 0.3082532), wk = 0.0043478 k( 145) = ( 0.4444444 0.3849002 0.3082532), wk = 0.0043478 k( 146) = ( 0.4351852 0.4009377 0.3082532), wk = 0.0043478 k( 147) = ( 0.4259259 0.4169752 0.3082532), wk = 0.0043478 k( 148) = ( 0.4166667 0.4330127 0.3082532), wk = 0.0043478 k( 149) = ( 0.4074074 0.4490502 0.3082532), wk = 0.0043478 k( 150) = ( 0.3981481 0.4650877 0.3082532), wk = 0.0043478 k( 151) = ( 0.3888889 0.4811252 0.3082532), wk = 0.0043478 k( 152) = ( 0.3796296 0.4971627 0.3082532), wk = 0.0043478 k( 153) = ( 0.3703704 0.5132002 0.3082532), wk = 0.0043478 k( 154) = ( 0.3611111 0.5292377 0.3082532), wk = 0.0043478 k( 155) = ( 0.3518519 0.5452753 0.3082532), wk = 0.0043478 k( 156) = ( 0.3425926 0.5613128 0.3082532), wk = 0.0043478 k( 157) = ( 0.3333333 0.5773503 0.3082532), wk = 0.0043478 k( 158) = ( 0.3333333 0.5773503 0.3082532), wk = 0.0043478 k( 159) = ( 0.3240741 0.5613128 0.3082532), wk = 0.0043478 k( 160) = ( 0.3148148 0.5452752 0.3082532), wk = 0.0043478 k( 161) = ( 0.3055556 0.5292378 0.3082532), wk = 0.0043478 k( 162) = ( 0.2962963 0.5132002 0.3082532), wk = 0.0043478 k( 163) = ( 0.2870370 0.4971627 0.3082532), wk = 0.0043478 k( 164) = ( 0.2777778 0.4811252 0.3082532), wk = 0.0043478 k( 165) = ( 0.2685185 0.4650877 0.3082532), wk = 0.0043478 k( 166) = ( 0.2592593 0.4490502 0.3082532), wk = 0.0043478 k( 167) = ( 0.2500000 0.4330127 0.3082532), wk = 0.0043478 k( 168) = ( 0.2407407 0.4169752 0.3082532), wk = 0.0043478 k( 169) = ( 0.2314815 0.4009377 0.3082532), wk = 0.0043478 k( 170) = ( 0.2222222 0.3849002 0.3082532), wk = 0.0043478 k( 171) = ( 0.2129630 0.3688627 0.3082532), wk = 0.0043478 k( 172) = ( 0.2037037 0.3528252 0.3082532), wk = 0.0043478 k( 173) = ( 0.1944444 0.3367876 0.3082532), wk = 0.0043478 k( 174) = ( 0.1851852 0.3207502 0.3082532), wk = 0.0043478 k( 175) = ( 0.1759259 0.3047126 0.3082532), wk = 0.0043478 k( 176) = ( 0.1666667 0.2886751 0.3082532), wk = 0.0043478 k( 177) = ( 0.1574074 0.2726376 0.3082532), wk = 0.0043478 k( 178) = ( 0.1481482 0.2566001 0.3082532), wk = 0.0043478 k( 179) = ( 0.1388889 0.2405626 0.3082532), wk = 0.0043478 k( 180) = ( 0.1296296 0.2245251 0.3082532), wk = 0.0043478 k( 181) = ( 0.1203704 0.2084876 0.3082532), wk = 0.0043478 k( 182) = ( 0.1111111 0.1924501 0.3082532), wk = 0.0043478 k( 183) = ( 0.1018518 0.1764126 0.3082532), wk = 0.0043478 k( 184) = ( 0.0925926 0.1603751 0.3082532), wk = 0.0043478 k( 185) = ( 0.0833333 0.1443376 0.3082532), wk = 0.0043478 k( 186) = ( 0.0740741 0.1283001 0.3082532), wk = 0.0043478 k( 187) = ( 0.0648148 0.1122625 0.3082532), wk = 0.0043478 k( 188) = ( 0.0555556 0.0962251 0.3082532), wk = 0.0043478 k( 189) = ( 0.0462963 0.0801875 0.3082532), wk = 0.0043478 k( 190) = ( 0.0370370 0.0641500 0.3082532), wk = 0.0043478 k( 191) = ( 0.0277778 0.0481125 0.3082532), wk = 0.0043478 k( 192) = ( 0.0185185 0.0320750 0.3082532), wk = 0.0043478 k( 193) = ( 0.0092593 0.0160375 0.3082532), wk = 0.0043478 k( 194) = ( 0.0000000 0.0000000 0.3082532), wk = 0.0043478 k( 195) = ( 0.5000000 0.2886751 0.3082532), wk = 0.0043478 k( 196) = ( 0.5000000 0.2886751 0.2901206), wk = 0.0043478 k( 197) = ( 0.5000000 0.2886751 0.2719881), wk = 0.0043478 k( 198) = ( 0.5000000 0.2886751 0.2538556), wk = 0.0043478 k( 199) = ( 0.5000000 0.2886751 0.2357230), wk = 0.0043478 k( 200) = ( 0.5000000 0.2886751 0.2175905), wk = 0.0043478 k( 201) = ( 0.5000000 0.2886751 0.1994579), wk = 0.0043478 k( 202) = ( 0.5000000 0.2886751 0.1813254), wk = 0.0043478 k( 203) = ( 0.5000000 0.2886751 0.1631929), wk = 0.0043478 k( 204) = ( 0.5000000 0.2886751 0.1450603), wk = 0.0043478 k( 205) = ( 0.5000000 0.2886751 0.1269278), wk = 0.0043478 k( 206) = ( 0.5000000 0.2886751 0.1087952), wk = 0.0043478 k( 207) = ( 0.5000000 0.2886751 0.0906627), wk = 0.0043478 k( 208) = ( 0.5000000 0.2886751 0.0725302), wk = 0.0043478 k( 209) = ( 0.5000000 0.2886751 0.0543976), wk = 0.0043478 k( 210) = ( 0.5000000 0.2886751 0.0362651), wk = 0.0043478 k( 211) = ( 0.5000000 0.2886751 0.0181325), wk = 0.0043478 k( 212) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043478 k( 213) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043478 k( 214) = ( 0.3333333 0.5773503 0.0181325), wk = 0.0043478 k( 215) = ( 0.3333333 0.5773503 0.0362651), wk = 0.0043478 k( 216) = ( 0.3333333 0.5773503 0.0543976), wk = 0.0043478 k( 217) = ( 0.3333333 0.5773503 0.0725302), wk = 0.0043478 k( 218) = ( 0.3333333 0.5773503 0.0906627), wk = 0.0043478 k( 219) = ( 0.3333333 0.5773503 0.1087952), wk = 0.0043478 k( 220) = ( 0.3333333 0.5773503 0.1269278), wk = 0.0043478 k( 221) = ( 0.3333333 0.5773503 0.1450603), wk = 0.0043478 k( 222) = ( 0.3333333 0.5773503 0.1631929), wk = 0.0043478 k( 223) = ( 0.3333333 0.5773503 0.1813254), wk = 0.0043478 k( 224) = ( 0.3333333 0.5773503 0.1994579), wk = 0.0043478 k( 225) = ( 0.3333333 0.5773503 0.2175905), wk = 0.0043478 k( 226) = ( 0.3333333 0.5773503 0.2357230), wk = 0.0043478 k( 227) = ( 0.3333333 0.5773503 0.2538556), wk = 0.0043478 k( 228) = ( 0.3333333 0.5773503 0.2719881), wk = 0.0043478 k( 229) = ( 0.3333333 0.5773503 0.2901206), wk = 0.0043478 k( 230) = ( 0.3333333 0.5773503 0.3082532), wk = 0.0043478 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 2) = ( 0.0161290 0.0000000 0.0000000), wk = 0.0043478 k( 3) = ( 0.0322581 0.0000000 0.0000000), wk = 0.0043478 k( 4) = ( 0.0483871 0.0000000 -0.0000000), wk = 0.0043478 k( 5) = ( 0.0645161 0.0000000 -0.0000000), wk = 0.0043478 k( 6) = ( 0.0806452 0.0000000 -0.0000000), wk = 0.0043478 k( 7) = ( 0.0967742 0.0000000 -0.0000000), wk = 0.0043478 k( 8) = ( 0.1129032 0.0000000 -0.0000000), wk = 0.0043478 k( 9) = ( 0.1290323 0.0000000 -0.0000000), wk = 0.0043478 k( 10) = ( 0.1451613 0.0000000 -0.0000000), wk = 0.0043478 k( 11) = ( 0.1612903 0.0000000 -0.0000000), wk = 0.0043478 k( 12) = ( 0.1774194 0.0000000 -0.0000000), wk = 0.0043478 k( 13) = ( 0.1935484 0.0000000 0.0000000), wk = 0.0043478 k( 14) = ( 0.2096774 0.0000000 -0.0000000), wk = 0.0043478 k( 15) = ( 0.2258064 0.0000000 0.0000000), wk = 0.0043478 k( 16) = ( 0.2419355 0.0000000 -0.0000000), wk = 0.0043478 k( 17) = ( 0.2580645 0.0000000 -0.0000000), wk = 0.0043478 k( 18) = ( 0.2741936 0.0000000 -0.0000000), wk = 0.0043478 k( 19) = ( 0.2903226 0.0000000 -0.0000000), wk = 0.0043478 k( 20) = ( 0.3064516 0.0000000 0.0000000), wk = 0.0043478 k( 21) = ( 0.3225807 0.0000000 -0.0000000), wk = 0.0043478 k( 22) = ( 0.3387097 0.0000000 -0.0000000), wk = 0.0043478 k( 23) = ( 0.3548387 0.0000000 -0.0000000), wk = 0.0043478 k( 24) = ( 0.3709677 0.0000000 0.0000000), wk = 0.0043478 k( 25) = ( 0.3870968 0.0000000 0.0000000), wk = 0.0043478 k( 26) = ( 0.4032258 0.0000000 -0.0000000), wk = 0.0043478 k( 27) = ( 0.4193548 0.0000000 -0.0000000), wk = 0.0043478 k( 28) = ( 0.4354839 0.0000000 -0.0000000), wk = 0.0043478 k( 29) = ( 0.4516129 0.0000000 0.0000000), wk = 0.0043478 k( 30) = ( 0.4677419 0.0000000 -0.0000000), wk = 0.0043478 k( 31) = ( 0.4838710 0.0000000 -0.0000000), wk = 0.0043478 k( 32) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043478 k( 33) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043478 k( 34) = ( 0.4907407 0.0185185 0.0000000), wk = 0.0043478 k( 35) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0043478 k( 36) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0043478 k( 37) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0043478 k( 38) = ( 0.4537037 0.0925926 -0.0000000), wk = 0.0043478 k( 39) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0043478 k( 40) = ( 0.4351852 0.1296296 0.0000000), wk = 0.0043478 k( 41) = ( 0.4259259 0.1481482 -0.0000000), wk = 0.0043478 k( 42) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0043478 k( 43) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0043478 k( 44) = ( 0.3981481 0.2037037 -0.0000000), wk = 0.0043478 k( 45) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0043478 k( 46) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0043478 k( 47) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0043478 k( 48) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0043478 k( 49) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0043478 k( 50) = ( 0.3425926 0.3148148 -0.0000000), wk = 0.0043478 k( 51) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043478 k( 52) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043478 k( 53) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0043478 k( 54) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0043478 k( 55) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0043478 k( 56) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0043478 k( 57) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0043478 k( 58) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0043478 k( 59) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0043478 k( 60) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0043478 k( 61) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043478 k( 62) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0043478 k( 63) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0043478 k( 64) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0043478 k( 65) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0043478 k( 66) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0043478 k( 67) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0043478 k( 68) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0043478 k( 69) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0043478 k( 70) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043478 k( 71) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0043478 k( 72) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0043478 k( 73) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0043478 k( 74) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0043478 k( 75) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0043478 k( 76) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0043478 k( 77) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0043478 k( 78) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0043478 k( 79) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043478 k( 80) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0043478 k( 81) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0043478 k( 82) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0043478 k( 83) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0043478 k( 84) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0043478 k( 85) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0043478 k( 86) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0043478 k( 87) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0043478 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 90) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0043478 k( 91) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0043478 k( 92) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0043478 k( 93) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0043478 k( 94) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0043478 k( 95) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0043478 k( 96) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0043478 k( 97) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0043478 k( 98) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0043478 k( 99) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0043478 k( 100) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0043478 k( 101) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0043478 k( 102) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0043478 k( 103) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0043478 k( 104) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0043478 k( 105) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0043478 k( 106) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043478 k( 107) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043478 k( 108) = ( 0.0161290 0.0000000 0.5000000), wk = 0.0043478 k( 109) = ( 0.0322581 0.0000000 0.5000000), wk = 0.0043478 k( 110) = ( 0.0483871 0.0000000 0.5000000), wk = 0.0043478 k( 111) = ( 0.0645161 0.0000000 0.5000000), wk = 0.0043478 k( 112) = ( 0.0806452 0.0000000 0.5000000), wk = 0.0043478 k( 113) = ( 0.0967742 0.0000000 0.5000000), wk = 0.0043478 k( 114) = ( 0.1129032 0.0000000 0.5000000), wk = 0.0043478 k( 115) = ( 0.1290323 0.0000000 0.5000000), wk = 0.0043478 k( 116) = ( 0.1451613 0.0000000 0.5000000), wk = 0.0043478 k( 117) = ( 0.1612903 0.0000000 0.5000000), wk = 0.0043478 k( 118) = ( 0.1774194 0.0000000 0.5000000), wk = 0.0043478 k( 119) = ( 0.1935484 0.0000000 0.5000000), wk = 0.0043478 k( 120) = ( 0.2096774 0.0000000 0.5000000), wk = 0.0043478 k( 121) = ( 0.2258064 0.0000000 0.5000000), wk = 0.0043478 k( 122) = ( 0.2419355 0.0000000 0.5000000), wk = 0.0043478 k( 123) = ( 0.2580645 0.0000000 0.5000000), wk = 0.0043478 k( 124) = ( 0.2741936 0.0000000 0.5000000), wk = 0.0043478 k( 125) = ( 0.2903226 0.0000000 0.5000000), wk = 0.0043478 k( 126) = ( 0.3064516 0.0000000 0.5000000), wk = 0.0043478 k( 127) = ( 0.3225807 0.0000000 0.5000000), wk = 0.0043478 k( 128) = ( 0.3387097 0.0000000 0.5000000), wk = 0.0043478 k( 129) = ( 0.3548387 0.0000000 0.5000000), wk = 0.0043478 k( 130) = ( 0.3709677 0.0000000 0.5000000), wk = 0.0043478 k( 131) = ( 0.3870968 0.0000000 0.5000000), wk = 0.0043478 k( 132) = ( 0.4032258 0.0000000 0.5000000), wk = 0.0043478 k( 133) = ( 0.4193548 0.0000000 0.5000000), wk = 0.0043478 k( 134) = ( 0.4354839 0.0000000 0.5000000), wk = 0.0043478 k( 135) = ( 0.4516129 0.0000000 0.5000000), wk = 0.0043478 k( 136) = ( 0.4677419 0.0000000 0.5000000), wk = 0.0043478 k( 137) = ( 0.4838710 0.0000000 0.5000000), wk = 0.0043478 k( 138) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043478 k( 139) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043478 k( 140) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0043478 k( 141) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0043478 k( 142) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0043478 k( 143) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0043478 k( 144) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0043478 k( 145) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0043478 k( 146) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0043478 k( 147) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0043478 k( 148) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0043478 k( 149) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0043478 k( 150) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0043478 k( 151) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0043478 k( 152) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0043478 k( 153) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0043478 k( 154) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0043478 k( 155) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0043478 k( 156) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0043478 k( 157) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043478 k( 158) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043478 k( 159) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0043478 k( 160) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0043478 k( 161) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0043478 k( 162) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0043478 k( 163) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0043478 k( 164) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0043478 k( 165) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0043478 k( 166) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0043478 k( 167) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0043478 k( 168) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0043478 k( 169) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0043478 k( 170) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0043478 k( 171) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0043478 k( 172) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0043478 k( 173) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0043478 k( 174) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0043478 k( 175) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0043478 k( 176) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0043478 k( 177) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0043478 k( 178) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0043478 k( 179) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0043478 k( 180) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0043478 k( 181) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0043478 k( 182) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0043478 k( 183) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0043478 k( 184) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0043478 k( 185) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0043478 k( 186) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0043478 k( 187) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0043478 k( 188) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0043478 k( 189) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0043478 k( 190) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0043478 k( 191) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0043478 k( 192) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0043478 k( 193) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0043478 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043478 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043478 k( 196) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0043478 k( 197) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0043478 k( 198) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0043478 k( 199) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0043478 k( 200) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0043478 k( 201) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0043478 k( 202) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0043478 k( 203) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0043478 k( 204) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0043478 k( 205) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0043478 k( 206) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0043478 k( 207) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0043478 k( 208) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0043478 k( 209) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0043478 k( 210) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0043478 k( 211) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0043478 k( 212) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043478 k( 213) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043478 k( 214) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0043478 k( 215) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0043478 k( 216) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0043478 k( 217) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0043478 k( 218) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0043478 k( 219) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0043478 k( 220) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0043478 k( 221) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0043478 k( 222) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0043478 k( 223) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0043478 k( 224) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0043478 k( 225) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0043478 k( 226) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0043478 k( 227) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0043478 k( 228) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0043478 k( 229) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0043478 k( 230) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043478 Dense grid: 113619 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 95981 G-vectors FFT dimensions: ( 54, 54, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 340, 60) NL pseudopotentials 0.61 Mb ( 170, 236) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1579) G-vector shells 0.01 Mb ( 803) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 340, 240) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.43 Mb ( 236, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZrCl3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 10.6 secs Computing kpt #: 6 total cpu time spent up to now is 12.5 secs Computing kpt #: 7 total cpu time spent up to now is 14.3 secs Computing kpt #: 8 total cpu time spent up to now is 15.9 secs Computing kpt #: 9 total cpu time spent up to now is 17.8 secs Computing kpt #: 10 total cpu time spent up to now is 19.9 secs Computing kpt #: 11 total cpu time spent up to now is 22.2 secs Computing kpt #: 12 total cpu time spent up to now is 25.0 secs Computing kpt #: 13 total cpu time spent up to now is 27.7 secs Computing kpt #: 14 total cpu time spent up to now is 30.1 secs Computing kpt #: 15 total cpu time spent up to now is 32.7 secs Computing kpt #: 16 total cpu time spent up to now is 35.5 secs Computing kpt #: 17 total cpu time spent up to now is 37.7 secs Computing kpt #: 18 total cpu time spent up to now is 40.0 secs Computing kpt #: 19 total cpu time spent up to now is 42.8 secs Computing kpt #: 20 total cpu time spent up to now is 45.4 secs Computing kpt #: 21 total cpu time spent up to now is 47.3 secs Computing kpt #: 22 total cpu time spent up to now is 51.0 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.7 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.3 secs Computing kpt #: 25 total cpu time spent up to now is 61.1 secs Computing kpt #: 26 total cpu time spent up to now is 64.4 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.9 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.0 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.2 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.8 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.7 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.6 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.3 secs Computing kpt #: 34 total cpu time spent up to now is 96.9 secs Computing kpt #: 35 total cpu time spent up to now is 100.7 secs Computing kpt #: 36 total cpu time spent up to now is 103.9 secs Computing kpt #: 37 total cpu time spent up to now is 106.5 secs Computing kpt #: 38 total cpu time spent up to now is 109.0 secs Computing kpt #: 39 total cpu time spent up to now is 111.7 secs Computing kpt #: 40 total cpu time spent up to now is 115.1 secs Computing kpt #: 41 total cpu time spent up to now is 117.2 secs Computing kpt #: 42 total cpu time spent up to now is 119.3 secs Computing kpt #: 43 total cpu time spent up to now is 121.3 secs Computing kpt #: 44 total cpu time spent up to now is 123.0 secs Computing kpt #: 45 total cpu time spent up to now is 124.6 secs Computing kpt #: 46 total cpu time spent up to now is 126.4 secs Computing kpt #: 47 total cpu time spent up to now is 128.2 secs Computing kpt #: 48 total cpu time spent up to now is 129.9 secs Computing kpt #: 49 total cpu time spent up to now is 131.6 secs Computing kpt #: 50 total cpu time spent up to now is 133.4 secs Computing kpt #: 51 total cpu time spent up to now is 135.1 secs Computing kpt #: 52 total cpu time spent up to now is 136.9 secs Computing kpt #: 53 total cpu time spent up to now is 138.6 secs Computing kpt #: 54 total cpu time spent up to now is 140.8 secs Computing kpt #: 55 total cpu time spent up to now is 143.3 secs Computing kpt #: 56 total cpu time spent up to now is 146.1 secs Computing kpt #: 57 total cpu time spent up to now is 147.8 secs Computing kpt #: 58 total cpu time spent up to now is 149.7 secs Computing kpt #: 59 total cpu time spent up to now is 152.0 secs Computing kpt #: 60 total cpu time spent up to now is 154.5 secs Computing kpt #: 61 total cpu time spent up to now is 156.7 secs Computing kpt #: 62 total cpu time spent up to now is 158.8 secs Computing kpt #: 63 total cpu time spent up to now is 160.9 secs Computing kpt #: 64 total cpu time spent up to now is 162.9 secs Computing kpt #: 65 total cpu time spent up to now is 165.2 secs Computing kpt #: 66 total cpu time spent up to now is 167.5 secs Computing kpt #: 67 total cpu time spent up to now is 169.8 secs Computing kpt #: 68 total cpu time spent up to now is 172.0 secs Computing kpt #: 69 total cpu time spent up to now is 174.2 secs Computing kpt #: 70 total cpu time spent up to now is 176.5 secs Computing kpt #: 71 total cpu time spent up to now is 178.6 secs Computing kpt #: 72 total cpu time spent up to now is 181.0 secs Computing kpt #: 73 total cpu time spent up to now is 183.3 secs Computing kpt #: 74 total cpu time spent up to now is 184.9 secs Computing kpt #: 75 total cpu time spent up to now is 187.3 secs Computing kpt #: 76 total cpu time spent up to now is 190.0 secs Computing kpt #: 77 total cpu time spent up to now is 192.2 secs Computing kpt #: 78 total cpu time spent up to now is 194.8 secs Computing kpt #: 79 total cpu time spent up to now is 197.2 secs Computing kpt #: 80 total cpu time spent up to now is 198.8 secs Computing kpt #: 81 total cpu time spent up to now is 200.5 secs Computing kpt #: 82 total cpu time spent up to now is 202.3 secs Computing kpt #: 83 total cpu time spent up to now is 204.0 secs Computing kpt #: 84 total cpu time spent up to now is 205.6 secs Computing kpt #: 85 total cpu time spent up to now is 207.3 secs Computing kpt #: 86 total cpu time spent up to now is 208.9 secs Computing kpt #: 87 total cpu time spent up to now is 210.7 secs Computing kpt #: 88 total cpu time spent up to now is 212.4 secs Computing kpt #: 89 total cpu time spent up to now is 214.0 secs Computing kpt #: 90 total cpu time spent up to now is 215.8 secs Computing kpt #: 91 total cpu time spent up to now is 217.8 secs Computing kpt #: 92 total cpu time spent up to now is 220.3 secs Computing kpt #: 93 total cpu time spent up to now is 223.2 secs Computing kpt #: 94 total cpu time spent up to now is 224.8 secs Computing kpt #: 95 total cpu time spent up to now is 226.5 secs Computing kpt #: 96 total cpu time spent up to now is 228.1 secs Computing kpt #: 97 total cpu time spent up to now is 229.8 secs Computing kpt #: 98 total cpu time spent up to now is 231.4 secs Computing kpt #: 99 total cpu time spent up to now is 233.1 secs Computing kpt #: 100 total cpu time spent up to now is 234.9 secs Computing kpt #: 101 total cpu time spent up to now is 236.6 secs Computing kpt #: 102 total cpu time spent up to now is 238.1 secs Computing kpt #: 103 total cpu time spent up to now is 239.8 secs Computing kpt #: 104 total cpu time spent up to now is 241.5 secs Computing kpt #: 105 total cpu time spent up to now is 243.2 secs Computing kpt #: 106 total cpu time spent up to now is 244.9 secs Computing kpt #: 107 total cpu time spent up to now is 246.6 secs Computing kpt #: 108 total cpu time spent up to now is 248.3 secs Computing kpt #: 109 total cpu time spent up to now is 250.0 secs Computing kpt #: 110 total cpu time spent up to now is 251.7 secs Computing kpt #: 111 total cpu time spent up to now is 253.3 secs Computing kpt #: 112 total cpu time spent up to now is 255.1 secs Computing kpt #: 113 total cpu time spent up to now is 256.8 secs Computing kpt #: 114 total cpu time spent up to now is 258.6 secs Computing kpt #: 115 total cpu time spent up to now is 260.3 secs Computing kpt #: 116 total cpu time spent up to now is 262.0 secs Computing kpt #: 117 total cpu time spent up to now is 264.1 secs Computing kpt #: 118 total cpu time spent up to now is 266.5 secs Computing kpt #: 119 total cpu time spent up to now is 269.0 secs Computing kpt #: 120 total cpu time spent up to now is 271.8 secs Computing kpt #: 121 total cpu time spent up to now is 274.2 secs Computing kpt #: 122 total cpu time spent up to now is 277.2 secs Computing kpt #: 123 total cpu time spent up to now is 280.1 secs Computing kpt #: 124 total cpu time spent up to now is 283.7 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.9 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.4 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 297.8 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.6 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.4 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.7 secs Computing kpt #: 131 total cpu time spent up to now is 312.0 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.2 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.0 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.8 secs Computing kpt #: 135 total cpu time spent up to now is 329.0 secs Computing kpt #: 136 total cpu time spent up to now is 332.6 secs Computing kpt #: 137 total cpu time spent up to now is 335.3 secs Computing kpt #: 138 total cpu time spent up to now is 337.3 secs Computing kpt #: 139 total cpu time spent up to now is 339.1 secs Computing kpt #: 140 total cpu time spent up to now is 341.7 secs Computing kpt #: 141 total cpu time spent up to now is 344.5 secs Computing kpt #: 142 total cpu time spent up to now is 347.1 secs Computing kpt #: 143 total cpu time spent up to now is 349.6 secs Computing kpt #: 144 total cpu time spent up to now is 351.6 secs Computing kpt #: 145 total cpu time spent up to now is 353.5 secs Computing kpt #: 146 total cpu time spent up to now is 355.6 secs Computing kpt #: 147 total cpu time spent up to now is 357.5 secs Computing kpt #: 148 total cpu time spent up to now is 359.4 secs Computing kpt #: 149 total cpu time spent up to now is 361.3 secs Computing kpt #: 150 total cpu time spent up to now is 363.6 secs Computing kpt #: 151 total cpu time spent up to now is 366.2 secs Computing kpt #: 152 total cpu time spent up to now is 368.2 secs Computing kpt #: 153 total cpu time spent up to now is 369.9 secs Computing kpt #: 154 total cpu time spent up to now is 372.1 secs Computing kpt #: 155 total cpu time spent up to now is 373.8 secs Computing kpt #: 156 total cpu time spent up to now is 375.4 secs Computing kpt #: 157 total cpu time spent up to now is 377.1 secs Computing kpt #: 158 total cpu time spent up to now is 378.6 secs Computing kpt #: 159 total cpu time spent up to now is 380.2 secs Computing kpt #: 160 total cpu time spent up to now is 381.8 secs Computing kpt #: 161 total cpu time spent up to now is 383.5 secs Computing kpt #: 162 total cpu time spent up to now is 385.2 secs Computing kpt #: 163 total cpu time spent up to now is 387.0 secs Computing kpt #: 164 total cpu time spent up to now is 388.5 secs Computing kpt #: 165 total cpu time spent up to now is 390.5 secs Computing kpt #: 166 total cpu time spent up to now is 393.1 secs Computing kpt #: 167 total cpu time spent up to now is 394.7 secs Computing kpt #: 168 total cpu time spent up to now is 396.7 secs Computing kpt #: 169 total cpu time spent up to now is 398.7 secs Computing kpt #: 170 total cpu time spent up to now is 400.8 secs Computing kpt #: 171 total cpu time spent up to now is 402.9 secs Computing kpt #: 172 total cpu time spent up to now is 405.0 secs Computing kpt #: 173 total cpu time spent up to now is 407.7 secs Computing kpt #: 174 total cpu time spent up to now is 410.0 secs Computing kpt #: 175 total cpu time spent up to now is 412.6 secs Computing kpt #: 176 total cpu time spent up to now is 415.0 secs Computing kpt #: 177 total cpu time spent up to now is 417.8 secs Computing kpt #: 178 total cpu time spent up to now is 420.6 secs Computing kpt #: 179 total cpu time spent up to now is 423.9 secs Computing kpt #: 180 total cpu time spent up to now is 426.6 secs Computing kpt #: 181 total cpu time spent up to now is 428.8 secs Computing kpt #: 182 total cpu time spent up to now is 432.0 secs Computing kpt #: 183 total cpu time spent up to now is 434.6 secs Computing kpt #: 184 total cpu time spent up to now is 437.1 secs Computing kpt #: 185 total cpu time spent up to now is 439.7 secs Computing kpt #: 186 total cpu time spent up to now is 441.6 secs Computing kpt #: 187 total cpu time spent up to now is 443.3 secs Computing kpt #: 188 total cpu time spent up to now is 445.3 secs Computing kpt #: 189 total cpu time spent up to now is 447.2 secs Computing kpt #: 190 total cpu time spent up to now is 448.9 secs Computing kpt #: 191 total cpu time spent up to now is 450.6 secs Computing kpt #: 192 total cpu time spent up to now is 452.4 secs Computing kpt #: 193 total cpu time spent up to now is 454.1 secs Computing kpt #: 194 total cpu time spent up to now is 456.2 secs Computing kpt #: 195 total cpu time spent up to now is 459.0 secs Computing kpt #: 196 total cpu time spent up to now is 461.8 secs Computing kpt #: 197 total cpu time spent up to now is 464.5 secs Computing kpt #: 198 total cpu time spent up to now is 466.7 secs Computing kpt #: 199 total cpu time spent up to now is 469.4 secs Computing kpt #: 200 total cpu time spent up to now is 471.9 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.5 secs Computing kpt #: 202 total cpu time spent up to now is 479.2 secs Computing kpt #: 203 total cpu time spent up to now is 483.0 secs Computing kpt #: 204 total cpu time spent up to now is 486.7 secs Computing kpt #: 205 total cpu time spent up to now is 490.7 secs Computing kpt #: 206 total cpu time spent up to now is 493.7 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.6 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.4 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.1 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.4 secs Computing kpt #: 211 total cpu time spent up to now is 513.3 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.1 secs Computing kpt #: 213 total cpu time spent up to now is 518.8 secs Computing kpt #: 214 total cpu time spent up to now is 520.6 secs Computing kpt #: 215 total cpu time spent up to now is 522.3 secs Computing kpt #: 216 total cpu time spent up to now is 524.0 secs Computing kpt #: 217 total cpu time spent up to now is 525.6 secs Computing kpt #: 218 total cpu time spent up to now is 527.3 secs Computing kpt #: 219 total cpu time spent up to now is 529.0 secs Computing kpt #: 220 total cpu time spent up to now is 530.5 secs Computing kpt #: 221 total cpu time spent up to now is 532.2 secs Computing kpt #: 222 total cpu time spent up to now is 533.9 secs Computing kpt #: 223 total cpu time spent up to now is 535.6 secs Computing kpt #: 224 total cpu time spent up to now is 537.5 secs Computing kpt #: 225 total cpu time spent up to now is 539.4 secs Computing kpt #: 226 total cpu time spent up to now is 541.5 secs Computing kpt #: 227 total cpu time spent up to now is 543.2 secs Computing kpt #: 228 total cpu time spent up to now is 544.9 secs Computing kpt #: 229 total cpu time spent up to now is 546.6 secs Computing kpt #: 230 total cpu time spent up to now is 548.3 secs ethr = 2.00E-08, avg # of iterations = 55.8 total cpu time spent up to now is 548.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -13.7706 -13.7706 -13.7192 -13.7192 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4531 -3.4531 -2.5192 -2.5192 -2.4680 -2.4680 -2.4336 -2.4336 -2.3297 -2.3297 -2.1844 -2.1844 -2.1455 -2.1455 -2.1189 -2.1189 -1.9454 -1.9454 -1.8533 -1.8533 -1.8359 -1.8359 -1.7916 -1.7916 -1.7859 -1.7859 -1.6807 -1.6807 -0.3052 -0.3052 -0.2065 -0.2065 -0.1572 -0.1572 -0.0562 -0.0562 0.0373 0.0373 0.6369 0.6369 0.6869 0.6869 0.8723 0.8723 0.9368 0.9368 1.9386 1.9386 k = 0.0161 0.0093-0.0000 ( 11981 PWs) bands (ev): -13.7701 -13.7701 -13.7188 -13.7188 -13.1148 -13.1148 -13.1145 -13.1145 -13.1047 -13.1047 -13.1039 -13.1039 -3.4522 -3.4522 -2.5239 -2.5239 -2.4693 -2.4693 -2.4354 -2.4354 -2.3314 -2.3314 -2.1811 -2.1811 -2.1429 -2.1429 -2.1185 -2.1185 -1.9491 -1.9491 -1.8481 -1.8481 -1.8324 -1.8324 -1.7926 -1.7926 -1.7864 -1.7864 -1.6750 -1.6750 -0.3050 -0.3050 -0.2078 -0.2078 -0.1587 -0.1587 -0.0583 -0.0583 0.0351 0.0351 0.6334 0.6334 0.6810 0.6810 0.8786 0.8786 0.9408 0.9408 1.9387 1.9387 k = 0.0323 0.0186-0.0000 ( 11962 PWs) bands (ev): -13.7687 -13.7687 -13.7175 -13.7175 -13.1155 -13.1155 -13.1153 -13.1153 -13.1055 -13.1055 -13.1047 -13.1047 -3.4497 -3.4497 -2.5371 -2.5371 -2.4731 -2.4731 -2.4404 -2.4404 -2.3364 -2.3364 -2.1743 -2.1743 -2.1346 -2.1346 -2.1161 -2.1161 -1.9581 -1.9581 -1.8362 -1.8362 -1.8216 -1.8216 -1.7964 -1.7964 -1.7846 -1.7846 -1.6594 -1.6594 -0.3043 -0.3043 -0.2121 -0.2121 -0.1628 -0.1628 -0.0651 -0.0651 0.0286 0.0286 0.6231 0.6231 0.6653 0.6653 0.8957 0.8957 0.9522 0.9522 1.9392 1.9392 k = 0.0484 0.0279-0.0000 ( 11976 PWs) bands (ev): -13.7665 -13.7665 -13.7155 -13.7155 -13.1168 -13.1168 -13.1166 -13.1166 -13.1069 -13.1069 -13.1060 -13.1060 -3.4455 -3.4455 -2.5567 -2.5567 -2.4792 -2.4792 -2.4482 -2.4482 -2.3441 -2.3441 -2.1686 -2.1686 -2.1264 -2.1264 -2.1042 -2.1042 -1.9689 -1.9689 -1.8249 -1.8249 -1.8060 -1.8060 -1.7988 -1.7988 -1.7762 -1.7762 -1.6366 -1.6366 -0.3034 -0.3034 -0.2198 -0.2198 -0.1689 -0.1689 -0.0771 -0.0771 0.0189 0.0189 0.6075 0.6075 0.6434 0.6434 0.9197 0.9197 0.9699 0.9699 1.9399 1.9399 k = 0.0645 0.0372-0.0000 ( 11976 PWs) bands (ev): -13.7633 -13.7633 -13.7126 -13.7126 -13.1187 -13.1187 -13.1184 -13.1184 -13.1089 -13.1089 -13.1077 -13.1077 -3.4397 -3.4397 -2.5805 -2.5805 -2.4872 -2.4872 -2.4581 -2.4581 -2.3539 -2.3539 -2.1650 -2.1650 -2.1244 -2.1244 -2.0795 -2.0795 -1.9795 -1.9795 -1.8222 -1.8222 -1.7952 -1.7952 -1.7882 -1.7882 -1.7556 -1.7556 -1.6085 -1.6085 -0.3030 -0.3030 -0.2314 -0.2314 -0.1759 -0.1759 -0.0950 -0.0950 0.0069 0.0069 0.5879 0.5879 0.6181 0.6181 0.9476 0.9476 0.9926 0.9926 1.9408 1.9408 k = 0.0806 0.0466-0.0000 ( 11994 PWs) bands (ev): -13.7593 -13.7593 -13.7089 -13.7089 -13.1211 -13.1211 -13.1207 -13.1207 -13.1115 -13.1115 -13.1098 -13.1098 -3.4322 -3.4322 -2.6067 -2.6067 -2.4967 -2.4967 -2.4694 -2.4694 -2.3650 -2.3650 -2.1627 -2.1627 -2.1243 -2.1243 -2.0516 -2.0516 -1.9872 -1.9872 -1.8253 -1.8253 -1.7885 -1.7885 -1.7661 -1.7661 -1.7249 -1.7249 -1.5765 -1.5765 -0.3044 -0.3044 -0.2464 -0.2464 -0.1831 -0.1831 -0.1193 -0.1193 -0.0062 -0.0062 0.5656 0.5656 0.5911 0.5911 0.9776 0.9776 1.0192 1.0192 1.9418 1.9418 k = 0.0968 0.0559-0.0000 ( 11992 PWs) bands (ev): -13.7544 -13.7544 -13.7045 -13.7045 -13.1241 -13.1241 -13.1234 -13.1234 -13.1148 -13.1148 -13.1122 -13.1122 -3.4232 -3.4232 -2.6342 -2.6342 -2.5071 -2.5071 -2.4817 -2.4817 -2.3769 -2.3769 -2.1612 -2.1612 -2.1248 -2.1248 -2.0324 -2.0324 -1.9850 -1.9850 -1.8287 -1.8287 -1.7800 -1.7800 -1.7394 -1.7394 -1.6886 -1.6886 -1.5411 -1.5411 -0.3111 -0.3111 -0.2619 -0.2619 -0.1903 -0.1903 -0.1495 -0.1495 -0.0198 -0.0198 0.5412 0.5412 0.5633 0.5633 1.0083 1.0083 1.0491 1.0491 1.9427 1.9427 k = 0.1129 0.0652-0.0000 ( 12002 PWs) bands (ev): -13.7486 -13.7486 -13.6992 -13.6992 -13.1278 -13.1278 -13.1266 -13.1266 -13.1186 -13.1186 -13.1149 -13.1149 -3.4126 -3.4126 -2.6620 -2.6620 -2.5181 -2.5181 -2.4945 -2.4945 -2.3887 -2.3887 -2.1606 -2.1606 -2.1251 -2.1251 -2.0314 -2.0314 -1.9667 -1.9667 -1.8312 -1.8312 -1.7671 -1.7671 -1.7093 -1.7093 -1.6484 -1.6484 -1.5029 -1.5029 -0.3284 -0.3284 -0.2740 -0.2740 -0.1996 -0.1996 -0.1815 -0.1815 -0.0338 -0.0338 0.5155 0.5155 0.5353 0.5353 1.0392 1.0392 1.0817 1.0817 1.9436 1.9436 k = 0.1290 0.0745-0.0000 ( 11982 PWs) bands (ev): -13.7420 -13.7420 -13.6932 -13.6932 -13.1321 -13.1321 -13.1303 -13.1303 -13.1228 -13.1228 -13.1178 -13.1178 -3.4006 -3.4006 -2.6896 -2.6896 -2.5291 -2.5291 -2.5076 -2.5076 -2.3999 -2.3999 -2.1612 -2.1612 -2.1249 -2.1249 -2.0388 -2.0388 -1.9455 -1.9455 -1.8326 -1.8326 -1.7474 -1.7474 -1.6765 -1.6765 -1.6051 -1.6051 -1.4624 -1.4624 -0.3565 -0.3565 -0.2871 -0.2871 -0.2237 -0.2237 -0.1971 -0.1971 -0.0483 -0.0483 0.4887 0.4887 0.5076 0.5076 1.0699 1.0699 1.1165 1.1165 1.9443 1.9443 k = 0.1452 0.0838-0.0000 ( 11988 PWs) bands (ev): -13.7345 -13.7345 -13.6864 -13.6864 -13.1372 -13.1372 -13.1347 -13.1347 -13.1274 -13.1274 -13.1210 -13.1210 -3.3871 -3.3871 -2.7168 -2.7168 -2.5399 -2.5399 -2.5205 -2.5205 -2.4097 -2.4097 -2.1631 -2.1631 -2.1237 -2.1237 -2.0482 -2.0482 -1.9295 -1.9295 -1.8331 -1.8331 -1.7194 -1.7194 -1.6416 -1.6416 -1.5591 -1.5591 -1.4199 -1.4199 -0.3920 -0.3920 -0.3155 -0.3155 -0.2450 -0.2450 -0.2022 -0.2022 -0.0636 -0.0636 0.4608 0.4608 0.4805 0.4805 1.1002 1.1002 1.1529 1.1529 1.9448 1.9449 k = 0.1613 0.0931-0.0000 ( 11986 PWs) bands (ev): -13.7262 -13.7262 -13.6789 -13.6789 -13.1429 -13.1429 -13.1401 -13.1401 -13.1319 -13.1319 -13.1243 -13.1243 -3.3722 -3.3722 -2.7433 -2.7433 -2.5509 -2.5509 -2.5324 -2.5324 -2.4177 -2.4177 -2.1665 -2.1665 -2.1214 -2.1214 -2.0580 -2.0580 -1.9206 -1.9206 -1.8327 -1.8327 -1.6837 -1.6837 -1.6050 -1.6050 -1.5107 -1.5107 -1.3758 -1.3758 -0.4327 -0.4327 -0.3619 -0.3619 -0.2547 -0.2547 -0.2041 -0.2041 -0.0797 -0.0797 0.4322 0.4322 0.4542 0.4542 1.1301 1.1301 1.1905 1.1905 1.9453 1.9453 k = 0.1774 0.1024-0.0000 ( 11994 PWs) bands (ev): -13.7172 -13.7172 -13.6706 -13.6706 -13.1494 -13.1494 -13.1464 -13.1464 -13.1364 -13.1364 -13.1276 -13.1276 -3.3561 -3.3561 -2.7689 -2.7689 -2.5630 -2.5630 -2.5421 -2.5421 -2.4233 -2.4233 -2.1709 -2.1709 -2.1181 -2.1181 -2.0677 -2.0677 -1.9176 -1.9176 -1.8316 -1.8316 -1.6423 -1.6423 -1.5671 -1.5671 -1.4602 -1.4602 -1.3304 -1.3304 -0.4774 -0.4774 -0.4174 -0.4174 -0.2617 -0.2617 -0.2031 -0.2031 -0.0968 -0.0968 0.4030 0.4030 0.4288 0.4288 1.1595 1.1595 1.2291 1.2291 1.9456 1.9456 k = 0.1935 0.1117-0.0000 ( 11998 PWs) bands (ev): -13.7073 -13.7073 -13.6617 -13.6617 -13.1566 -13.1566 -13.1538 -13.1538 -13.1408 -13.1408 -13.1311 -13.1311 -3.3389 -3.3389 -2.7935 -2.7935 -2.5766 -2.5766 -2.5487 -2.5487 -2.4264 -2.4264 -2.1761 -2.1761 -2.1142 -2.1142 -2.0768 -2.0768 -1.9193 -1.9193 -1.8298 -1.8298 -1.5970 -1.5970 -1.5282 -1.5282 -1.4080 -1.4080 -1.2841 -1.2841 -0.5256 -0.5256 -0.4780 -0.4780 -0.2695 -0.2695 -0.1994 -0.1994 -0.1149 -0.1149 0.3735 0.3735 0.4044 0.4044 1.1883 1.1883 1.2682 1.2682 1.9458 1.9458 k = 0.2097 0.1211-0.0000 ( 11992 PWs) bands (ev): -13.6968 -13.6968 -13.6520 -13.6520 -13.1645 -13.1645 -13.1620 -13.1620 -13.1450 -13.1450 -13.1345 -13.1345 -3.3205 -3.3205 -2.8171 -2.8171 -2.5913 -2.5913 -2.5523 -2.5523 -2.4269 -2.4269 -2.1819 -2.1819 -2.1104 -2.1104 -2.0846 -2.0846 -1.9245 -1.9245 -1.8275 -1.8275 -1.5496 -1.5496 -1.4886 -1.4886 -1.3542 -1.3542 -1.2373 -1.2373 -0.5767 -0.5767 -0.5420 -0.5420 -0.2789 -0.2789 -0.1939 -0.1939 -0.1338 -0.1338 0.3437 0.3437 0.3809 0.3809 1.2165 1.2165 1.3076 1.3076 1.9459 1.9459 k = 0.2258 0.1304-0.0000 ( 11996 PWs) bands (ev): -13.6855 -13.6855 -13.6417 -13.6417 -13.1731 -13.1731 -13.1711 -13.1711 -13.1492 -13.1492 -13.1380 -13.1380 -3.3013 -3.3013 -2.8394 -2.8394 -2.6067 -2.6067 -2.5531 -2.5531 -2.4246 -2.4246 -2.1877 -2.1877 -2.1086 -2.1086 -2.0894 -2.0894 -1.9322 -1.9322 -1.8248 -1.8248 -1.5009 -1.5009 -1.4484 -1.4484 -1.2993 -1.2993 -1.1904 -1.1904 -0.6303 -0.6303 -0.6082 -0.6082 -0.2898 -0.2898 -0.1879 -0.1879 -0.1529 -0.1529 0.3139 0.3139 0.3584 0.3584 1.2439 1.2439 1.3471 1.3471 1.9460 1.9460 k = 0.2419 0.1397-0.0000 ( 11992 PWs) bands (ev): -13.6735 -13.6735 -13.6308 -13.6308 -13.1824 -13.1824 -13.1810 -13.1810 -13.1533 -13.1533 -13.1415 -13.1415 -3.2814 -3.2814 -2.8605 -2.8605 -2.6222 -2.6222 -2.5514 -2.5514 -2.4198 -2.4198 -2.1936 -2.1936 -2.1112 -2.1112 -2.0885 -2.0885 -1.9419 -1.9419 -1.8218 -1.8218 -1.4519 -1.4519 -1.4078 -1.4078 -1.2436 -1.2436 -1.1439 -1.1439 -0.6866 -0.6866 -0.6755 -0.6755 -0.3020 -0.3020 -0.1870 -0.1870 -0.1672 -0.1672 0.2842 0.2842 0.3369 0.3369 1.2705 1.2705 1.3866 1.3866 1.9460 1.9460 k = 0.2581 0.1490-0.0000 ( 11982 PWs) bands (ev): -13.6609 -13.6609 -13.6193 -13.6193 -13.1924 -13.1924 -13.1916 -13.1916 -13.1573 -13.1573 -13.1449 -13.1449 -3.2610 -3.2610 -2.8800 -2.8800 -2.6375 -2.6375 -2.5474 -2.5474 -2.4126 -2.4126 -2.1991 -2.1991 -2.1166 -2.1166 -2.0839 -2.0839 -1.9529 -1.9529 -1.8186 -1.8186 -1.4030 -1.4030 -1.3670 -1.3670 -1.1877 -1.1877 -1.0982 -1.0982 -0.7486 -0.7486 -0.7392 -0.7392 -0.3153 -0.3153 -0.2028 -0.2028 -0.1653 -0.1653 0.2548 0.2548 0.3165 0.3165 1.2960 1.2960 1.4258 1.4258 1.9459 1.9459 k = 0.2742 0.1583-0.0000 ( 11998 PWs) bands (ev): -13.6476 -13.6476 -13.6073 -13.6073 -13.2033 -13.2033 -13.2026 -13.2026 -13.1613 -13.1613 -13.1483 -13.1483 -3.2403 -3.2403 -2.8979 -2.8979 -2.6525 -2.6525 -2.5413 -2.5413 -2.4033 -2.4033 -2.2040 -2.2040 -2.1222 -2.1222 -2.0778 -2.0778 -1.9648 -1.9648 -1.8154 -1.8154 -1.3549 -1.3549 -1.3261 -1.3261 -1.1323 -1.1323 -1.0541 -1.0541 -0.8165 -0.8165 -0.7976 -0.7976 -0.3297 -0.3297 -0.2249 -0.2249 -0.1581 -0.1581 0.2258 0.2258 0.2971 0.2971 1.3204 1.3204 1.4644 1.4644 1.9457 1.9457 k = 0.2903 0.1676-0.0000 ( 12004 PWs) bands (ev): -13.6338 -13.6338 -13.5947 -13.5947 -13.2152 -13.2152 -13.2140 -13.2140 -13.1651 -13.1651 -13.1515 -13.1515 -3.2198 -3.2198 -2.9139 -2.9139 -2.6669 -2.6669 -2.5334 -2.5334 -2.3922 -2.3922 -2.2081 -2.2081 -2.1274 -2.1274 -2.0713 -2.0713 -1.9767 -1.9767 -1.8121 -1.8121 -1.3082 -1.3082 -1.2853 -1.2853 -1.0790 -1.0790 -1.0134 -1.0134 -0.8837 -0.8837 -0.8532 -0.8532 -0.3451 -0.3451 -0.2486 -0.2486 -0.1505 -0.1505 0.1974 0.1974 0.2789 0.2789 1.3435 1.3435 1.5024 1.5024 1.9454 1.9454 k = 0.3065 0.1769-0.0000 ( 11992 PWs) bands (ev): -13.6194 -13.6194 -13.5816 -13.5816 -13.2278 -13.2278 -13.2257 -13.2257 -13.1687 -13.1687 -13.1546 -13.1546 -3.1998 -3.1998 -2.9278 -2.9278 -2.6807 -2.6807 -2.5240 -2.5240 -2.3798 -2.3798 -2.2110 -2.2110 -2.1319 -2.1319 -2.0647 -2.0647 -1.9880 -1.9880 -1.8087 -1.8087 -1.2640 -1.2640 -1.2449 -1.2449 -1.0360 -1.0360 -0.9834 -0.9834 -0.9415 -0.9415 -0.8984 -0.8984 -0.3614 -0.3614 -0.2732 -0.2732 -0.1433 -0.1433 0.1698 0.1698 0.2619 0.2619 1.3651 1.3651 1.5394 1.5394 1.9449 1.9449 k = 0.3226 0.1862-0.0000 ( 11994 PWs) bands (ev): -13.6046 -13.6046 -13.5680 -13.5680 -13.2411 -13.2411 -13.2381 -13.2381 -13.1722 -13.1722 -13.1576 -13.1576 -3.1808 -3.1808 -2.9390 -2.9390 -2.6936 -2.6936 -2.5135 -2.5135 -2.3668 -2.3668 -2.2124 -2.2124 -2.1359 -2.1359 -2.0585 -2.0585 -1.9973 -1.9973 -1.8051 -1.8051 -1.2245 -1.2245 -1.2067 -1.2067 -1.0448 -1.0448 -0.9991 -0.9991 -0.9412 -0.9412 -0.9017 -0.9017 -0.3788 -0.3788 -0.2984 -0.2984 -0.1372 -0.1372 0.1434 0.1434 0.2461 0.2461 1.3852 1.3852 1.5752 1.5752 1.9444 1.9444 k = 0.3387 0.1956-0.0000 ( 11994 PWs) bands (ev): -13.5893 -13.5893 -13.5540 -13.5540 -13.2549 -13.2549 -13.2509 -13.2509 -13.1754 -13.1754 -13.1604 -13.1604 -3.1636 -3.1636 -2.9473 -2.9473 -2.7056 -2.7056 -2.5024 -2.5024 -2.3540 -2.3540 -2.2116 -2.2116 -2.1399 -2.1399 -2.0528 -2.0528 -2.0034 -2.0034 -1.8014 -1.8014 -1.1964 -1.1964 -1.1799 -1.1799 -1.0840 -1.0840 -1.0413 -1.0413 -0.8972 -0.8972 -0.8735 -0.8735 -0.3972 -0.3972 -0.3239 -0.3239 -0.1326 -0.1326 0.1186 0.1186 0.2316 0.2316 1.4036 1.4036 1.6096 1.6096 1.9436 1.9436 k = 0.3548 0.2049-0.0000 ( 11998 PWs) bands (ev): -13.5736 -13.5736 -13.5396 -13.5396 -13.2693 -13.2693 -13.2642 -13.2642 -13.1785 -13.1785 -13.1630 -13.1630 -3.1487 -3.1487 -2.9522 -2.9522 -2.7167 -2.7167 -2.4912 -2.4912 -2.3422 -2.3422 -2.2083 -2.2083 -2.1445 -2.1445 -2.0473 -2.0473 -2.0049 -2.0049 -1.7974 -1.7974 -1.2143 -1.2143 -1.1774 -1.1774 -1.0827 -1.0827 -1.0672 -1.0672 -0.8493 -0.8493 -0.8406 -0.8406 -0.4165 -0.4165 -0.3497 -0.3497 -0.1300 -0.1300 0.0958 0.0958 0.2183 0.2183 1.4202 1.4202 1.6423 1.6423 1.9428 1.9428 k = 0.3710 0.2142-0.0000 ( 11994 PWs) bands (ev): -13.5575 -13.5575 -13.5249 -13.5249 -13.2842 -13.2842 -13.2780 -13.2780 -13.1812 -13.1812 -13.1653 -13.1653 -3.1369 -3.1369 -2.9534 -2.9534 -2.7267 -2.7267 -2.4803 -2.4803 -2.3324 -2.3324 -2.2024 -2.2024 -2.1504 -2.1504 -2.0406 -2.0406 -2.0020 -2.0020 -1.7928 -1.7928 -1.2696 -1.2696 -1.2077 -1.2077 -1.0618 -1.0618 -1.0457 -1.0457 -0.8129 -0.8129 -0.7986 -0.7986 -0.4368 -0.4368 -0.3752 -0.3752 -0.1301 -0.1301 0.0757 0.0757 0.2063 0.2063 1.4350 1.4350 1.6731 1.6731 1.9418 1.9418 k = 0.3871 0.2235-0.0000 ( 11994 PWs) bands (ev): -13.5412 -13.5412 -13.5099 -13.5099 -13.2995 -13.2995 -13.2922 -13.2922 -13.1837 -13.1837 -13.1675 -13.1675 -3.1284 -3.1284 -2.9509 -2.9509 -2.7357 -2.7357 -2.4703 -2.4703 -2.3249 -2.3249 -2.1945 -2.1945 -2.1573 -2.1573 -2.0307 -2.0307 -1.9954 -1.9954 -1.7875 -1.7875 -1.3315 -1.3315 -1.2562 -1.2562 -1.0333 -1.0333 -1.0075 -1.0075 -0.7856 -0.7856 -0.7529 -0.7529 -0.4579 -0.4579 -0.4001 -0.4001 -0.1331 -0.1331 0.0588 0.0588 0.1956 0.1956 1.4478 1.4478 1.7016 1.7016 1.9408 1.9408 k = 0.4032 0.2328-0.0000 ( 11998 PWs) bands (ev): -13.5246 -13.5246 -13.4947 -13.4947 -13.3151 -13.3151 -13.3067 -13.3067 -13.1859 -13.1859 -13.1693 -13.1693 -3.1229 -3.1229 -2.9453 -2.9453 -2.7436 -2.7436 -2.4614 -2.4614 -2.3198 -2.3198 -2.1877 -2.1877 -2.1625 -2.1625 -2.0168 -2.0168 -1.9863 -1.9863 -1.7811 -1.7811 -1.3936 -1.3936 -1.3086 -1.3086 -1.0011 -1.0011 -0.9684 -0.9684 -0.7628 -0.7628 -0.7100 -0.7100 -0.4797 -0.4797 -0.4239 -0.4239 -0.1393 -0.1393 0.0454 0.0454 0.1863 0.1863 1.4588 1.4588 1.7275 1.7275 1.9398 1.9398 k = 0.4194 0.2421-0.0000 ( 12000 PWs) bands (ev): -13.5079 -13.5079 -13.4792 -13.4792 -13.3310 -13.3310 -13.3215 -13.3215 -13.1878 -13.1878 -13.1710 -13.1710 -3.1200 -3.1200 -2.9377 -2.9377 -2.7502 -2.7502 -2.4539 -2.4539 -2.3165 -2.3165 -2.1884 -2.1884 -2.1598 -2.1598 -1.9997 -1.9997 -1.9746 -1.9746 -1.7733 -1.7733 -1.4537 -1.4537 -1.3604 -1.3604 -0.9690 -0.9690 -0.9307 -0.9307 -0.7446 -0.7446 -0.6708 -0.6708 -0.5020 -0.5020 -0.4458 -0.4458 -0.1483 -0.1483 0.0356 0.0356 0.1784 0.1784 1.4680 1.4680 1.7505 1.7505 1.9389 1.9389 k = 0.4355 0.2514-0.0000 ( 11996 PWs) bands (ev): -13.4912 -13.4912 -13.4635 -13.4635 -13.3471 -13.3471 -13.3367 -13.3367 -13.1894 -13.1894 -13.1723 -13.1723 -3.1188 -3.1188 -2.9293 -2.9293 -2.7557 -2.7557 -2.4480 -2.4480 -2.3146 -2.3146 -2.1953 -2.1953 -2.1511 -2.1511 -1.9826 -1.9826 -1.9587 -1.9587 -1.7637 -1.7637 -1.5102 -1.5102 -1.4094 -1.4094 -0.9385 -0.9385 -0.8956 -0.8956 -0.7316 -0.7316 -0.6362 -0.6362 -0.5240 -0.5240 -0.4650 -0.4650 -0.1591 -0.1591 0.0289 0.0289 0.1719 0.1719 1.4753 1.4753 1.7703 1.7703 1.9381 1.9382 k = 0.4516 0.2607-0.0000 ( 12000 PWs) bands (ev): -13.4746 -13.4746 -13.4478 -13.4478 -13.3632 -13.3632 -13.3520 -13.3520 -13.1906 -13.1906 -13.1734 -13.1734 -3.1186 -3.1186 -2.9214 -2.9214 -2.7601 -2.7601 -2.4435 -2.4435 -2.3136 -2.3136 -2.2028 -2.2028 -2.1421 -2.1421 -1.9692 -1.9692 -1.9371 -1.9371 -1.7527 -1.7527 -1.5615 -1.5615 -1.4537 -1.4537 -0.9112 -0.9112 -0.8644 -0.8644 -0.7237 -0.7237 -0.6075 -0.6075 -0.5449 -0.5449 -0.4806 -0.4806 -0.1702 -0.1702 0.0246 0.0246 0.1669 0.1669 1.4810 1.4810 1.7863 1.7863 1.9376 1.9377 k = 0.4677 0.2701-0.0000 ( 12010 PWs) bands (ev): -13.4588 -13.4588 -13.4321 -13.4321 -13.3787 -13.3787 -13.3674 -13.3674 -13.1915 -13.1915 -13.1741 -13.1741 -3.1188 -3.1188 -2.9150 -2.9150 -2.7631 -2.7631 -2.4404 -2.4404 -2.3130 -2.3130 -2.2089 -2.2089 -2.1350 -2.1350 -1.9600 -1.9600 -1.9134 -1.9134 -1.7414 -1.7414 -1.6046 -1.6046 -1.4907 -1.4907 -0.8888 -0.8888 -0.8392 -0.8392 -0.7201 -0.7201 -0.5866 -0.5866 -0.5621 -0.5621 -0.4920 -0.4920 -0.1800 -0.1800 0.0220 0.0220 0.1632 0.1632 1.4849 1.4849 1.7983 1.7983 1.9374 1.9374 k = 0.4839 0.2794-0.0000 ( 12020 PWs) bands (ev): -13.4449 -13.4449 -13.4167 -13.4167 -13.3923 -13.3923 -13.3826 -13.3826 -13.1920 -13.1920 -13.1746 -13.1746 -3.1190 -3.1190 -2.9109 -2.9109 -2.7650 -2.7650 -2.4386 -2.4386 -2.3128 -2.3128 -2.2129 -2.2129 -2.1304 -2.1304 -1.9544 -1.9544 -1.8937 -1.8937 -1.7326 -1.7326 -1.6345 -1.6345 -1.5163 -1.5163 -0.8736 -0.8736 -0.8225 -0.8225 -0.7191 -0.7191 -0.5813 -0.5813 -0.5665 -0.5665 -0.4989 -0.4989 -0.1867 -0.1867 0.0207 0.0207 0.1611 0.1611 1.4873 1.4873 1.8057 1.8057 1.9373 1.9373 k = 0.5000 0.2887-0.0000 ( 12026 PWs) bands (ev): -13.4383 -13.4383 -13.4059 -13.4059 -13.3988 -13.3988 -13.3935 -13.3935 -13.1922 -13.1922 -13.1747 -13.1747 -3.1192 -3.1192 -2.9094 -2.9094 -2.7656 -2.7656 -2.4381 -2.4381 -2.3127 -2.3127 -2.2143 -2.2143 -2.1289 -2.1289 -1.9525 -1.9525 -1.8857 -1.8857 -1.7294 -1.7294 -1.6454 -1.6454 -1.5258 -1.5258 -0.8681 -0.8681 -0.8166 -0.8166 -0.7191 -0.7191 -0.5844 -0.5844 -0.5634 -0.5634 -0.5012 -0.5012 -0.1891 -0.1891 0.0203 0.0203 0.1603 0.1603 1.4881 1.4881 1.8082 1.8082 1.9373 1.9374 k = 0.5000 0.2887-0.0000 ( 12026 PWs) bands (ev): -13.4383 -13.4383 -13.4059 -13.4059 -13.3988 -13.3988 -13.3935 -13.3935 -13.1922 -13.1922 -13.1747 -13.1747 -3.1192 -3.1192 -2.9094 -2.9094 -2.7656 -2.7656 -2.4381 -2.4381 -2.3127 -2.3127 -2.2143 -2.2143 -2.1289 -2.1289 -1.9525 -1.9525 -1.8857 -1.8857 -1.7294 -1.7294 -1.6454 -1.6454 -1.5258 -1.5258 -0.8681 -0.8681 -0.8166 -0.8166 -0.7191 -0.7191 -0.5844 -0.5844 -0.5634 -0.5634 -0.5012 -0.5012 -0.1891 -0.1891 0.0203 0.0203 0.1603 0.1603 1.4881 1.4881 1.8082 1.8082 1.9373 1.9374 k = 0.4907 0.3047-0.0000 ( 12024 PWs) bands (ev): -13.4380 -13.4380 -13.4056 -13.4056 -13.3986 -13.3986 -13.3932 -13.3932 -13.1927 -13.1927 -13.1753 -13.1753 -3.1177 -3.1177 -2.9091 -2.9091 -2.7641 -2.7641 -2.4388 -2.4388 -2.3127 -2.3127 -2.2130 -2.2130 -2.1295 -2.1295 -1.9542 -1.9542 -1.8868 -1.8868 -1.7314 -1.7314 -1.6480 -1.6480 -1.5265 -1.5265 -0.8695 -0.8695 -0.8127 -0.8127 -0.7174 -0.7174 -0.5829 -0.5829 -0.5629 -0.5629 -0.5007 -0.5007 -0.1890 -0.1890 0.0200 0.0200 0.1597 0.1597 1.4893 1.4893 1.8074 1.8074 1.9352 1.9352 k = 0.4815 0.3208-0.0000 ( 12006 PWs) bands (ev): -13.4372 -13.4372 -13.4049 -13.4049 -13.3980 -13.3980 -13.3925 -13.3925 -13.1942 -13.1942 -13.1769 -13.1769 -3.1133 -3.1133 -2.9081 -2.9081 -2.7597 -2.7597 -2.4411 -2.4411 -2.3127 -2.3127 -2.2091 -2.2091 -2.1314 -2.1314 -1.9592 -1.9592 -1.8903 -1.8903 -1.7373 -1.7373 -1.6556 -1.6556 -1.5289 -1.5289 -0.8727 -0.8727 -0.8026 -0.8026 -0.7124 -0.7124 -0.5784 -0.5784 -0.5613 -0.5613 -0.4992 -0.4992 -0.1889 -0.1889 0.0192 0.0192 0.1579 0.1579 1.4928 1.4928 1.8054 1.8054 1.9304 1.9304 k = 0.4722 0.3368-0.0000 ( 12004 PWs) bands (ev): -13.4358 -13.4358 -13.4037 -13.4037 -13.3969 -13.3969 -13.3913 -13.3913 -13.1967 -13.1967 -13.1796 -13.1796 -3.1060 -3.1060 -2.9064 -2.9064 -2.7523 -2.7523 -2.4447 -2.4447 -2.3124 -2.3124 -2.2030 -2.2030 -2.1346 -2.1346 -1.9674 -1.9674 -1.8959 -1.8959 -1.7468 -1.7468 -1.6677 -1.6677 -1.5333 -1.5333 -0.8757 -0.8757 -0.7882 -0.7882 -0.7041 -0.7041 -0.5712 -0.5712 -0.5587 -0.5587 -0.4967 -0.4967 -0.1886 -0.1886 0.0177 0.0177 0.1549 0.1549 1.4987 1.4987 1.8020 1.8020 1.9243 1.9243 k = 0.4630 0.3528-0.0000 ( 12012 PWs) bands (ev): -13.4339 -13.4339 -13.4021 -13.4021 -13.3954 -13.3954 -13.3895 -13.3895 -13.2003 -13.2003 -13.1834 -13.1834 -3.0960 -3.0960 -2.9041 -2.9041 -2.7422 -2.7422 -2.4494 -2.4494 -2.3117 -2.3117 -2.1950 -2.1950 -2.1390 -2.1390 -1.9787 -1.9787 -1.9037 -1.9037 -1.7595 -1.7595 -1.6832 -1.6832 -1.5400 -1.5400 -0.8776 -0.8776 -0.7712 -0.7712 -0.6927 -0.6927 -0.5618 -0.5618 -0.5550 -0.5550 -0.4933 -0.4933 -0.1882 -0.1882 0.0158 0.0158 0.1508 0.1508 1.5068 1.5068 1.7976 1.7976 1.9178 1.9178 k = 0.4537 0.3689-0.0000 ( 12006 PWs) bands (ev): -13.4315 -13.4315 -13.4000 -13.4000 -13.3935 -13.3935 -13.3873 -13.3873 -13.2047 -13.2047 -13.1882 -13.1882 -3.0832 -3.0832 -2.9013 -2.9013 -2.7293 -2.7293 -2.4549 -2.4549 -2.3104 -2.3104 -2.1856 -2.1856 -2.1447 -2.1447 -1.9927 -1.9927 -1.9134 -1.9134 -1.7748 -1.7748 -1.7016 -1.7016 -1.5491 -1.5491 -0.8781 -0.8781 -0.7524 -0.7524 -0.6786 -0.6786 -0.5517 -0.5517 -0.5493 -0.5493 -0.4892 -0.4892 -0.1877 -0.1877 0.0133 0.0133 0.1454 0.1454 1.5170 1.5170 1.7924 1.7924 1.9110 1.9110 k = 0.4444 0.3849-0.0000 ( 12010 PWs) bands (ev): -13.4285 -13.4285 -13.3974 -13.3974 -13.3912 -13.3912 -13.3847 -13.3847 -13.2102 -13.2102 -13.1940 -13.1940 -3.0680 -3.0680 -2.8980 -2.8980 -2.7140 -2.7140 -2.4610 -2.4610 -2.3084 -2.3084 -2.1753 -2.1753 -2.1517 -2.1517 -2.0090 -2.0090 -1.9249 -1.9249 -1.7921 -1.7921 -1.7219 -1.7219 -1.5607 -1.5607 -0.8770 -0.8770 -0.7326 -0.7326 -0.6621 -0.6621 -0.5453 -0.5453 -0.5377 -0.5377 -0.4843 -0.4843 -0.1870 -0.1870 0.0103 0.0103 0.1388 0.1388 1.5290 1.5290 1.7865 1.7865 1.9041 1.9041 k = 0.4352 0.4009-0.0000 ( 12022 PWs) bands (ev): -13.4250 -13.4250 -13.3944 -13.3944 -13.3885 -13.3885 -13.3816 -13.3816 -13.2166 -13.2166 -13.2007 -13.2007 -3.0506 -3.0506 -2.8943 -2.8943 -2.6964 -2.6964 -2.4671 -2.4671 -2.3055 -2.3055 -2.1655 -2.1655 -2.1589 -2.1589 -2.0272 -2.0272 -1.9382 -1.9382 -1.8106 -1.8106 -1.7438 -1.7438 -1.5746 -1.5746 -0.8746 -0.8746 -0.7125 -0.7125 -0.6437 -0.6437 -0.5388 -0.5388 -0.5246 -0.5246 -0.4789 -0.4789 -0.1862 -0.1862 0.0070 0.0070 0.1311 0.1311 1.5428 1.5428 1.7803 1.7803 1.8971 1.8971 k = 0.4259 0.4170-0.0000 ( 12004 PWs) bands (ev): -13.4211 -13.4211 -13.3909 -13.3909 -13.3854 -13.3854 -13.3780 -13.3780 -13.2239 -13.2239 -13.2084 -13.2084 -3.0312 -3.0312 -2.8902 -2.8902 -2.6771 -2.6771 -2.4729 -2.4729 -2.3016 -2.3016 -2.1707 -2.1707 -2.1527 -2.1527 -2.0463 -2.0463 -1.9532 -1.9532 -1.8294 -1.8294 -1.7666 -1.7666 -1.5904 -1.5904 -0.8711 -0.8711 -0.6924 -0.6924 -0.6238 -0.6238 -0.5317 -0.5317 -0.5113 -0.5113 -0.4730 -0.4730 -0.1852 -0.1852 0.0034 0.0034 0.1222 0.1222 1.5579 1.5579 1.7738 1.7738 1.8901 1.8901 k = 0.4167 0.4330-0.0000 ( 12002 PWs) bands (ev): -13.4166 -13.4166 -13.3870 -13.3870 -13.3819 -13.3819 -13.3741 -13.3741 -13.2320 -13.2320 -13.2170 -13.2170 -3.0101 -3.0101 -2.8860 -2.8860 -2.6568 -2.6568 -2.4775 -2.4775 -2.2965 -2.2965 -2.1814 -2.1814 -2.1438 -2.1438 -2.0647 -2.0647 -1.9699 -1.9699 -1.8480 -1.8480 -1.7901 -1.7901 -1.6077 -1.6077 -0.8667 -0.8667 -0.6728 -0.6728 -0.6031 -0.6031 -0.5240 -0.5240 -0.4982 -0.4982 -0.4669 -0.4669 -0.1840 -0.1840 -0.0004 -0.0004 0.1123 0.1123 1.5743 1.5743 1.7674 1.7674 1.8831 1.8831 k = 0.4074 0.4491-0.0000 ( 11990 PWs) bands (ev): -13.4116 -13.4116 -13.3827 -13.3827 -13.3780 -13.3780 -13.3697 -13.3697 -13.2410 -13.2410 -13.2265 -13.2265 -2.9880 -2.9880 -2.8817 -2.8817 -2.6365 -2.6365 -2.4799 -2.4799 -2.2900 -2.2900 -2.1934 -2.1934 -2.1398 -2.1398 -2.0788 -2.0788 -1.9882 -1.9882 -1.8655 -1.8655 -1.8138 -1.8138 -1.6260 -1.6260 -0.8616 -0.8616 -0.6540 -0.6540 -0.5821 -0.5821 -0.5161 -0.5161 -0.4859 -0.4859 -0.4608 -0.4608 -0.1826 -0.1826 -0.0042 -0.0042 0.1015 0.1015 1.5914 1.5914 1.7611 1.7611 1.8761 1.8761 k = 0.3981 0.4651-0.0000 ( 11982 PWs) bands (ev): -13.4062 -13.4062 -13.3779 -13.3779 -13.3738 -13.3738 -13.3650 -13.3650 -13.2508 -13.2508 -13.2367 -13.2367 -2.9653 -2.9653 -2.8774 -2.8774 -2.6179 -2.6179 -2.4785 -2.4785 -2.2820 -2.2820 -2.2062 -2.2062 -2.1462 -2.1462 -2.0833 -2.0833 -2.0078 -2.0078 -1.8815 -1.8815 -1.8373 -1.8373 -1.6449 -1.6449 -0.8560 -0.8560 -0.6362 -0.6362 -0.5615 -0.5615 -0.5083 -0.5083 -0.4746 -0.4746 -0.4548 -0.4548 -0.1810 -0.1810 -0.0077 -0.0077 0.0898 0.0898 1.6090 1.6090 1.7550 1.7550 1.8691 1.8691 k = 0.3889 0.4811-0.0000 ( 11972 PWs) bands (ev): -13.4003 -13.4003 -13.3728 -13.3728 -13.3694 -13.3694 -13.3600 -13.3600 -13.2612 -13.2612 -13.2476 -13.2476 -2.9427 -2.9427 -2.8734 -2.8734 -2.6030 -2.6030 -2.4712 -2.4712 -2.2725 -2.2725 -2.2196 -2.2196 -2.1621 -2.1621 -2.0794 -2.0794 -2.0277 -2.0277 -1.8958 -1.8958 -1.8601 -1.8601 -1.6637 -1.6637 -0.8503 -0.8503 -0.6195 -0.6195 -0.5419 -0.5419 -0.5008 -0.5008 -0.4646 -0.4646 -0.4492 -0.4492 -0.1794 -0.1794 -0.0106 -0.0106 0.0775 0.0775 1.6265 1.6265 1.7493 1.7493 1.8623 1.8623 k = 0.3796 0.4972-0.0000 ( 11978 PWs) bands (ev): -13.3940 -13.3940 -13.3674 -13.3674 -13.3647 -13.3647 -13.3547 -13.3547 -13.2723 -13.2723 -13.2592 -13.2592 -2.9212 -2.9212 -2.8697 -2.8697 -2.5936 -2.5936 -2.4564 -2.4564 -2.2623 -2.2623 -2.2326 -2.2326 -2.1818 -2.1818 -2.0760 -2.0760 -2.0442 -2.0442 -1.9087 -1.9087 -1.8817 -1.8817 -1.6819 -1.6819 -0.8447 -0.8447 -0.6041 -0.6041 -0.5241 -0.5241 -0.4938 -0.4938 -0.4561 -0.4561 -0.4443 -0.4443 -0.1778 -0.1778 -0.0128 -0.0128 0.0649 0.0649 1.6436 1.6436 1.7440 1.7440 1.8558 1.8558 k = 0.3704 0.5132-0.0000 ( 11982 PWs) bands (ev): -13.3873 -13.3873 -13.3616 -13.3616 -13.3599 -13.3599 -13.3492 -13.3492 -13.2839 -13.2839 -13.2712 -13.2712 -2.9015 -2.9015 -2.8665 -2.8665 -2.5892 -2.5892 -2.4345 -2.4345 -2.2580 -2.2580 -2.2398 -2.2398 -2.2008 -2.2008 -2.0854 -2.0854 -2.0475 -2.0475 -1.9204 -1.9204 -1.9007 -1.9007 -1.6989 -1.6989 -0.8394 -0.8394 -0.5899 -0.5899 -0.5091 -0.5091 -0.4876 -0.4876 -0.4493 -0.4493 -0.4403 -0.4403 -0.1762 -0.1762 -0.0140 -0.0140 0.0524 0.0524 1.6595 1.6595 1.7394 1.7394 1.8496 1.8496 k = 0.3611 0.5292-0.0000 ( 11976 PWs) bands (ev): -13.3803 -13.3803 -13.3559 -13.3559 -13.3549 -13.3549 -13.3436 -13.3436 -13.2955 -13.2955 -13.2835 -13.2835 -2.8848 -2.8848 -2.8639 -2.8639 -2.5881 -2.5881 -2.4071 -2.4071 -2.2685 -2.2685 -2.2406 -2.2406 -2.2092 -2.2092 -2.1043 -2.1043 -2.0421 -2.0421 -1.9313 -1.9313 -1.9159 -1.9159 -1.7139 -1.7139 -0.8347 -0.8347 -0.5772 -0.5772 -0.4979 -0.4979 -0.4818 -0.4818 -0.4442 -0.4442 -0.4373 -0.4373 -0.1749 -0.1749 -0.0141 -0.0141 0.0407 0.0407 1.6735 1.6735 1.7355 1.7355 1.8440 1.8440 k = 0.3519 0.5453-0.0000 ( 11966 PWs) bands (ev): -13.3728 -13.3728 -13.3522 -13.3522 -13.3487 -13.3487 -13.3381 -13.3381 -13.3068 -13.3068 -13.2955 -13.2955 -2.8721 -2.8721 -2.8620 -2.8620 -2.5885 -2.5885 -2.3762 -2.3762 -2.2831 -2.2831 -2.2550 -2.2550 -2.1978 -2.1978 -2.1246 -2.1246 -2.0372 -2.0372 -1.9405 -1.9405 -1.9267 -1.9267 -1.7259 -1.7259 -0.8310 -0.8310 -0.5665 -0.5665 -0.4913 -0.4913 -0.4770 -0.4770 -0.4407 -0.4407 -0.4351 -0.4351 -0.1740 -0.1740 -0.0130 -0.0130 0.0305 0.0305 1.6845 1.6845 1.7329 1.7329 1.8393 1.8393 k = 0.3426 0.5613-0.0000 ( 11956 PWs) bands (ev): -13.3650 -13.3650 -13.3517 -13.3517 -13.3419 -13.3419 -13.3337 -13.3337 -13.3167 -13.3167 -13.3054 -13.3054 -2.8644 -2.8644 -2.8607 -2.8607 -2.5892 -2.5892 -2.3437 -2.3437 -2.2983 -2.2983 -2.2731 -2.2731 -2.1800 -2.1800 -2.1436 -2.1436 -2.0353 -2.0353 -1.9455 -1.9455 -1.9339 -1.9339 -1.7341 -1.7341 -0.8285 -0.8285 -0.5587 -0.5587 -0.4881 -0.4881 -0.4741 -0.4741 -0.4386 -0.4386 -0.4336 -0.4336 -0.1736 -0.1736 -0.0116 -0.0116 0.0232 0.0232 1.6912 1.6912 1.7318 1.7318 1.8361 1.8361 k = 0.3333 0.5774-0.0000 ( 11961 PWs) bands (ev): -13.3571 -13.3571 -13.3567 -13.3567 -13.3349 -13.3349 -13.3348 -13.3348 -13.3220 -13.3220 -13.3091 -13.3091 -2.8622 -2.8622 -2.8598 -2.8598 -2.5895 -2.5895 -2.3207 -2.3207 -2.3092 -2.3092 -2.2857 -2.2857 -2.1664 -2.1664 -2.1568 -2.1568 -2.0354 -2.0354 -1.9461 -1.9461 -1.9372 -1.9372 -1.7371 -1.7371 -0.8276 -0.8276 -0.5556 -0.5556 -0.4871 -0.4871 -0.4735 -0.4735 -0.4377 -0.4377 -0.4331 -0.4331 -0.1735 -0.1735 -0.0109 -0.0109 0.0205 0.0205 1.6933 1.6933 1.7318 1.7318 1.8349 1.8349 k = 0.3333 0.5774-0.0000 ( 11961 PWs) bands (ev): -13.3571 -13.3571 -13.3567 -13.3567 -13.3349 -13.3349 -13.3348 -13.3348 -13.3220 -13.3220 -13.3091 -13.3091 -2.8622 -2.8622 -2.8598 -2.8598 -2.5895 -2.5895 -2.3207 -2.3207 -2.3092 -2.3092 -2.2857 -2.2857 -2.1664 -2.1664 -2.1568 -2.1568 -2.0354 -2.0354 -1.9461 -1.9461 -1.9372 -1.9372 -1.7371 -1.7371 -0.8276 -0.8276 -0.5556 -0.5556 -0.4871 -0.4871 -0.4735 -0.4735 -0.4377 -0.4377 -0.4331 -0.4331 -0.1735 -0.1735 -0.0109 -0.0109 0.0205 0.0205 1.6933 1.6933 1.7318 1.7318 1.8349 1.8349 k = 0.3241 0.5613-0.0000 ( 11957 PWs) bands (ev): -13.3674 -13.3674 -13.3485 -13.3485 -13.3457 -13.3457 -13.3275 -13.3275 -13.3188 -13.3188 -13.3065 -13.3065 -2.8639 -2.8639 -2.8611 -2.8611 -2.5892 -2.5892 -2.3333 -2.3333 -2.3176 -2.3176 -2.2646 -2.2646 -2.1771 -2.1771 -2.1475 -2.1475 -2.0341 -2.0341 -1.9472 -1.9472 -1.9323 -1.9323 -1.7337 -1.7337 -0.8286 -0.8286 -0.5593 -0.5593 -0.4889 -0.4889 -0.4727 -0.4727 -0.4397 -0.4397 -0.4327 -0.4327 -0.1734 -0.1734 -0.0115 -0.0115 0.0232 0.0232 1.6917 1.6917 1.7312 1.7312 1.8362 1.8362 k = 0.3148 0.5453-0.0000 ( 11963 PWs) bands (ev): -13.3808 -13.3808 -13.3596 -13.3596 -13.3398 -13.3398 -13.3199 -13.3199 -13.3130 -13.3130 -13.3010 -13.3010 -2.8703 -2.8703 -2.8631 -2.8631 -2.5886 -2.5886 -2.3504 -2.3504 -2.3345 -2.3345 -2.2322 -2.2322 -2.1880 -2.1880 -2.1412 -2.1412 -2.0295 -2.0295 -1.9492 -1.9492 -1.9186 -1.9186 -1.7229 -1.7229 -0.8319 -0.8319 -0.5707 -0.5707 -0.4955 -0.4955 -0.4681 -0.4681 -0.4468 -0.4468 -0.4306 -0.4306 -0.1732 -0.1732 -0.0123 -0.0123 0.0301 0.0301 1.6873 1.6873 1.7287 1.7287 1.8399 1.8399 k = 0.3056 0.5292-0.0000 ( 11973 PWs) bands (ev): -13.3956 -13.3956 -13.3742 -13.3742 -13.3309 -13.3309 -13.3121 -13.3121 -13.3063 -13.3063 -13.2943 -13.2943 -2.8813 -2.8813 -2.8656 -2.8656 -2.5878 -2.5878 -2.3683 -2.3683 -2.3518 -2.3518 -2.2089 -2.2089 -2.1899 -2.1899 -2.1385 -2.1385 -2.0237 -2.0237 -1.9506 -1.9506 -1.8960 -1.8960 -1.7042 -1.7042 -0.8379 -0.8379 -0.5890 -0.5890 -0.5068 -0.5068 -0.4630 -0.4630 -0.4563 -0.4563 -0.4270 -0.4270 -0.1722 -0.1722 -0.0121 -0.0121 0.0400 0.0400 1.6807 1.6807 1.7240 1.7240 1.8456 1.8456 k = 0.2963 0.5132-0.0000 ( 11971 PWs) bands (ev): -13.4113 -13.4113 -13.3893 -13.3893 -13.3218 -13.3218 -13.3041 -13.3041 -13.2992 -13.2992 -13.2870 -13.2870 -2.8957 -2.8957 -2.8686 -2.8686 -2.5873 -2.5873 -2.3866 -2.3866 -2.3688 -2.3688 -2.2088 -2.2088 -2.1775 -2.1775 -2.1302 -2.1302 -2.0191 -2.0191 -1.9514 -1.9514 -1.8640 -1.8640 -1.6776 -1.6776 -0.8467 -0.8467 -0.6132 -0.6132 -0.5219 -0.5219 -0.4786 -0.4786 -0.4484 -0.4484 -0.4222 -0.4222 -0.1703 -0.1703 -0.0104 -0.0104 0.0516 0.0516 1.6720 1.6720 1.7175 1.7175 1.8527 1.8527 k = 0.2870 0.4972-0.0000 ( 11963 PWs) bands (ev): -13.4274 -13.4274 -13.4046 -13.4046 -13.3126 -13.3126 -13.2960 -13.2960 -13.2917 -13.2917 -13.2793 -13.2793 -2.9128 -2.9128 -2.8720 -2.8720 -2.5872 -2.5872 -2.4050 -2.4050 -2.3854 -2.3854 -2.2119 -2.2119 -2.1754 -2.1754 -2.1114 -2.1114 -2.0155 -2.0155 -1.9518 -1.9518 -1.8234 -1.8234 -1.6435 -1.6435 -0.8586 -0.8586 -0.6422 -0.6422 -0.5407 -0.5407 -0.5016 -0.5016 -0.4370 -0.4370 -0.4162 -0.4162 -0.1675 -0.1675 -0.0070 -0.0070 0.0647 0.0647 1.6610 1.6610 1.7097 1.7097 1.8604 1.8604 k = 0.2778 0.4811-0.0000 ( 11981 PWs) bands (ev): -13.4439 -13.4439 -13.4200 -13.4200 -13.3031 -13.3031 -13.2877 -13.2877 -13.2840 -13.2840 -13.2713 -13.2713 -2.9321 -2.9321 -2.8756 -2.8756 -2.5875 -2.5875 -2.4232 -2.4232 -2.4016 -2.4016 -2.2136 -2.2136 -2.1793 -2.1793 -2.0927 -2.0927 -2.0102 -2.0102 -1.9517 -1.9517 -1.7757 -1.7757 -1.6026 -1.6026 -0.8737 -0.8737 -0.6752 -0.6752 -0.5630 -0.5630 -0.5291 -0.5291 -0.4249 -0.4249 -0.4087 -0.4087 -0.1640 -0.1640 -0.0021 -0.0021 0.0788 0.0788 1.6475 1.6475 1.7012 1.7012 1.8683 1.8683 k = 0.2685 0.4651-0.0000 ( 11987 PWs) bands (ev): -13.4605 -13.4605 -13.4356 -13.4356 -13.2936 -13.2936 -13.2793 -13.2793 -13.2761 -13.2761 -13.2632 -13.2632 -2.9530 -2.9530 -2.8792 -2.8792 -2.5884 -2.5884 -2.4409 -2.4409 -2.4172 -2.4172 -2.2137 -2.2137 -2.1839 -2.1839 -2.0811 -2.0811 -2.0007 -2.0007 -1.9509 -1.9509 -1.7221 -1.7221 -1.5560 -1.5560 -0.8921 -0.8921 -0.7118 -0.7118 -0.5893 -0.5893 -0.5599 -0.5599 -0.4128 -0.4128 -0.3994 -0.3994 -0.1601 -0.1601 0.0045 0.0045 0.0937 0.0937 1.6316 1.6316 1.6920 1.6920 1.8762 1.8762 k = 0.2593 0.4491-0.0000 ( 11995 PWs) bands (ev): -13.4773 -13.4773 -13.4511 -13.4511 -13.2840 -13.2840 -13.2708 -13.2708 -13.2681 -13.2681 -13.2551 -13.2551 -2.9751 -2.9751 -2.8827 -2.8827 -2.5898 -2.5898 -2.4580 -2.4580 -2.4322 -2.4322 -2.2125 -2.2125 -2.1875 -2.1875 -2.0772 -2.0772 -1.9872 -1.9872 -1.9494 -1.9494 -1.6635 -1.6635 -1.5045 -1.5045 -0.9138 -0.9138 -0.7514 -0.7514 -0.6201 -0.6201 -0.5925 -0.5925 -0.4013 -0.4013 -0.3881 -0.3881 -0.1563 -0.1563 0.0126 0.0126 0.1092 0.1092 1.6135 1.6135 1.6820 1.6820 1.8838 1.8838 k = 0.2500 0.4330-0.0000 ( 11979 PWs) bands (ev): -13.4940 -13.4940 -13.4666 -13.4666 -13.2744 -13.2744 -13.2623 -13.2623 -13.2600 -13.2600 -13.2468 -13.2468 -2.9981 -2.9981 -2.8857 -2.8857 -2.5915 -2.5915 -2.4740 -2.4740 -2.4463 -2.4463 -2.2106 -2.2106 -2.1893 -2.1893 -2.0783 -2.0783 -1.9728 -1.9728 -1.9462 -1.9462 -1.6008 -1.6008 -1.4491 -1.4491 -0.9386 -0.9386 -0.7938 -0.7938 -0.6558 -0.6558 -0.6260 -0.6260 -0.3905 -0.3905 -0.3746 -0.3746 -0.1530 -0.1530 0.0224 0.0224 0.1253 0.1253 1.5933 1.5933 1.6708 1.6708 1.8911 1.8911 k = 0.2407 0.4170-0.0000 ( 12003 PWs) bands (ev): -13.5107 -13.5107 -13.4820 -13.4820 -13.2647 -13.2647 -13.2538 -13.2538 -13.2519 -13.2519 -13.2385 -13.2385 -3.0218 -3.0218 -2.8881 -2.8881 -2.5935 -2.5935 -2.4890 -2.4890 -2.4595 -2.4595 -2.2081 -2.2081 -2.1891 -2.1891 -2.0820 -2.0820 -1.9610 -1.9610 -1.9402 -1.9402 -1.5346 -1.5346 -1.3908 -1.3908 -0.9663 -0.9663 -0.8385 -0.8385 -0.6960 -0.6960 -0.6601 -0.6601 -0.3801 -0.3801 -0.3597 -0.3597 -0.1505 -0.1505 0.0340 0.0340 0.1419 0.1419 1.5714 1.5714 1.6582 1.6582 1.8980 1.8980 k = 0.2315 0.4009-0.0000 ( 12001 PWs) bands (ev): -13.5273 -13.5273 -13.4973 -13.4973 -13.2551 -13.2551 -13.2452 -13.2452 -13.2437 -13.2437 -13.2303 -13.2303 -3.0460 -3.0460 -2.8897 -2.8897 -2.5958 -2.5958 -2.5027 -2.5027 -2.4712 -2.4712 -2.2053 -2.2053 -2.1870 -2.1870 -2.0867 -2.0867 -1.9536 -1.9536 -1.9302 -1.9302 -1.4657 -1.4657 -1.3303 -1.3303 -0.9969 -0.9969 -0.8854 -0.8854 -0.7394 -0.7394 -0.6951 -0.6951 -0.3698 -0.3698 -0.3436 -0.3436 -0.1491 -0.1491 0.0474 0.0474 0.1590 0.1590 1.5481 1.5481 1.6439 1.6439 1.9044 1.9044 k = 0.2222 0.3849-0.0000 ( 12001 PWs) bands (ev): -13.5437 -13.5437 -13.5123 -13.5123 -13.2455 -13.2455 -13.2367 -13.2367 -13.2356 -13.2356 -13.2220 -13.2220 -3.0704 -3.0704 -2.8903 -2.8903 -2.5981 -2.5981 -2.5151 -2.5151 -2.4815 -2.4815 -2.2020 -2.2020 -2.1835 -2.1835 -2.0919 -2.0919 -1.9487 -1.9487 -1.9184 -1.9184 -1.3948 -1.3948 -1.2684 -1.2684 -1.0300 -1.0300 -0.9342 -0.9342 -0.7851 -0.7851 -0.7311 -0.7311 -0.3595 -0.3595 -0.3268 -0.3268 -0.1489 -0.1489 0.0626 0.0626 0.1764 0.1764 1.5235 1.5235 1.6274 1.6274 1.9103 1.9103 k = 0.2130 0.3689-0.0000 ( 12009 PWs) bands (ev): -13.5599 -13.5599 -13.5272 -13.5272 -13.2361 -13.2361 -13.2282 -13.2282 -13.2274 -13.2274 -13.2139 -13.2139 -3.0950 -3.0950 -2.8897 -2.8897 -2.6004 -2.6004 -2.5260 -2.5260 -2.4899 -2.4899 -2.1981 -2.1981 -2.1789 -2.1789 -2.0971 -2.0971 -1.9446 -1.9446 -1.9069 -1.9069 -1.3227 -1.3227 -1.2061 -1.2061 -1.0654 -1.0654 -0.9845 -0.9845 -0.8324 -0.8324 -0.7681 -0.7681 -0.3492 -0.3492 -0.3094 -0.3094 -0.1500 -0.1500 0.0798 0.0798 0.1943 0.1943 1.4980 1.4980 1.6087 1.6087 1.9158 1.9158 k = 0.2037 0.3528-0.0000 ( 12009 PWs) bands (ev): -13.5758 -13.5758 -13.5417 -13.5417 -13.2267 -13.2267 -13.2198 -13.2198 -13.2194 -13.2194 -13.2059 -13.2059 -3.1195 -3.1195 -2.8878 -2.8878 -2.6025 -2.6025 -2.5354 -2.5354 -2.4964 -2.4964 -2.1935 -2.1935 -2.1737 -2.1737 -2.1020 -2.1020 -1.9406 -1.9406 -1.8961 -1.8961 -1.2503 -1.2503 -1.1449 -1.1449 -1.1028 -1.1028 -1.0360 -1.0360 -0.8802 -0.8802 -0.8050 -0.8050 -0.3389 -0.3389 -0.2914 -0.2914 -0.1523 -0.1523 0.0988 0.0988 0.2125 0.2125 1.4716 1.4716 1.5875 1.5875 1.9207 1.9207 k = 0.1944 0.3368-0.0000 ( 12009 PWs) bands (ev): -13.5913 -13.5913 -13.5559 -13.5559 -13.2176 -13.2176 -13.2116 -13.2116 -13.2114 -13.2114 -13.1980 -13.1980 -3.1439 -3.1439 -2.8845 -2.8845 -2.6043 -2.6043 -2.5432 -2.5432 -2.5009 -2.5009 -2.1883 -2.1883 -2.1683 -2.1683 -2.1064 -2.1064 -1.9365 -1.9365 -1.8864 -1.8864 -1.1798 -1.1798 -1.1419 -1.1419 -1.0966 -1.0966 -1.0790 -1.0790 -0.9264 -0.9264 -0.8399 -0.8399 -0.3287 -0.3287 -0.2732 -0.2732 -0.1559 -0.1559 0.1195 0.1195 0.2312 0.2312 1.4446 1.4446 1.5638 1.5638 1.9252 1.9252 k = 0.1852 0.3208-0.0000 ( 12005 PWs) bands (ev): -13.6064 -13.6064 -13.5697 -13.5697 -13.2087 -13.2087 -13.2037 -13.2037 -13.2032 -13.2032 -13.1902 -13.1902 -3.1681 -3.1681 -2.8796 -2.8796 -2.6055 -2.6055 -2.5495 -2.5495 -2.5033 -2.5033 -2.1825 -2.1825 -2.1629 -2.1629 -2.1101 -2.1101 -1.9322 -1.9322 -1.8778 -1.8778 -1.1840 -1.1840 -1.1452 -1.1452 -1.1129 -1.1129 -1.0420 -1.0420 -0.9614 -0.9614 -0.8667 -0.8667 -0.3185 -0.3185 -0.2547 -0.2547 -0.1604 -0.1604 0.1419 0.1419 0.2502 0.2502 1.4171 1.4171 1.5376 1.5376 1.9291 1.9291 k = 0.1759 0.3047-0.0000 ( 12009 PWs) bands (ev): -13.6211 -13.6211 -13.5831 -13.5831 -13.2001 -13.2001 -13.1961 -13.1961 -13.1951 -13.1951 -13.1827 -13.1827 -3.1919 -3.1919 -2.8731 -2.8731 -2.6059 -2.6059 -2.5541 -2.5541 -2.5036 -2.5036 -2.1764 -2.1764 -2.1578 -2.1578 -2.1128 -2.1128 -1.9279 -1.9279 -1.8702 -1.8702 -1.2268 -1.2268 -1.1979 -1.1979 -1.0831 -1.0831 -1.0338 -1.0338 -0.9553 -0.9553 -0.8680 -0.8680 -0.3086 -0.3086 -0.2362 -0.2362 -0.1658 -0.1658 0.1658 0.1658 0.2697 0.2697 1.3892 1.3892 1.5091 1.5091 1.9325 1.9325 k = 0.1667 0.2887-0.0000 ( 11983 PWs) bands (ev): -13.6353 -13.6353 -13.5960 -13.5960 -13.1918 -13.1918 -13.1887 -13.1887 -13.1871 -13.1871 -13.1753 -13.1753 -3.2152 -3.2152 -2.8649 -2.8649 -2.6053 -2.6053 -2.5571 -2.5571 -2.5020 -2.5020 -2.1703 -2.1703 -2.1533 -2.1533 -2.1138 -2.1138 -1.9237 -1.9237 -1.8635 -1.8635 -1.2722 -1.2722 -1.2505 -1.2505 -1.1141 -1.1141 -1.0414 -1.0414 -0.9107 -0.9107 -0.8324 -0.8324 -0.2988 -0.2988 -0.2180 -0.2180 -0.1715 -0.1715 0.1911 0.1911 0.2895 0.2895 1.3609 1.3609 1.4784 1.4784 1.9354 1.9355 k = 0.1574 0.2726-0.0000 ( 11989 PWs) bands (ev): -13.6490 -13.6490 -13.6085 -13.6085 -13.1839 -13.1839 -13.1814 -13.1814 -13.1793 -13.1793 -13.1682 -13.1682 -3.2379 -3.2379 -2.8549 -2.8549 -2.6036 -2.6036 -2.5585 -2.5585 -2.4985 -2.4985 -2.1645 -2.1645 -2.1500 -2.1500 -2.1127 -2.1127 -1.9197 -1.9197 -1.8578 -1.8578 -1.3214 -1.3214 -1.3004 -1.3004 -1.1620 -1.1620 -1.0716 -1.0716 -0.8475 -0.8475 -0.7787 -0.7787 -0.2893 -0.2893 -0.2013 -0.2013 -0.1763 -0.1763 0.2177 0.2177 0.3098 0.3098 1.3324 1.3324 1.4458 1.4458 1.9379 1.9379 k = 0.1481 0.2566-0.0000 ( 11959 PWs) bands (ev): -13.6621 -13.6621 -13.6204 -13.6204 -13.1763 -13.1763 -13.1745 -13.1745 -13.1716 -13.1716 -13.1614 -13.1614 -3.2600 -3.2600 -2.8431 -2.8431 -2.6006 -2.6006 -2.5582 -2.5582 -2.4932 -2.4932 -2.1593 -2.1593 -2.1479 -2.1479 -2.1089 -2.1089 -1.9160 -1.9160 -1.8529 -1.8529 -1.3740 -1.3740 -1.3471 -1.3471 -1.2130 -1.2130 -1.1114 -1.1114 -0.7801 -0.7801 -0.7192 -0.7192 -0.2801 -0.2801 -0.1933 -0.1933 -0.1729 -0.1729 0.2453 0.2453 0.3305 0.3305 1.3037 1.3037 1.4116 1.4116 1.9399 1.9399 k = 0.1389 0.2406-0.0000 ( 11961 PWs) bands (ev): -13.6746 -13.6746 -13.6318 -13.6318 -13.1692 -13.1692 -13.1678 -13.1678 -13.1642 -13.1642 -13.1549 -13.1549 -3.2813 -3.2813 -2.8295 -2.8295 -2.5962 -2.5962 -2.5564 -2.5564 -2.4863 -2.4863 -2.1555 -2.1555 -2.1465 -2.1465 -2.1026 -2.1026 -1.9130 -1.9130 -1.8488 -1.8488 -1.4280 -1.4280 -1.3923 -1.3923 -1.2650 -1.2650 -1.1548 -1.1548 -0.7134 -0.7134 -0.6577 -0.6577 -0.2714 -0.2714 -0.1970 -0.1970 -0.1580 -0.1580 0.2739 0.2739 0.3517 0.3517 1.2747 1.2747 1.3761 1.3761 1.9415 1.9415 k = 0.1296 0.2245-0.0000 ( 11969 PWs) bands (ev): -13.6864 -13.6864 -13.6426 -13.6426 -13.1624 -13.1624 -13.1613 -13.1613 -13.1570 -13.1570 -13.1487 -13.1487 -3.3018 -3.3018 -2.8141 -2.8141 -2.5904 -2.5904 -2.5530 -2.5530 -2.4779 -2.4779 -2.1539 -2.1539 -2.1442 -2.1442 -2.0944 -2.0944 -1.9108 -1.9108 -1.8454 -1.8454 -1.4819 -1.4819 -1.4365 -1.4365 -1.3169 -1.3169 -1.1998 -1.1998 -0.6497 -0.6497 -0.5954 -0.5954 -0.2633 -0.2633 -0.2029 -0.2029 -0.1410 -0.1410 0.3033 0.3033 0.3733 0.3733 1.2456 1.2456 1.3394 1.3394 1.9427 1.9427 k = 0.1204 0.2085-0.0000 ( 11971 PWs) bands (ev): -13.6976 -13.6976 -13.6528 -13.6528 -13.1561 -13.1561 -13.1553 -13.1553 -13.1502 -13.1502 -13.1428 -13.1428 -3.3213 -3.3213 -2.7968 -2.7968 -2.5832 -2.5832 -2.5481 -2.5481 -2.4681 -2.4681 -2.1542 -2.1542 -2.1411 -2.1411 -2.0849 -2.0849 -1.9100 -1.9100 -1.8426 -1.8426 -1.5347 -1.5347 -1.4799 -1.4799 -1.3685 -1.3685 -1.2453 -1.2453 -0.5899 -0.5899 -0.5328 -0.5328 -0.2563 -0.2563 -0.2084 -0.2084 -0.1240 -0.1240 0.3333 0.3333 0.3954 0.3954 1.2164 1.2164 1.3021 1.3021 1.9436 1.9436 k = 0.1111 0.1925-0.0000 ( 11973 PWs) bands (ev): -13.7080 -13.7080 -13.6623 -13.6623 -13.1502 -13.1502 -13.1495 -13.1495 -13.1437 -13.1437 -13.1373 -13.1373 -3.3397 -3.3397 -2.7777 -2.7777 -2.5747 -2.5747 -2.5418 -2.5418 -2.4571 -2.4571 -2.1553 -2.1553 -2.1378 -2.1378 -2.0745 -2.0745 -1.9110 -1.9110 -1.8403 -1.8403 -1.5855 -1.5855 -1.5224 -1.5224 -1.4193 -1.4193 -1.2908 -1.2908 -0.5344 -0.5344 -0.4712 -0.4712 -0.2510 -0.2510 -0.2121 -0.2121 -0.1073 -0.1073 0.3638 0.3638 0.4179 0.4179 1.1870 1.1870 1.2643 1.2643 1.9442 1.9442 k = 0.1019 0.1764-0.0000 ( 11981 PWs) bands (ev): -13.7178 -13.7178 -13.6712 -13.6712 -13.1446 -13.1446 -13.1441 -13.1441 -13.1377 -13.1377 -13.1321 -13.1321 -3.3569 -3.3569 -2.7569 -2.7569 -2.5650 -2.5650 -2.5341 -2.5341 -2.4451 -2.4451 -2.1565 -2.1565 -2.1347 -2.1347 -2.0636 -2.0636 -1.9148 -1.9148 -1.8383 -1.8383 -1.6333 -1.6333 -1.5637 -1.5637 -1.4690 -1.4690 -1.3360 -1.3360 -0.4833 -0.4833 -0.4118 -0.4118 -0.2479 -0.2479 -0.2129 -0.2129 -0.0911 -0.0911 0.3944 0.3944 0.4410 0.4410 1.1574 1.1574 1.2264 1.2264 1.9445 1.9445 k = 0.0926 0.1604-0.0000 ( 11969 PWs) bands (ev): -13.7267 -13.7267 -13.6793 -13.6793 -13.1395 -13.1395 -13.1391 -13.1391 -13.1321 -13.1321 -13.1274 -13.1274 -3.3730 -3.3730 -2.7345 -2.7345 -2.5543 -2.5543 -2.5252 -2.5252 -2.4322 -2.4322 -2.1578 -2.1578 -2.1319 -2.1319 -2.0524 -2.0524 -1.9225 -1.9225 -1.8365 -1.8365 -1.6765 -1.6765 -1.6036 -1.6036 -1.5174 -1.5174 -1.3803 -1.3803 -0.4365 -0.4365 -0.3567 -0.3567 -0.2461 -0.2461 -0.2104 -0.2104 -0.0756 -0.0756 0.4251 0.4251 0.4646 0.4646 1.1277 1.1277 1.1887 1.1887 1.9446 1.9446 k = 0.0833 0.1443-0.0000 ( 11975 PWs) bands (ev): -13.7349 -13.7349 -13.6868 -13.6868 -13.1349 -13.1349 -13.1346 -13.1346 -13.1269 -13.1269 -13.1230 -13.1230 -3.3877 -3.3877 -2.7105 -2.7105 -2.5428 -2.5428 -2.5152 -2.5152 -2.4188 -2.4188 -2.1590 -2.1590 -2.1296 -2.1296 -2.0410 -2.0410 -1.9355 -1.9355 -1.8346 -1.8346 -1.7136 -1.7136 -1.6416 -1.6416 -1.5641 -1.5641 -1.4234 -1.4234 -0.3946 -0.3946 -0.3102 -0.3102 -0.2411 -0.2411 -0.2055 -0.2055 -0.0607 -0.0607 0.4555 0.4555 0.4888 0.4888 1.0978 1.0978 1.1515 1.1515 1.9444 1.9444 k = 0.0741 0.1283-0.0000 ( 11975 PWs) bands (ev): -13.7423 -13.7423 -13.6935 -13.6935 -13.1307 -13.1307 -13.1304 -13.1304 -13.1222 -13.1222 -13.1191 -13.1191 -3.4011 -3.4011 -2.6853 -2.6853 -2.5309 -2.5309 -2.5042 -2.5042 -2.4050 -2.4050 -2.1600 -2.1600 -2.1276 -2.1276 -2.0299 -2.0299 -1.9548 -1.9548 -1.8325 -1.8325 -1.7430 -1.7430 -1.6774 -1.6774 -1.6088 -1.6088 -1.4651 -1.4651 -0.3583 -0.3583 -0.2821 -0.2821 -0.2227 -0.2227 -0.1984 -0.1984 -0.0464 -0.0464 0.4852 0.4852 0.5137 0.5137 1.0677 1.0677 1.1154 1.1154 1.9440 1.9440 k = 0.0648 0.1123-0.0000 ( 11979 PWs) bands (ev): -13.7489 -13.7489 -13.6994 -13.6994 -13.1269 -13.1269 -13.1267 -13.1267 -13.1181 -13.1181 -13.1156 -13.1156 -3.4131 -3.4131 -2.6591 -2.6591 -2.5190 -2.5190 -2.4926 -2.4926 -2.3913 -2.3913 -2.1611 -2.1611 -2.1260 -2.1260 -2.0199 -2.0199 -1.9793 -1.9793 -1.8299 -1.8299 -1.7646 -1.7646 -1.7104 -1.7104 -1.6512 -1.6512 -1.5050 -1.5050 -0.3295 -0.3295 -0.2708 -0.2708 -0.1997 -0.1997 -0.1810 -0.1810 -0.0326 -0.0326 0.5137 0.5137 0.5393 0.5393 1.0374 1.0374 1.0809 1.0809 1.9434 1.9434 k = 0.0556 0.0962-0.0000 ( 11987 PWs) bands (ev): -13.7546 -13.7546 -13.7046 -13.7046 -13.1237 -13.1237 -13.1234 -13.1234 -13.1144 -13.1144 -13.1125 -13.1125 -3.4235 -3.4235 -2.6323 -2.6323 -2.5074 -2.5074 -2.4807 -2.4807 -2.3779 -2.3779 -2.1621 -2.1621 -2.1248 -2.1248 -2.0213 -2.0213 -1.9972 -1.9972 -1.8266 -1.8266 -1.7799 -1.7799 -1.7399 -1.7399 -1.6907 -1.6907 -1.5426 -1.5426 -0.3116 -0.3116 -0.2602 -0.2602 -0.1903 -0.1903 -0.1487 -0.1487 -0.0190 -0.0190 0.5407 0.5407 0.5657 0.5657 1.0069 1.0069 1.0484 1.0484 1.9426 1.9426 k = 0.0463 0.0802-0.0000 ( 11983 PWs) bands (ev): -13.7594 -13.7594 -13.7091 -13.7091 -13.1209 -13.1209 -13.1206 -13.1206 -13.1113 -13.1113 -13.1099 -13.1099 -3.4325 -3.4325 -2.6056 -2.6056 -2.4967 -2.4967 -2.4689 -2.4689 -2.3652 -2.3652 -2.1635 -2.1635 -2.1241 -2.1241 -2.0486 -2.0486 -1.9910 -1.9910 -1.8222 -1.8222 -1.7921 -1.7921 -1.7645 -1.7645 -1.7267 -1.7267 -1.5775 -1.5775 -0.3045 -0.3045 -0.2456 -0.2456 -0.1830 -0.1830 -0.1187 -0.1187 -0.0057 -0.0057 0.5657 0.5657 0.5925 0.5925 0.9765 0.9765 1.0186 1.0186 1.9417 1.9417 k = 0.0370 0.0642-0.0000 ( 11977 PWs) bands (ev): -13.7634 -13.7634 -13.7127 -13.7127 -13.1186 -13.1186 -13.1183 -13.1183 -13.1088 -13.1088 -13.1077 -13.1077 -3.4398 -3.4398 -2.5798 -2.5798 -2.4871 -2.4871 -2.4578 -2.4578 -2.3538 -2.3538 -2.1655 -2.1655 -2.1242 -2.1242 -2.0791 -2.0791 -1.9803 -1.9803 -1.8175 -1.8175 -1.8050 -1.8050 -1.7820 -1.7820 -1.7573 -1.7573 -1.6092 -1.6092 -0.3030 -0.3030 -0.2311 -0.2311 -0.1758 -0.1758 -0.0946 -0.0946 0.0072 0.0072 0.5883 0.5883 0.6189 0.6189 0.9469 0.9469 0.9921 0.9921 1.9408 1.9408 k = 0.0278 0.0481-0.0000 ( 11985 PWs) bands (ev): -13.7665 -13.7665 -13.7155 -13.7155 -13.1168 -13.1168 -13.1165 -13.1165 -13.1069 -13.1069 -13.1060 -13.1060 -3.4456 -3.4456 -2.5563 -2.5563 -2.4791 -2.4791 -2.4481 -2.4481 -2.3440 -2.3440 -2.1688 -2.1688 -2.1264 -2.1264 -2.1044 -2.1044 -1.9690 -1.9690 -1.8219 -1.8219 -1.8130 -1.8130 -1.7943 -1.7943 -1.7773 -1.7773 -1.6370 -1.6370 -0.3035 -0.3035 -0.2197 -0.2197 -0.1688 -0.1688 -0.0768 -0.0768 0.0190 0.0190 0.6078 0.6078 0.6438 0.6438 0.9192 0.9192 0.9696 0.9696 1.9399 1.9399 k = 0.0185 0.0321-0.0000 ( 11965 PWs) bands (ev): -13.7688 -13.7688 -13.7176 -13.7176 -13.1155 -13.1155 -13.1153 -13.1153 -13.1055 -13.1055 -13.1047 -13.1047 -3.4497 -3.4497 -2.5369 -2.5369 -2.4730 -2.4730 -2.4403 -2.4403 -2.3364 -2.3364 -2.1744 -2.1744 -2.1347 -2.1347 -2.1161 -2.1161 -1.9580 -1.9580 -1.8361 -1.8361 -1.8222 -1.8222 -1.7961 -1.7961 -1.7848 -1.7848 -1.6596 -1.6596 -0.3043 -0.3043 -0.2120 -0.2120 -0.1628 -0.1628 -0.0650 -0.0650 0.0287 0.0287 0.6233 0.6233 0.6655 0.6655 0.8955 0.8955 0.9520 0.9520 1.9392 1.9392 k = 0.0093 0.0160-0.0000 ( 11981 PWs) bands (ev): -13.7701 -13.7701 -13.7188 -13.7188 -13.1147 -13.1147 -13.1145 -13.1145 -13.1047 -13.1047 -13.1039 -13.1039 -3.4522 -3.4522 -2.5238 -2.5238 -2.4692 -2.4692 -2.4353 -2.4353 -2.3314 -2.3314 -2.1812 -2.1812 -2.1429 -2.1429 -2.1185 -2.1185 -1.9491 -1.9491 -1.8482 -1.8482 -1.8324 -1.8324 -1.7925 -1.7925 -1.7864 -1.7864 -1.6751 -1.6751 -0.3050 -0.3050 -0.2078 -0.2078 -0.1586 -0.1586 -0.0583 -0.0583 0.0351 0.0351 0.6334 0.6334 0.6811 0.6811 0.8786 0.8786 0.9407 0.9407 1.9387 1.9387 k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -13.7706 -13.7706 -13.7192 -13.7192 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4531 -3.4531 -2.5192 -2.5192 -2.4680 -2.4680 -2.4336 -2.4336 -2.3297 -2.3297 -2.1844 -2.1844 -2.1455 -2.1455 -2.1189 -2.1189 -1.9454 -1.9454 -1.8533 -1.8533 -1.8359 -1.8359 -1.7916 -1.7916 -1.7859 -1.7859 -1.6807 -1.6807 -0.3052 -0.3052 -0.2065 -0.2065 -0.1572 -0.1572 -0.0562 -0.0562 0.0373 0.0373 0.6369 0.6369 0.6869 0.6869 0.8723 0.8723 0.9368 0.9368 1.9386 1.9386 k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -13.7706 -13.7706 -13.7192 -13.7192 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4531 -3.4531 -2.5192 -2.5192 -2.4680 -2.4680 -2.4336 -2.4336 -2.3297 -2.3297 -2.1844 -2.1844 -2.1455 -2.1455 -2.1189 -2.1189 -1.9454 -1.9454 -1.8533 -1.8533 -1.8359 -1.8359 -1.7916 -1.7916 -1.7859 -1.7859 -1.6807 -1.6807 -0.3052 -0.3052 -0.2065 -0.2065 -0.1572 -0.1572 -0.0562 -0.0562 0.0373 0.0373 0.6369 0.6369 0.6869 0.6869 0.8723 0.8723 0.9368 0.9368 1.9386 1.9386 k = 0.0000 0.0000 0.0181 ( 11969 PWs) bands (ev): -13.7705 -13.7705 -13.7192 -13.7192 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4527 -3.4527 -2.5192 -2.5192 -2.4678 -2.4678 -2.4335 -2.4335 -2.3304 -2.3304 -2.1845 -2.1845 -2.1456 -2.1456 -2.1190 -2.1190 -1.9454 -1.9454 -1.8535 -1.8535 -1.8361 -1.8361 -1.7914 -1.7914 -1.7856 -1.7856 -1.6810 -1.6810 -0.3047 -0.3047 -0.2064 -0.2064 -0.1572 -0.1572 -0.0562 -0.0562 0.0373 0.0373 0.6369 0.6369 0.6869 0.6869 0.8722 0.8722 0.9368 0.9368 1.9387 1.9387 k = 0.0000 0.0000 0.0363 ( 11987 PWs) bands (ev): -13.7704 -13.7704 -13.7193 -13.7193 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4515 -3.4515 -2.5190 -2.5190 -2.4674 -2.4674 -2.4331 -2.4331 -2.3325 -2.3325 -2.1848 -2.1848 -2.1460 -2.1460 -2.1192 -2.1192 -1.9451 -1.9451 -1.8542 -1.8542 -1.8368 -1.8368 -1.7908 -1.7908 -1.7850 -1.7850 -1.6819 -1.6819 -0.3034 -0.3034 -0.2062 -0.2062 -0.1571 -0.1571 -0.0562 -0.0562 0.0373 0.0373 0.6368 0.6368 0.6868 0.6868 0.8721 0.8721 0.9366 0.9366 1.9391 1.9392 k = 0.0000 0.0000 0.0544 ( 11993 PWs) bands (ev): -13.7702 -13.7702 -13.7195 -13.7195 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4495 -3.4495 -2.5186 -2.5186 -2.4668 -2.4668 -2.4325 -2.4325 -2.3360 -2.3360 -2.1854 -2.1854 -2.1467 -2.1467 -2.1196 -2.1196 -1.9447 -1.9447 -1.8552 -1.8552 -1.8379 -1.8379 -1.7900 -1.7900 -1.7840 -1.7840 -1.6834 -1.6834 -0.3012 -0.3012 -0.2059 -0.2059 -0.1571 -0.1571 -0.0563 -0.0563 0.0372 0.0372 0.6367 0.6367 0.6866 0.6866 0.8718 0.8718 0.9364 0.9364 1.9399 1.9399 k = 0.0000 0.0000 0.0725 ( 11987 PWs) bands (ev): -13.7700 -13.7700 -13.7198 -13.7198 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4469 -3.4469 -2.5182 -2.5182 -2.4660 -2.4660 -2.4316 -2.4316 -2.3407 -2.3407 -2.1862 -2.1862 -2.1476 -2.1476 -2.1202 -2.1202 -1.9441 -1.9441 -1.8565 -1.8565 -1.8394 -1.8394 -1.7888 -1.7888 -1.7826 -1.7826 -1.6853 -1.6853 -0.2983 -0.2983 -0.2054 -0.2054 -0.1570 -0.1570 -0.0564 -0.0564 0.0371 0.0371 0.6365 0.6365 0.6863 0.6863 0.8715 0.8715 0.9361 0.9361 1.9408 1.9408 k = 0.0000 0.0000 0.0907 ( 11987 PWs) bands (ev): -13.7697 -13.7697 -13.7201 -13.7201 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4436 -3.4436 -2.5176 -2.5176 -2.4649 -2.4649 -2.4306 -2.4306 -2.3464 -2.3464 -2.1872 -2.1872 -2.1487 -2.1487 -2.1209 -2.1209 -1.9434 -1.9434 -1.8581 -1.8581 -1.8411 -1.8411 -1.7874 -1.7874 -1.7811 -1.7811 -1.6877 -1.6877 -0.2948 -0.2948 -0.2048 -0.2048 -0.1569 -0.1569 -0.0565 -0.0565 0.0370 0.0370 0.6362 0.6362 0.6860 0.6860 0.8711 0.8711 0.9357 0.9357 1.9420 1.9420 k = 0.0000 0.0000 0.1088 ( 12023 PWs) bands (ev): -13.7693 -13.7693 -13.7204 -13.7204 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4397 -3.4397 -2.5170 -2.5170 -2.4637 -2.4637 -2.4293 -2.4293 -2.3531 -2.3531 -2.1884 -2.1884 -2.1500 -2.1500 -2.1216 -2.1216 -1.9426 -1.9426 -1.8599 -1.8599 -1.8430 -1.8430 -1.7859 -1.7859 -1.7794 -1.7794 -1.6904 -1.6904 -0.2909 -0.2909 -0.2040 -0.2040 -0.1568 -0.1568 -0.0566 -0.0566 0.0369 0.0369 0.6359 0.6359 0.6857 0.6857 0.8706 0.8706 0.9353 0.9353 1.9433 1.9433 k = 0.0000 0.0000 0.1269 ( 11999 PWs) bands (ev): -13.7690 -13.7690 -13.7208 -13.7208 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4355 -3.4355 -2.5163 -2.5163 -2.4623 -2.4623 -2.4280 -2.4280 -2.3604 -2.3604 -2.1896 -2.1896 -2.1514 -2.1514 -2.1225 -2.1225 -1.9417 -1.9417 -1.8617 -1.8617 -1.8449 -1.8449 -1.7844 -1.7844 -1.7776 -1.7776 -1.6933 -1.6933 -0.2866 -0.2866 -0.2031 -0.2031 -0.1567 -0.1567 -0.0567 -0.0567 0.0368 0.0368 0.6356 0.6356 0.6853 0.6853 0.8701 0.8701 0.9348 0.9348 1.9448 1.9448 k = 0.0000 0.0000 0.1451 ( 11999 PWs) bands (ev): -13.7685 -13.7685 -13.7213 -13.7213 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4310 -3.4310 -2.5156 -2.5156 -2.4609 -2.4609 -2.4266 -2.4266 -2.3682 -2.3682 -2.1910 -2.1910 -2.1530 -2.1530 -2.1234 -2.1234 -1.9407 -1.9407 -1.8636 -1.8636 -1.8469 -1.8469 -1.7828 -1.7828 -1.7759 -1.7759 -1.6964 -1.6964 -0.2823 -0.2823 -0.2021 -0.2021 -0.1566 -0.1566 -0.0569 -0.0569 0.0366 0.0366 0.6353 0.6353 0.6849 0.6849 0.8695 0.8695 0.9343 0.9343 1.9464 1.9464 k = 0.0000 0.0000 0.1632 ( 11999 PWs) bands (ev): -13.7681 -13.7681 -13.7217 -13.7217 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4263 -3.4263 -2.5149 -2.5149 -2.4594 -2.4594 -2.4251 -2.4251 -2.3762 -2.3762 -2.1924 -2.1924 -2.1545 -2.1545 -2.1244 -2.1244 -1.9397 -1.9397 -1.8655 -1.8655 -1.8488 -1.8488 -1.7813 -1.7813 -1.7742 -1.7742 -1.6995 -1.6995 -0.2780 -0.2780 -0.2010 -0.2010 -0.1564 -0.1564 -0.0570 -0.0570 0.0365 0.0365 0.6350 0.6350 0.6845 0.6845 0.8690 0.8690 0.9338 0.9338 1.9480 1.9480 k = 0.0000 0.0000 0.1813 ( 12011 PWs) bands (ev): -13.7677 -13.7677 -13.7222 -13.7222 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4216 -3.4216 -2.5142 -2.5142 -2.4579 -2.4579 -2.4237 -2.4237 -2.3841 -2.3841 -2.1938 -2.1938 -2.1561 -2.1561 -2.1253 -2.1253 -1.9387 -1.9387 -1.8672 -1.8672 -1.8506 -1.8506 -1.7798 -1.7798 -1.7726 -1.7726 -1.7025 -1.7025 -0.2739 -0.2739 -0.1999 -0.1999 -0.1563 -0.1563 -0.0572 -0.0572 0.0364 0.0364 0.6346 0.6346 0.6841 0.6841 0.8684 0.8684 0.9333 0.9333 1.9496 1.9496 k = 0.0000 0.0000 0.1995 ( 12011 PWs) bands (ev): -13.7672 -13.7672 -13.7226 -13.7226 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4172 -3.4172 -2.5135 -2.5135 -2.4565 -2.4565 -2.4224 -2.4224 -2.3915 -2.3915 -2.1951 -2.1951 -2.1576 -2.1576 -2.1262 -2.1262 -1.9377 -1.9377 -1.8688 -1.8688 -1.8523 -1.8523 -1.7785 -1.7785 -1.7711 -1.7711 -1.7053 -1.7053 -0.2702 -0.2702 -0.1987 -0.1987 -0.1562 -0.1562 -0.0573 -0.0573 0.0362 0.0362 0.6343 0.6343 0.6838 0.6838 0.8679 0.8679 0.9329 0.9329 1.9511 1.9511 k = 0.0000 0.0000 0.2176 ( 12011 PWs) bands (ev): -13.7669 -13.7669 -13.7230 -13.7230 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4130 -3.4130 -2.5130 -2.5130 -2.4552 -2.4552 -2.4214 -2.4214 -2.3982 -2.3982 -2.1964 -2.1964 -2.1590 -2.1590 -2.1270 -2.1270 -1.9368 -1.9368 -1.8703 -1.8703 -1.8537 -1.8537 -1.7773 -1.7773 -1.7698 -1.7698 -1.7079 -1.7079 -0.2669 -0.2669 -0.1975 -0.1975 -0.1561 -0.1561 -0.0575 -0.0575 0.0361 0.0361 0.6341 0.6341 0.6835 0.6835 0.8674 0.8674 0.9324 0.9324 1.9524 1.9524 k = 0.0000 0.0000 0.2357 ( 12011 PWs) bands (ev): -13.7665 -13.7665 -13.7234 -13.7234 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4094 -3.4094 -2.5124 -2.5124 -2.4541 -2.4541 -2.4206 -2.4206 -2.4039 -2.4039 -2.1974 -2.1974 -2.1602 -2.1602 -2.1277 -2.1277 -1.9360 -1.9360 -1.8715 -1.8715 -1.8550 -1.8550 -1.7763 -1.7763 -1.7687 -1.7687 -1.7101 -1.7101 -0.2641 -0.2641 -0.1964 -0.1964 -0.1560 -0.1560 -0.0576 -0.0576 0.0360 0.0360 0.6338 0.6338 0.6832 0.6832 0.8670 0.8670 0.9321 0.9321 1.9536 1.9536 k = 0.0000 0.0000 0.2539 ( 12011 PWs) bands (ev): -13.7662 -13.7662 -13.7237 -13.7237 -13.1145 -13.1145 -13.1142 -13.1142 -13.1045 -13.1045 -13.1036 -13.1036 -3.4064 -3.4064 -2.5120 -2.5120 -2.4531 -2.4531 -2.4203 -2.4203 -2.4082 -2.4082 -2.1983 -2.1983 -2.1613 -2.1613 -2.1283 -2.1283 -1.9353 -1.9353 -1.8724 -1.8724 -1.8560 -1.8560 -1.7755 -1.7755 -1.7678 -1.7678 -1.7119 -1.7119 -0.2619 -0.2619 -0.1954 -0.1954 -0.1559 -0.1559 -0.0577 -0.0577 0.0359 0.0359 0.6336 0.6336 0.6829 0.6829 0.8666 0.8666 0.9318 0.9318 1.9546 1.9546 k = 0.0000 0.0000 0.2720 ( 12000 PWs) bands (ev): -13.7660 -13.7660 -13.7239 -13.7239 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4042 -3.4042 -2.5117 -2.5117 -2.4524 -2.4524 -2.4207 -2.4207 -2.4108 -2.4108 -2.1990 -2.1990 -2.1620 -2.1620 -2.1287 -2.1287 -1.9348 -1.9348 -1.8731 -1.8731 -1.8567 -1.8567 -1.7750 -1.7750 -1.7672 -1.7672 -1.7133 -1.7133 -0.2604 -0.2604 -0.1947 -0.1947 -0.1559 -0.1559 -0.0577 -0.0577 0.0359 0.0359 0.6335 0.6335 0.6828 0.6828 0.8664 0.8664 0.9315 0.9315 1.9553 1.9553 k = 0.0000 0.0000 0.2901 ( 11988 PWs) bands (ev): -13.7659 -13.7659 -13.7240 -13.7240 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4028 -3.4028 -2.5116 -2.5116 -2.4520 -2.4520 -2.4213 -2.4213 -2.4121 -2.4121 -2.1994 -2.1994 -2.1625 -2.1625 -2.1290 -2.1290 -1.9345 -1.9345 -1.8736 -1.8736 -1.8572 -1.8572 -1.7746 -1.7746 -1.7668 -1.7668 -1.7141 -1.7141 -0.2594 -0.2594 -0.1942 -0.1942 -0.1558 -0.1558 -0.0578 -0.0578 0.0358 0.0358 0.6334 0.6334 0.6827 0.6827 0.8662 0.8662 0.9314 0.9314 1.9558 1.9558 k = 0.0000 0.0000 0.3083 ( 11970 PWs) bands (ev): -13.7658 -13.7658 -13.7241 -13.7241 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4023 -3.4023 -2.5115 -2.5115 -2.4519 -2.4519 -2.4216 -2.4216 -2.4124 -2.4124 -2.1995 -2.1995 -2.1626 -2.1626 -2.1291 -2.1291 -1.9344 -1.9344 -1.8737 -1.8737 -1.8573 -1.8573 -1.7745 -1.7745 -1.7666 -1.7666 -1.7143 -1.7143 -0.2591 -0.2591 -0.1941 -0.1941 -0.1558 -0.1558 -0.0578 -0.0578 0.0358 0.0358 0.6333 0.6334 0.6826 0.6826 0.8662 0.8662 0.9314 0.9314 1.9559 1.9559 k = 0.0000 0.0000 0.3083 ( 11970 PWs) bands (ev): -13.7658 -13.7658 -13.7241 -13.7241 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4023 -3.4023 -2.5115 -2.5115 -2.4519 -2.4519 -2.4216 -2.4216 -2.4124 -2.4124 -2.1995 -2.1995 -2.1626 -2.1626 -2.1291 -2.1291 -1.9344 -1.9344 -1.8737 -1.8737 -1.8573 -1.8573 -1.7745 -1.7745 -1.7666 -1.7666 -1.7143 -1.7143 -0.2591 -0.2591 -0.1941 -0.1941 -0.1558 -0.1558 -0.0578 -0.0578 0.0358 0.0358 0.6333 0.6333 0.6826 0.6826 0.8662 0.8662 0.9314 0.9314 1.9559 1.9559 k = 0.0161 0.0093 0.3083 ( 11984 PWs) bands (ev): -13.7654 -13.7654 -13.7237 -13.7237 -13.1148 -13.1148 -13.1145 -13.1145 -13.1047 -13.1047 -13.1039 -13.1039 -3.4015 -3.4015 -2.5165 -2.5165 -2.4532 -2.4532 -2.4232 -2.4232 -2.4136 -2.4136 -2.1969 -2.1969 -2.1599 -2.1599 -2.1288 -2.1288 -1.9408 -1.9408 -1.8670 -1.8670 -1.8522 -1.8522 -1.7770 -1.7770 -1.7682 -1.7682 -1.7060 -1.7060 -0.2594 -0.2594 -0.1951 -0.1951 -0.1573 -0.1573 -0.0599 -0.0599 0.0337 0.0337 0.6297 0.6297 0.6766 0.6766 0.8727 0.8727 0.9354 0.9354 1.9560 1.9560 k = 0.0323 0.0186 0.3083 ( 11998 PWs) bands (ev): -13.7640 -13.7640 -13.7224 -13.7224 -13.1156 -13.1156 -13.1153 -13.1153 -13.1055 -13.1055 -13.1047 -13.1047 -3.3991 -3.3991 -2.5304 -2.5304 -2.4573 -2.4573 -2.4279 -2.4279 -2.4170 -2.4170 -2.1928 -2.1928 -2.1502 -2.1502 -2.1273 -2.1273 -1.9540 -1.9540 -1.8545 -1.8545 -1.8356 -1.8356 -1.7848 -1.7848 -1.7673 -1.7673 -1.6860 -1.6860 -0.2605 -0.2605 -0.1984 -0.1984 -0.1614 -0.1614 -0.0662 -0.0662 0.0275 0.0275 0.6194 0.6194 0.6607 0.6607 0.8900 0.8900 0.9470 0.9470 1.9563 1.9563 k = 0.0484 0.0279 0.3083 ( 11994 PWs) bands (ev): -13.7618 -13.7618 -13.7203 -13.7203 -13.1169 -13.1169 -13.1166 -13.1166 -13.1069 -13.1069 -13.1059 -13.1059 -3.3951 -3.3951 -2.5510 -2.5510 -2.4639 -2.4639 -2.4357 -2.4357 -2.4216 -2.4216 -2.1919 -2.1919 -2.1381 -2.1381 -2.1179 -2.1179 -1.9683 -1.9683 -1.8407 -1.8407 -1.8115 -1.8115 -1.7916 -1.7916 -1.7626 -1.7626 -1.6599 -1.6599 -0.2631 -0.2631 -0.2043 -0.2043 -0.1674 -0.1674 -0.0772 -0.0772 0.0181 0.0181 0.6036 0.6036 0.6385 0.6385 0.9144 0.9144 0.9650 0.9650 1.9567 1.9568 k = 0.0645 0.0372 0.3083 ( 12000 PWs) bands (ev): -13.7586 -13.7586 -13.7175 -13.7175 -13.1188 -13.1188 -13.1184 -13.1184 -13.1088 -13.1088 -13.1076 -13.1076 -3.3894 -3.3894 -2.5759 -2.5759 -2.4725 -2.4725 -2.4461 -2.4461 -2.4270 -2.4270 -2.1939 -2.1939 -2.1350 -2.1350 -2.0930 -2.0930 -1.9811 -1.9811 -1.8281 -1.8281 -1.7934 -1.7934 -1.7860 -1.7860 -1.7509 -1.7509 -1.6295 -1.6295 -0.2686 -0.2686 -0.2127 -0.2127 -0.1739 -0.1739 -0.0933 -0.0933 0.0064 0.0064 0.5838 0.5838 0.6131 0.6131 0.9428 0.9428 0.9880 0.9880 1.9573 1.9573 k = 0.0806 0.0466 0.3083 ( 11992 PWs) bands (ev): -13.7546 -13.7546 -13.7138 -13.7138 -13.1213 -13.1213 -13.1207 -13.1207 -13.1114 -13.1114 -13.1096 -13.1096 -3.3823 -3.3823 -2.6030 -2.6030 -2.4829 -2.4829 -2.4583 -2.4583 -2.4329 -2.4329 -2.1972 -2.1972 -2.1352 -2.1352 -2.0643 -2.0643 -1.9905 -1.9905 -1.8229 -1.8229 -1.7810 -1.7810 -1.7688 -1.7688 -1.7255 -1.7255 -1.5957 -1.5957 -0.2792 -0.2792 -0.2229 -0.2229 -0.1803 -0.1803 -0.1143 -0.1143 -0.0065 -0.0065 0.5612 0.5612 0.5859 0.5859 0.9732 0.9732 1.0149 1.0149 1.9579 1.9579 k = 0.0968 0.0559 0.3083 ( 11988 PWs) bands (ev): -13.7497 -13.7497 -13.7093 -13.7093 -13.1244 -13.1244 -13.1234 -13.1234 -13.1146 -13.1146 -13.1120 -13.1120 -3.3736 -3.3736 -2.6311 -2.6311 -2.4945 -2.4945 -2.4718 -2.4718 -2.4389 -2.4389 -2.2009 -2.2009 -2.1364 -2.1364 -2.0437 -2.0437 -1.9896 -1.9896 -1.8229 -1.8229 -1.7643 -1.7643 -1.7493 -1.7493 -1.6899 -1.6899 -1.5591 -1.5591 -0.2970 -0.2970 -0.2343 -0.2343 -0.1872 -0.1872 -0.1380 -0.1380 -0.0201 -0.0201 0.5367 0.5367 0.5579 0.5579 1.0046 1.0046 1.0450 1.0450 1.9584 1.9585 k = 0.1129 0.0652 0.3083 ( 11996 PWs) bands (ev): -13.7440 -13.7440 -13.7040 -13.7040 -13.1282 -13.1282 -13.1266 -13.1266 -13.1184 -13.1184 -13.1146 -13.1146 -3.3634 -3.3634 -2.6595 -2.6595 -2.5070 -2.5070 -2.4858 -2.4858 -2.4448 -2.4448 -2.2044 -2.2044 -2.1382 -2.1382 -2.0413 -2.0413 -1.9716 -1.9716 -1.8233 -1.8233 -1.7490 -1.7490 -1.7213 -1.7213 -1.6491 -1.6491 -1.5199 -1.5199 -0.3222 -0.3222 -0.2498 -0.2498 -0.1973 -0.1973 -0.1583 -0.1583 -0.0341 -0.0341 0.5108 0.5108 0.5297 0.5297 1.0362 1.0362 1.0778 1.0778 1.9589 1.9589 k = 0.1290 0.0745 0.3083 ( 12000 PWs) bands (ev): -13.7373 -13.7373 -13.6979 -13.6979 -13.1327 -13.1327 -13.1302 -13.1302 -13.1228 -13.1228 -13.1175 -13.1175 -3.3518 -3.3518 -2.6875 -2.6875 -2.5203 -2.5203 -2.4995 -2.4995 -2.4502 -2.4502 -2.2077 -2.2077 -2.1404 -2.1404 -2.0485 -2.0485 -1.9480 -1.9480 -1.8231 -1.8231 -1.7297 -1.7297 -1.6889 -1.6889 -1.6050 -1.6050 -1.4785 -1.4785 -0.3539 -0.3539 -0.2756 -0.2756 -0.2113 -0.2113 -0.1681 -0.1681 -0.0487 -0.0487 0.4839 0.4839 0.5017 0.5017 1.0676 1.0676 1.1127 1.1127 1.9593 1.9593 k = 0.1452 0.0838 0.3083 ( 11990 PWs) bands (ev): -13.7299 -13.7299 -13.6911 -13.6911 -13.1378 -13.1378 -13.1344 -13.1344 -13.1275 -13.1275 -13.1205 -13.1205 -3.3389 -3.3389 -2.7149 -2.7149 -2.5346 -2.5346 -2.5120 -2.5120 -2.4547 -2.4547 -2.2105 -2.2105 -2.1426 -2.1426 -2.0581 -2.0581 -1.9280 -1.9280 -1.8220 -1.8220 -1.7037 -1.7037 -1.6538 -1.6538 -1.5583 -1.5583 -1.4352 -1.4352 -0.3909 -0.3909 -0.3145 -0.3145 -0.2245 -0.2245 -0.1701 -0.1701 -0.0639 -0.0639 0.4561 0.4561 0.4743 0.4743 1.0987 1.0987 1.1492 1.1492 1.9594 1.9595 k = 0.1613 0.0931 0.3083 ( 11994 PWs) bands (ev): -13.7217 -13.7217 -13.6836 -13.6836 -13.1437 -13.1437 -13.1394 -13.1394 -13.1324 -13.1324 -13.1237 -13.1237 -3.3247 -3.3247 -2.7415 -2.7415 -2.5499 -2.5499 -2.5226 -2.5226 -2.4579 -2.4579 -2.2130 -2.2130 -2.1446 -2.1446 -2.0683 -2.0683 -1.9142 -1.9142 -1.8202 -1.8202 -1.6708 -1.6708 -1.6168 -1.6168 -1.5092 -1.5092 -1.3904 -1.3904 -0.4323 -0.4323 -0.3631 -0.3631 -0.2359 -0.2359 -0.1683 -0.1683 -0.0800 -0.0800 0.4277 0.4277 0.4476 0.4476 1.1294 1.1294 1.1870 1.1870 1.9595 1.9595 k = 0.1774 0.1024 0.3083 ( 11994 PWs) bands (ev): -13.7126 -13.7126 -13.6753 -13.6753 -13.1504 -13.1504 -13.1455 -13.1455 -13.1370 -13.1370 -13.1270 -13.1270 -3.3093 -3.3093 -2.7672 -2.7672 -2.5661 -2.5661 -2.5309 -2.5309 -2.4596 -2.4596 -2.2153 -2.2153 -2.1462 -2.1462 -2.0784 -2.0784 -1.9064 -1.9064 -1.8178 -1.8178 -1.6318 -1.6318 -1.5784 -1.5784 -1.4581 -1.4581 -1.3444 -1.3444 -0.4776 -0.4776 -0.4180 -0.4180 -0.2470 -0.2470 -0.1645 -0.1645 -0.0968 -0.0968 0.3987 0.3987 0.4218 0.4218 1.1596 1.1596 1.2257 1.2257 1.9593 1.9593 k = 0.1935 0.1117 0.3083 ( 12000 PWs) bands (ev): -13.7028 -13.7028 -13.6663 -13.6663 -13.1577 -13.1577 -13.1527 -13.1527 -13.1415 -13.1415 -13.1303 -13.1303 -3.2929 -3.2929 -2.7918 -2.7918 -2.5828 -2.5828 -2.5369 -2.5369 -2.4596 -2.4596 -2.2175 -2.2175 -2.1470 -2.1470 -2.0881 -2.0881 -1.9037 -1.9037 -1.8149 -1.8149 -1.5887 -1.5887 -1.5390 -1.5390 -1.4054 -1.4054 -1.2976 -1.2976 -0.5261 -0.5261 -0.4773 -0.4773 -0.2583 -0.2583 -0.1601 -0.1601 -0.1141 -0.1141 0.3694 0.3694 0.3969 0.3969 1.1893 1.1893 1.2649 1.2649 1.9590 1.9590 k = 0.2097 0.1211 0.3083 ( 11998 PWs) bands (ev): -13.6923 -13.6923 -13.6566 -13.6566 -13.1657 -13.1657 -13.1608 -13.1608 -13.1459 -13.1459 -13.1337 -13.1337 -3.2756 -3.2756 -2.8151 -2.8151 -2.5997 -2.5997 -2.5404 -2.5404 -2.4578 -2.4578 -2.2198 -2.2198 -2.1470 -2.1470 -2.0972 -2.0972 -1.9049 -1.9049 -1.8115 -1.8115 -1.5428 -1.5428 -1.4987 -1.4987 -1.3512 -1.3512 -1.2503 -1.2503 -0.5776 -0.5776 -0.5399 -0.5399 -0.2703 -0.2703 -0.1573 -0.1573 -0.1300 -0.1300 0.3399 0.3399 0.3730 0.3730 1.2184 1.2184 1.3045 1.3045 1.9585 1.9585 k = 0.2258 0.1304 0.3083 ( 11992 PWs) bands (ev): -13.6811 -13.6811 -13.6463 -13.6463 -13.1745 -13.1745 -13.1697 -13.1697 -13.1501 -13.1501 -13.1372 -13.1372 -3.2575 -3.2575 -2.8372 -2.8372 -2.6166 -2.6166 -2.5416 -2.5416 -2.4541 -2.4541 -2.2220 -2.2220 -2.1461 -2.1461 -2.1054 -2.1054 -1.9090 -1.9090 -1.8078 -1.8078 -1.4954 -1.4954 -1.4578 -1.4578 -1.2959 -1.2959 -1.2029 -1.2029 -0.6315 -0.6315 -0.6049 -0.6049 -0.2831 -0.2831 -0.1643 -0.1643 -0.1366 -0.1366 0.3106 0.3106 0.3500 0.3500 1.2467 1.2467 1.3442 1.3442 1.9579 1.9579 k = 0.2419 0.1397 0.3083 ( 11994 PWs) bands (ev): -13.6691 -13.6691 -13.6353 -13.6353 -13.1839 -13.1839 -13.1795 -13.1795 -13.1543 -13.1543 -13.1406 -13.1406 -3.2388 -3.2388 -2.8578 -2.8578 -2.6332 -2.6332 -2.5406 -2.5406 -2.4487 -2.4487 -2.2241 -2.2241 -2.1442 -2.1442 -2.1126 -2.1126 -1.9154 -1.9154 -1.8038 -1.8038 -1.4474 -1.4474 -1.4164 -1.4164 -1.2400 -1.2400 -1.1558 -1.1558 -0.6877 -0.6877 -0.6715 -0.6715 -0.2965 -0.2965 -0.1822 -0.1822 -0.1333 -0.1333 0.2814 0.2814 0.3280 0.3280 1.2741 1.2741 1.3837 1.3837 1.9572 1.9572 k = 0.2581 0.1490 0.3083 ( 12002 PWs) bands (ev): -13.6565 -13.6565 -13.6238 -13.6238 -13.1939 -13.1939 -13.1900 -13.1900 -13.1583 -13.1583 -13.1439 -13.1439 -3.2199 -3.2199 -2.8768 -2.8768 -2.6493 -2.6493 -2.5374 -2.5374 -2.4416 -2.4416 -2.2259 -2.2259 -2.1417 -2.1417 -2.1183 -2.1183 -1.9236 -1.9236 -1.7998 -1.7998 -1.3996 -1.3996 -1.3746 -1.3746 -1.1839 -1.1839 -1.1095 -1.1095 -0.7464 -0.7464 -0.7379 -0.7379 -0.3108 -0.3108 -0.2036 -0.2036 -0.1275 -0.1275 0.2527 0.2527 0.3071 0.3071 1.3005 1.3005 1.4230 1.4230 1.9563 1.9563 k = 0.2742 0.1583 0.3083 ( 12008 PWs) bands (ev): -13.6434 -13.6434 -13.6116 -13.6116 -13.2046 -13.2046 -13.2013 -13.2013 -13.1623 -13.1623 -13.1472 -13.1472 -3.2010 -3.2010 -2.8940 -2.8940 -2.6649 -2.6649 -2.5322 -2.5322 -2.4331 -2.4331 -2.2272 -2.2272 -2.1393 -2.1393 -2.1216 -2.1216 -1.9329 -1.9329 -1.7957 -1.7957 -1.3527 -1.3527 -1.3324 -1.3324 -1.1284 -1.1284 -1.0648 -1.0648 -0.8105 -0.8105 -0.7997 -0.7997 -0.3259 -0.3259 -0.2265 -0.2265 -0.1214 -0.1214 0.2245 0.2245 0.2873 0.2873 1.3258 1.3258 1.4618 1.4618 1.9552 1.9552 k = 0.2903 0.1676 0.3083 ( 11998 PWs) bands (ev): -13.6296 -13.6296 -13.5990 -13.5990 -13.2159 -13.2159 -13.2132 -13.2132 -13.1661 -13.1661 -13.1504 -13.1504 -3.1824 -3.1824 -2.9091 -2.9091 -2.6798 -2.6798 -2.5254 -2.5254 -2.4236 -2.4236 -2.2276 -2.2276 -2.1381 -2.1381 -2.1213 -2.1213 -1.9428 -1.9428 -1.7917 -1.7917 -1.3077 -1.3077 -1.2895 -1.2895 -1.0753 -1.0753 -1.0228 -1.0228 -0.8761 -0.8761 -0.8570 -0.8570 -0.3418 -0.3418 -0.2505 -0.2505 -0.1158 -0.1158 0.1972 0.1972 0.2687 0.2687 1.3497 1.3497 1.4999 1.4999 1.9541 1.9541 k = 0.3065 0.1769 0.3083 ( 11986 PWs) bands (ev): -13.6153 -13.6153 -13.5858 -13.5858 -13.2278 -13.2278 -13.2257 -13.2257 -13.1698 -13.1698 -13.1535 -13.1535 -3.1648 -3.1648 -2.9217 -2.9217 -2.6938 -2.6938 -2.5173 -2.5173 -2.4136 -2.4136 -2.2268 -2.2268 -2.1383 -2.1383 -2.1172 -2.1172 -1.9529 -1.9529 -1.7879 -1.7879 -1.2654 -1.2654 -1.2467 -1.2467 -1.0327 -1.0327 -0.9890 -0.9890 -0.9335 -0.9335 -0.9054 -0.9054 -0.3585 -0.3585 -0.2752 -0.2752 -0.1113 -0.1113 0.1710 0.1710 0.2512 0.2512 1.3722 1.3722 1.5369 1.5369 1.9527 1.9527 k = 0.3226 0.1862 0.3083 ( 11982 PWs) bands (ev): -13.6005 -13.6005 -13.5722 -13.5722 -13.2403 -13.2403 -13.2389 -13.2389 -13.1733 -13.1733 -13.1564 -13.1564 -3.1487 -3.1487 -2.9313 -2.9313 -2.7070 -2.7070 -2.5082 -2.5082 -2.4035 -2.4035 -2.2246 -2.2246 -2.1388 -2.1388 -2.1102 -2.1102 -1.9625 -1.9625 -1.7841 -1.7841 -1.2268 -1.2268 -1.2065 -1.2065 -1.0388 -1.0388 -1.0003 -1.0003 -0.9358 -0.9358 -0.9129 -0.9129 -0.3762 -0.3762 -0.3006 -0.3006 -0.1082 -0.1082 0.1464 0.1464 0.2350 0.2350 1.3931 1.3931 1.5729 1.5729 1.9511 1.9514 k = 0.3387 0.1956 0.3083 ( 11974 PWs) bands (ev): -13.5853 -13.5853 -13.5581 -13.5581 -13.2533 -13.2533 -13.2525 -13.2525 -13.1766 -13.1766 -13.1592 -13.1592 -3.1348 -3.1348 -2.9375 -2.9375 -2.7193 -2.7193 -2.4986 -2.4986 -2.3940 -2.3940 -2.2208 -2.2208 -2.1391 -2.1391 -2.1010 -2.1010 -1.9705 -1.9705 -1.7806 -1.7806 -1.1959 -1.1959 -1.1789 -1.1789 -1.0774 -1.0774 -1.0449 -1.0449 -0.8937 -0.8937 -0.8834 -0.8834 -0.3947 -0.3947 -0.3263 -0.3263 -0.1071 -0.1071 0.1239 0.1239 0.2200 0.2200 1.4122 1.4122 1.6073 1.6073 1.9495 1.9496 k = 0.3548 0.2049 0.3083 ( 11986 PWs) bands (ev): -13.5696 -13.5696 -13.5437 -13.5437 -13.2672 -13.2672 -13.2663 -13.2663 -13.1796 -13.1796 -13.1618 -13.1618 -3.1238 -3.1238 -2.9399 -2.9399 -2.7305 -2.7305 -2.4890 -2.4890 -2.3855 -2.3855 -2.2153 -2.2153 -2.1392 -2.1392 -2.0895 -2.0895 -1.9761 -1.9761 -1.7773 -1.7773 -1.2057 -1.2057 -1.1775 -1.1775 -1.0815 -1.0815 -1.0717 -1.0717 -0.8551 -0.8551 -0.8409 -0.8409 -0.4141 -0.4141 -0.3521 -0.3521 -0.1085 -0.1085 0.1039 0.1039 0.2063 0.2063 1.4295 1.4295 1.6401 1.6401 1.9482 1.9556 k = 0.3710 0.2142 0.3083 ( 11978 PWs) bands (ev): -13.5536 -13.5536 -13.5289 -13.5289 -13.2818 -13.2818 -13.2803 -13.2803 -13.1824 -13.1824 -13.1641 -13.1641 -3.1160 -3.1160 -2.9384 -2.9384 -2.7407 -2.7407 -2.4797 -2.4797 -2.3785 -2.3785 -2.2084 -2.2084 -2.1400 -2.1400 -2.0754 -2.0754 -1.9780 -1.9780 -1.7741 -1.7741 -1.2592 -1.2592 -1.2061 -1.2061 -1.0701 -1.0701 -1.0432 -1.0432 -0.8237 -0.8237 -0.7936 -0.7936 -0.4344 -0.4344 -0.3779 -0.3779 -0.1129 -0.1129 0.0871 0.0871 0.1940 0.1940 1.4449 1.4449 1.6709 1.6709 1.9455 1.9476 k = 0.3871 0.2235 0.3083 ( 11978 PWs) bands (ev): -13.5374 -13.5374 -13.5138 -13.5138 -13.2970 -13.2970 -13.2946 -13.2946 -13.1849 -13.1849 -13.1662 -13.1662 -3.1114 -3.1114 -2.9335 -2.9335 -2.7497 -2.7497 -2.4712 -2.4712 -2.3730 -2.3730 -2.2007 -2.2007 -2.1419 -2.1419 -2.0585 -2.0585 -1.9750 -1.9750 -1.7711 -1.7711 -1.3205 -1.3205 -1.2543 -1.2543 -1.0418 -1.0418 -1.0047 -1.0047 -0.7962 -0.7962 -0.7479 -0.7479 -0.4554 -0.4554 -0.4030 -0.4030 -0.1205 -0.1205 0.0737 0.0737 0.1831 0.1831 1.4584 1.4584 1.6995 1.6995 1.9430 1.9430 k = 0.4032 0.2328 0.3083 ( 11978 PWs) bands (ev): -13.5209 -13.5209 -13.4985 -13.4985 -13.3125 -13.3125 -13.3093 -13.3093 -13.1872 -13.1872 -13.1681 -13.1681 -3.1092 -3.1092 -2.9260 -2.9260 -2.7576 -2.7576 -2.4637 -2.4637 -2.3689 -2.3689 -2.1928 -2.1928 -2.1453 -2.1453 -2.0389 -2.0389 -1.9664 -1.9664 -1.7683 -1.7683 -1.3821 -1.3821 -1.3061 -1.3061 -1.0095 -1.0095 -0.9656 -0.9656 -0.7728 -0.7728 -0.7051 -0.7051 -0.4772 -0.4772 -0.4271 -0.4271 -0.1310 -0.1310 0.0637 0.0637 0.1735 0.1735 1.4699 1.4699 1.7255 1.7255 1.9405 1.9427 k = 0.4194 0.2421 0.3083 ( 11952 PWs) bands (ev): -13.5042 -13.5042 -13.4829 -13.4829 -13.3283 -13.3283 -13.3243 -13.3243 -13.1891 -13.1891 -13.1697 -13.1697 -3.1089 -3.1089 -2.9172 -2.9172 -2.7644 -2.7644 -2.4574 -2.4574 -2.3660 -2.3660 -2.1854 -2.1854 -2.1498 -2.1498 -2.0173 -2.0173 -1.9521 -1.9521 -1.7655 -1.7655 -1.4420 -1.4420 -1.3567 -1.3567 -0.9773 -0.9773 -0.9279 -0.9279 -0.7540 -0.7540 -0.6660 -0.6660 -0.4993 -0.4993 -0.4493 -0.4493 -0.1437 -0.1437 0.0567 0.0567 0.1654 0.1654 1.4795 1.4795 1.7488 1.7488 1.9369 1.9373 k = 0.4355 0.2514 0.3083 ( 11962 PWs) bands (ev): -13.4876 -13.4876 -13.4672 -13.4672 -13.3443 -13.3443 -13.3395 -13.3395 -13.1906 -13.1906 -13.1710 -13.1710 -3.1096 -3.1096 -2.9082 -2.9082 -2.7699 -2.7699 -2.4524 -2.4524 -2.3640 -2.3640 -2.1792 -2.1792 -2.1548 -2.1548 -1.9948 -1.9948 -1.9327 -1.9327 -1.7629 -1.7629 -1.4986 -1.4986 -1.4038 -1.4038 -0.9469 -0.9469 -0.8929 -0.8929 -0.7402 -0.7402 -0.6316 -0.6316 -0.5212 -0.5212 -0.4690 -0.4690 -0.1573 -0.1573 0.0521 0.0521 0.1588 0.1588 1.4872 1.4872 1.7688 1.7688 1.9325 1.9328 k = 0.4516 0.2607 0.3083 ( 11966 PWs) bands (ev): -13.4712 -13.4712 -13.4514 -13.4514 -13.3602 -13.3602 -13.3549 -13.3549 -13.1919 -13.1919 -13.1721 -13.1721 -3.1107 -3.1107 -2.9001 -2.9001 -2.7743 -2.7743 -2.4486 -2.4486 -2.3628 -2.3628 -2.1746 -2.1746 -2.1593 -2.1593 -1.9733 -1.9733 -1.9094 -1.9094 -1.7604 -1.7604 -1.5503 -1.5503 -1.4451 -1.4451 -0.9198 -0.9198 -0.8619 -0.8619 -0.7314 -0.7314 -0.6030 -0.6030 -0.5418 -0.5418 -0.4851 -0.4851 -0.1705 -0.1705 0.0493 0.0493 0.1537 0.1537 1.4931 1.4931 1.7853 1.7853 1.9285 1.9285 k = 0.4677 0.2701 0.3083 ( 11970 PWs) bands (ev): -13.4554 -13.4554 -13.4356 -13.4356 -13.3756 -13.3756 -13.3705 -13.3705 -13.1928 -13.1928 -13.1728 -13.1728 -3.1117 -3.1117 -2.8937 -2.8937 -2.7774 -2.7774 -2.4460 -2.4460 -2.3620 -2.3620 -2.1724 -2.1724 -2.1619 -2.1619 -1.9553 -1.9553 -1.8849 -1.8849 -1.7583 -1.7583 -1.5943 -1.5943 -1.4782 -1.4782 -0.8977 -0.8977 -0.8368 -0.8368 -0.7268 -0.7268 -0.5823 -0.5823 -0.5587 -0.5587 -0.4970 -0.4970 -0.1815 -0.1815 0.0476 0.0476 0.1500 0.1500 1.4972 1.4972 1.7977 1.7977 1.9250 1.9251 k = 0.4839 0.2794 0.3083 ( 11978 PWs) bands (ev): -13.4417 -13.4417 -13.4201 -13.4201 -13.3891 -13.3891 -13.3858 -13.3858 -13.1933 -13.1933 -13.1733 -13.1733 -3.1124 -3.1124 -2.8896 -2.8896 -2.7793 -2.7793 -2.4444 -2.4444 -2.3616 -2.3616 -2.1724 -2.1724 -2.1625 -2.1625 -1.9431 -1.9431 -1.8643 -1.8643 -1.7573 -1.7573 -1.6257 -1.6257 -1.5001 -1.5001 -0.8828 -0.8828 -0.8201 -0.8201 -0.7251 -0.7251 -0.5780 -0.5780 -0.5620 -0.5620 -0.5043 -0.5043 -0.1890 -0.1890 0.0467 0.0467 0.1478 0.1478 1.4997 1.4997 1.8054 1.8054 1.9227 1.9227 k = 0.5000 0.2887 0.3083 ( 11984 PWs) bands (ev): -13.4351 -13.4351 -13.4091 -13.4091 -13.3967 -13.3967 -13.3956 -13.3956 -13.1935 -13.1935 -13.1734 -13.1734 -3.1127 -3.1127 -2.8882 -2.8882 -2.7799 -2.7799 -2.4439 -2.4439 -2.3615 -2.3615 -2.1726 -2.1726 -2.1624 -2.1624 -1.9388 -1.9388 -1.8557 -1.8557 -1.7571 -1.7571 -1.6375 -1.6375 -1.5078 -1.5078 -0.8775 -0.8775 -0.8142 -0.8142 -0.7247 -0.7247 -0.5812 -0.5812 -0.5588 -0.5588 -0.5067 -0.5067 -0.1917 -0.1917 0.0465 0.0465 0.1470 0.1470 1.5005 1.5005 1.8081 1.8081 1.9218 1.9218 k = 0.5000 0.2887 0.3083 ( 11984 PWs) bands (ev): -13.4351 -13.4351 -13.4091 -13.4091 -13.3967 -13.3967 -13.3956 -13.3956 -13.1935 -13.1935 -13.1734 -13.1734 -3.1127 -3.1127 -2.8882 -2.8882 -2.7799 -2.7799 -2.4439 -2.4439 -2.3615 -2.3615 -2.1726 -2.1726 -2.1624 -2.1624 -1.9388 -1.9388 -1.8557 -1.8557 -1.7571 -1.7571 -1.6375 -1.6375 -1.5078 -1.5078 -0.8775 -0.8775 -0.8142 -0.8142 -0.7247 -0.7247 -0.5812 -0.5812 -0.5588 -0.5588 -0.5067 -0.5067 -0.1917 -0.1917 0.0465 0.0465 0.1470 0.1470 1.5005 1.5005 1.8081 1.8081 1.9218 1.9218 k = 0.4907 0.3047 0.3083 ( 11976 PWs) bands (ev): -13.4348 -13.4348 -13.4089 -13.4089 -13.3966 -13.3966 -13.3953 -13.3953 -13.1940 -13.1940 -13.1740 -13.1740 -3.1113 -3.1113 -2.8880 -2.8880 -2.7784 -2.7784 -2.4450 -2.4450 -2.3605 -2.3605 -2.1722 -2.1722 -2.1625 -2.1625 -1.9405 -1.9405 -1.8569 -1.8569 -1.7592 -1.7592 -1.6400 -1.6400 -1.5087 -1.5087 -0.8785 -0.8785 -0.8108 -0.8108 -0.7229 -0.7229 -0.5797 -0.5797 -0.5583 -0.5583 -0.5062 -0.5062 -0.1916 -0.1916 0.0461 0.0461 0.1465 0.1465 1.5016 1.5016 1.8075 1.8075 1.9189 1.9189 k = 0.4815 0.3208 0.3083 ( 11968 PWs) bands (ev): -13.4340 -13.4340 -13.4081 -13.4081 -13.3962 -13.3962 -13.3943 -13.3943 -13.1955 -13.1955 -13.1756 -13.1756 -3.1069 -3.1069 -2.8872 -2.8872 -2.7741 -2.7741 -2.4481 -2.4481 -2.3578 -2.3578 -2.1713 -2.1713 -2.1624 -2.1624 -1.9458 -1.9458 -1.8604 -1.8604 -1.7653 -1.7653 -1.6471 -1.6471 -1.5115 -1.5115 -0.8807 -0.8807 -0.8015 -0.8015 -0.7176 -0.7176 -0.5754 -0.5754 -0.5569 -0.5569 -0.5045 -0.5045 -0.1916 -0.1916 0.0450 0.0450 0.1451 0.1451 1.5050 1.5050 1.8056 1.8056 1.9130 1.9130 k = 0.4722 0.3368 0.3083 ( 11960 PWs) bands (ev): -13.4326 -13.4326 -13.4069 -13.4069 -13.3953 -13.3953 -13.3929 -13.3929 -13.1980 -13.1980 -13.1783 -13.1783 -3.0998 -3.0998 -2.8859 -2.8859 -2.7670 -2.7670 -2.4526 -2.4526 -2.3537 -2.3537 -2.1712 -2.1712 -2.1610 -2.1610 -1.9544 -1.9544 -1.8662 -1.8662 -1.7752 -1.7752 -1.6585 -1.6585 -1.5165 -1.5165 -0.8829 -0.8829 -0.7878 -0.7878 -0.7089 -0.7089 -0.5684 -0.5684 -0.5544 -0.5544 -0.5018 -0.5018 -0.1916 -0.1916 0.0432 0.0432 0.1427 0.1427 1.5104 1.5104 1.8026 1.8026 1.9063 1.9063 k = 0.4630 0.3528 0.3083 ( 11976 PWs) bands (ev): -13.4308 -13.4308 -13.4052 -13.4052 -13.3940 -13.3940 -13.3910 -13.3910 -13.2015 -13.2015 -13.1821 -13.1821 -3.0900 -3.0900 -2.8841 -2.8841 -2.7572 -2.7572 -2.4582 -2.4582 -2.3486 -2.3486 -2.1730 -2.1730 -2.1571 -2.1571 -1.9662 -1.9662 -1.8742 -1.8742 -1.7883 -1.7883 -1.6733 -1.6733 -1.5238 -1.5238 -0.8841 -0.8841 -0.7712 -0.7712 -0.6970 -0.6970 -0.5594 -0.5594 -0.5510 -0.5510 -0.4982 -0.4982 -0.1915 -0.1915 0.0407 0.0407 0.1393 0.1393 1.5180 1.5180 1.7986 1.7986 1.8992 1.8992 k = 0.4537 0.3689 0.3083 ( 11988 PWs) bands (ev): -13.4284 -13.4284 -13.4031 -13.4031 -13.3923 -13.3923 -13.3886 -13.3886 -13.2060 -13.2060 -13.1869 -13.1869 -3.0775 -3.0775 -2.8819 -2.8819 -2.7449 -2.7449 -2.4643 -2.4643 -2.3427 -2.3427 -2.1763 -2.1763 -2.1514 -2.1514 -1.9809 -1.9809 -1.8843 -1.8843 -1.8040 -1.8040 -1.6908 -1.6908 -1.5335 -1.5335 -0.8840 -0.8840 -0.7527 -0.7527 -0.6824 -0.6824 -0.5495 -0.5495 -0.5458 -0.5458 -0.4936 -0.4936 -0.1913 -0.1913 0.0376 0.0376 0.1348 0.1348 1.5275 1.5275 1.7939 1.7939 1.8920 1.8920 k = 0.4444 0.3849 0.3083 ( 11986 PWs) bands (ev): -13.4254 -13.4254 -13.4005 -13.4005 -13.3901 -13.3901 -13.3858 -13.3858 -13.2114 -13.2114 -13.1928 -13.1928 -3.0627 -3.0627 -2.8793 -2.8793 -2.7302 -2.7302 -2.4704 -2.4704 -2.3362 -2.3362 -2.1810 -2.1810 -2.1442 -2.1442 -1.9983 -1.9983 -1.8965 -1.8965 -1.8216 -1.8216 -1.7104 -1.7104 -1.5456 -1.5456 -0.8825 -0.8825 -0.7331 -0.7331 -0.6653 -0.6653 -0.5427 -0.5427 -0.5354 -0.5354 -0.4882 -0.4882 -0.1910 -0.1910 0.0339 0.0339 0.1294 0.1294 1.5388 1.5388 1.7886 1.7886 1.8847 1.8847 k = 0.4352 0.4009 0.3083 ( 11990 PWs) bands (ev): -13.4220 -13.4220 -13.3974 -13.3974 -13.3875 -13.3875 -13.3826 -13.3826 -13.2177 -13.2177 -13.1996 -13.1996 -3.0456 -3.0456 -2.8765 -2.8765 -2.7137 -2.7137 -2.4759 -2.4759 -2.3292 -2.3292 -2.1867 -2.1867 -2.1360 -2.1360 -2.0180 -2.0180 -1.9110 -1.9110 -1.8400 -1.8400 -1.7316 -1.7316 -1.5597 -1.5597 -0.8797 -0.8797 -0.7129 -0.7129 -0.6464 -0.6464 -0.5368 -0.5368 -0.5227 -0.5227 -0.4821 -0.4821 -0.1906 -0.1906 0.0297 0.0297 0.1230 0.1230 1.5517 1.5517 1.7829 1.7829 1.8774 1.8774 k = 0.4259 0.4170 0.3083 ( 12002 PWs) bands (ev): -13.4181 -13.4181 -13.3939 -13.3939 -13.3845 -13.3845 -13.3790 -13.3790 -13.2249 -13.2249 -13.2074 -13.2074 -3.0267 -3.0267 -2.8735 -2.8735 -2.6957 -2.6957 -2.4805 -2.4805 -2.3215 -2.3215 -2.1935 -2.1935 -2.1271 -2.1271 -2.0393 -2.0393 -1.9279 -1.9279 -1.8582 -1.8582 -1.7540 -1.7540 -1.5757 -1.5757 -0.8759 -0.8759 -0.6927 -0.6927 -0.6262 -0.6262 -0.5304 -0.5304 -0.5097 -0.5097 -0.4755 -0.4755 -0.1901 -0.1901 0.0251 0.0251 0.1156 0.1156 1.5660 1.5660 1.7771 1.7771 1.8701 1.8701 k = 0.4167 0.4330 0.3083 ( 11982 PWs) bands (ev): -13.4137 -13.4137 -13.3899 -13.3899 -13.3811 -13.3811 -13.3749 -13.3749 -13.2330 -13.2330 -13.2160 -13.2160 -3.0062 -3.0062 -2.8705 -2.8705 -2.6770 -2.6770 -2.4832 -2.4832 -2.3130 -2.3130 -2.2013 -2.2013 -2.1180 -2.1180 -2.0617 -2.0617 -1.9474 -1.9474 -1.8751 -1.8751 -1.7770 -1.7770 -1.5929 -1.5929 -0.8711 -0.8711 -0.6729 -0.6729 -0.6051 -0.6051 -0.5238 -0.5238 -0.4968 -0.4968 -0.4686 -0.4686 -0.1895 -0.1895 0.0202 0.0202 0.1072 0.1072 1.5814 1.5814 1.7713 1.7713 1.8628 1.8628 k = 0.4074 0.4491 0.3083 ( 11978 PWs) bands (ev): -13.4088 -13.4088 -13.3855 -13.3855 -13.3773 -13.3773 -13.3705 -13.3705 -13.2419 -13.2419 -13.2256 -13.2256 -2.9847 -2.9847 -2.8675 -2.8675 -2.6588 -2.6588 -2.4830 -2.4830 -2.3036 -2.3036 -2.2101 -2.2101 -2.1111 -2.1111 -2.0825 -2.0825 -1.9693 -1.9693 -1.8901 -1.8901 -1.8006 -1.8006 -1.6110 -1.6110 -0.8657 -0.8657 -0.6538 -0.6538 -0.5840 -0.5840 -0.5170 -0.5170 -0.4845 -0.4845 -0.4614 -0.4614 -0.1886 -0.1886 0.0153 0.0153 0.0979 0.0979 1.5977 1.5977 1.7655 1.7655 1.8556 1.8556 k = 0.3981 0.4651 0.3083 ( 11978 PWs) bands (ev): -13.4034 -13.4034 -13.3808 -13.3808 -13.3731 -13.3731 -13.3658 -13.3658 -13.2516 -13.2516 -13.2359 -13.2359 -2.9627 -2.9627 -2.8646 -2.8646 -2.6425 -2.6425 -2.4786 -2.4786 -2.2930 -2.2930 -2.2197 -2.2197 -2.1189 -2.1189 -2.0890 -2.0890 -1.9929 -1.9929 -1.9030 -1.9030 -1.8243 -1.8243 -1.6295 -1.6295 -0.8598 -0.8598 -0.6357 -0.6357 -0.5635 -0.5635 -0.5104 -0.5104 -0.4731 -0.4731 -0.4543 -0.4543 -0.1877 -0.1877 0.0105 0.0105 0.0879 0.0879 1.6143 1.6143 1.7600 1.7600 1.8485 1.8485 k = 0.3889 0.4811 0.3083 ( 11982 PWs) bands (ev): -13.3976 -13.3976 -13.3756 -13.3756 -13.3687 -13.3687 -13.3608 -13.3608 -13.2619 -13.2619 -13.2469 -13.2469 -2.9408 -2.9408 -2.8621 -2.8621 -2.6295 -2.6295 -2.4684 -2.4684 -2.2811 -2.2811 -2.2301 -2.2301 -2.1407 -2.1407 -2.0822 -2.0822 -2.0170 -2.0170 -1.9140 -1.9140 -1.8478 -1.8478 -1.6477 -1.6477 -0.8539 -0.8539 -0.6187 -0.6187 -0.5442 -0.5442 -0.5041 -0.5041 -0.4629 -0.4629 -0.4476 -0.4476 -0.1867 -0.1867 0.0062 0.0062 0.0774 0.0774 1.6310 1.6310 1.7549 1.7549 1.8416 1.8416 k = 0.3796 0.4972 0.3083 ( 11978 PWs) bands (ev): -13.3914 -13.3914 -13.3700 -13.3700 -13.3639 -13.3639 -13.3555 -13.3555 -13.2729 -13.2729 -13.2585 -13.2585 -2.9199 -2.9199 -2.8599 -2.8599 -2.6208 -2.6208 -2.4519 -2.4519 -2.2685 -2.2685 -2.2404 -2.2404 -2.1642 -2.1642 -2.0763 -2.0763 -2.0388 -2.0388 -1.9232 -1.9232 -1.8707 -1.8707 -1.6652 -1.6652 -0.8480 -0.8480 -0.6028 -0.6028 -0.5270 -0.5270 -0.4984 -0.4984 -0.4539 -0.4539 -0.4417 -0.4417 -0.1857 -0.1857 0.0025 0.0025 0.0667 0.0667 1.6473 1.6473 1.7502 1.7502 1.8349 1.8349 k = 0.3704 0.5132 0.3083 ( 11960 PWs) bands (ev): -13.3848 -13.3848 -13.3640 -13.3640 -13.3591 -13.3591 -13.3501 -13.3501 -13.2844 -13.2844 -13.2706 -13.2706 -2.9007 -2.9007 -2.8583 -2.8583 -2.6160 -2.6160 -2.4292 -2.4292 -2.2615 -2.2615 -2.2448 -2.2448 -2.1866 -2.1866 -2.0824 -2.0824 -2.0482 -2.0482 -1.9309 -1.9309 -1.8925 -1.8925 -1.6813 -1.6813 -0.8425 -0.8425 -0.5882 -0.5882 -0.5130 -0.5130 -0.4931 -0.4931 -0.4462 -0.4462 -0.4368 -0.4368 -0.1848 -0.1848 -0.0001 -0.0001 0.0561 0.0561 1.6625 1.6625 1.7461 1.7461 1.8286 1.8286 k = 0.3611 0.5292 0.3083 ( 11968 PWs) bands (ev): -13.3778 -13.3778 -13.3578 -13.3578 -13.3544 -13.3544 -13.3448 -13.3448 -13.2961 -13.2961 -13.2829 -13.2829 -2.8843 -2.8843 -2.8573 -2.8573 -2.6140 -2.6140 -2.4018 -2.4018 -2.2702 -2.2702 -2.2373 -2.2373 -2.2032 -2.2032 -2.1021 -2.1021 -2.0440 -2.0440 -1.9373 -1.9373 -1.9121 -1.9121 -1.6952 -1.6952 -0.8377 -0.8377 -0.5750 -0.5750 -0.5033 -0.5033 -0.4880 -0.4880 -0.4400 -0.4400 -0.4331 -0.4331 -0.1841 -0.1841 -0.0017 -0.0017 0.0463 0.0463 1.6758 1.6758 1.7430 1.7430 1.8228 1.8228 k = 0.3519 0.5453 0.3083 ( 11956 PWs) bands (ev): -13.3704 -13.3704 -13.3513 -13.3513 -13.3504 -13.3504 -13.3397 -13.3397 -13.3076 -13.3076 -13.2946 -13.2946 -2.8715 -2.8715 -2.8570 -2.8570 -2.6136 -2.6136 -2.3711 -2.3711 -2.2830 -2.2830 -2.2442 -2.2442 -2.1993 -2.1993 -2.1240 -2.1240 -2.0377 -2.0377 -1.9429 -1.9429 -1.9281 -1.9281 -1.7063 -1.7063 -0.8338 -0.8338 -0.5638 -0.5638 -0.4980 -0.4980 -0.4836 -0.4836 -0.4354 -0.4354 -0.4304 -0.4304 -0.1838 -0.1838 -0.0022 -0.0022 0.0380 0.0380 1.6861 1.6861 1.7411 1.7411 1.8179 1.8179 k = 0.3426 0.5613 0.3083 ( 11944 PWs) bands (ev): -13.3628 -13.3628 -13.3498 -13.3498 -13.3441 -13.3441 -13.3357 -13.3357 -13.3182 -13.3182 -13.3038 -13.3038 -2.8630 -2.8630 -2.8573 -2.8573 -2.6137 -2.6137 -2.3395 -2.3395 -2.2968 -2.2968 -2.2608 -2.2608 -2.1825 -2.1825 -2.1445 -2.1445 -2.0330 -2.0330 -1.9482 -1.9482 -1.9376 -1.9376 -1.7136 -1.7136 -0.8312 -0.8312 -0.5556 -0.5556 -0.4957 -0.4957 -0.4813 -0.4813 -0.4327 -0.4327 -0.4284 -0.4284 -0.1837 -0.1837 -0.0021 -0.0021 0.0323 0.0323 1.6924 1.6924 1.7407 1.7407 1.8144 1.8144 k = 0.3333 0.5774 0.3083 ( 11958 PWs) bands (ev): -13.3550 -13.3550 -13.3546 -13.3546 -13.3370 -13.3370 -13.3369 -13.3369 -13.3240 -13.3240 -13.3072 -13.3072 -2.8599 -2.8599 -2.8577 -2.8577 -2.6138 -2.6138 -2.3184 -2.3184 -2.3068 -2.3068 -2.2717 -2.2717 -2.1683 -2.1683 -2.1590 -2.1590 -2.0314 -2.0314 -1.9507 -1.9507 -1.9406 -1.9406 -1.7162 -1.7162 -0.8303 -0.8303 -0.5523 -0.5523 -0.4949 -0.4949 -0.4810 -0.4810 -0.4318 -0.4318 -0.4277 -0.4277 -0.1838 -0.1838 -0.0019 -0.0019 0.0302 0.0302 1.6944 1.6944 1.7409 1.7409 1.8130 1.8130 k = 0.3333 0.5774 0.3083 ( 11958 PWs) bands (ev): -13.3550 -13.3550 -13.3546 -13.3546 -13.3370 -13.3370 -13.3369 -13.3369 -13.3240 -13.3240 -13.3072 -13.3072 -2.8599 -2.8599 -2.8577 -2.8577 -2.6138 -2.6138 -2.3184 -2.3184 -2.3068 -2.3068 -2.2717 -2.2717 -2.1683 -2.1683 -2.1590 -2.1590 -2.0314 -2.0314 -1.9507 -1.9507 -1.9406 -1.9406 -1.7162 -1.7162 -0.8303 -0.8303 -0.5523 -0.5523 -0.4949 -0.4949 -0.4810 -0.4810 -0.4318 -0.4318 -0.4277 -0.4277 -0.1838 -0.1838 -0.0019 -0.0019 0.0302 0.0302 1.6944 1.6944 1.7409 1.7409 1.8130 1.8130 k = 0.3241 0.5613 0.3083 ( 11948 PWs) bands (ev): -13.3652 -13.3652 -13.3481 -13.3481 -13.3464 -13.3464 -13.3295 -13.3295 -13.3205 -13.3205 -13.3048 -13.3048 -2.8614 -2.8614 -2.8588 -2.8588 -2.6137 -2.6137 -2.3305 -2.3305 -2.3122 -2.3122 -2.2549 -2.2549 -2.1799 -2.1799 -2.1479 -2.1479 -2.0324 -2.0324 -1.9492 -1.9492 -1.9362 -1.9362 -1.7133 -1.7133 -0.8313 -0.8313 -0.5561 -0.5561 -0.4967 -0.4967 -0.4797 -0.4797 -0.4338 -0.4338 -0.4274 -0.4274 -0.1836 -0.1836 -0.0020 -0.0020 0.0322 0.0322 1.6927 1.6927 1.7401 1.7401 1.8145 1.8145 k = 0.3148 0.5453 0.3083 ( 11950 PWs) bands (ev): -13.3784 -13.3784 -13.3620 -13.3620 -13.3380 -13.3380 -13.3218 -13.3218 -13.3144 -13.3144 -13.2995 -13.2995 -2.8652 -2.8652 -2.8628 -2.8628 -2.6133 -2.6133 -2.3473 -2.3473 -2.3280 -2.3280 -2.2263 -2.2263 -2.1908 -2.1908 -2.1387 -2.1387 -2.0334 -2.0334 -1.9477 -1.9477 -1.9202 -1.9202 -1.7040 -1.7040 -0.8347 -0.8347 -0.5677 -0.5677 -0.5037 -0.5037 -0.4741 -0.4741 -0.4413 -0.4413 -0.4255 -0.4255 -0.1827 -0.1827 -0.0020 -0.0020 0.0380 0.0380 1.6883 1.6883 1.7372 1.7372 1.8188 1.8188 k = 0.3056 0.5292 0.3083 ( 11954 PWs) bands (ev): -13.3931 -13.3931 -13.3768 -13.3768 -13.3292 -13.3292 -13.3138 -13.3138 -13.3076 -13.3076 -13.2930 -13.2930 -2.8736 -2.8736 -2.8666 -2.8666 -2.6128 -2.6128 -2.3653 -2.3653 -2.3450 -2.3450 -2.2116 -2.2116 -2.1880 -2.1880 -2.1339 -2.1339 -2.0319 -2.0319 -1.9464 -1.9464 -1.8934 -1.8934 -1.6877 -1.6877 -0.8408 -0.8408 -0.5862 -0.5862 -0.5153 -0.5153 -0.4657 -0.4657 -0.4538 -0.4538 -0.4221 -0.4221 -0.1808 -0.1808 -0.0011 -0.0011 0.0464 0.0464 1.6816 1.6816 1.7321 1.7321 1.8252 1.8252 k = 0.2963 0.5132 0.3083 ( 11958 PWs) bands (ev): -13.4086 -13.4086 -13.3920 -13.3920 -13.3203 -13.3203 -13.3057 -13.3057 -13.3003 -13.3003 -13.2858 -13.2858 -2.8856 -2.8856 -2.8704 -2.8704 -2.6124 -2.6124 -2.3839 -2.3839 -2.3619 -2.3619 -2.2151 -2.2151 -2.1747 -2.1747 -2.1288 -2.1288 -2.0261 -2.0261 -1.9445 -1.9445 -1.8579 -1.8579 -1.6640 -1.6640 -0.8499 -0.8499 -0.6103 -0.6103 -0.5306 -0.5306 -0.4739 -0.4739 -0.4535 -0.4535 -0.4172 -0.4172 -0.1775 -0.1775 0.0010 0.0010 0.0568 0.0568 1.6728 1.6728 1.7254 1.7254 1.8328 1.8328 k = 0.2870 0.4972 0.3083 ( 11976 PWs) bands (ev): -13.4245 -13.4245 -13.4075 -13.4075 -13.3111 -13.3111 -13.2974 -13.2974 -13.2928 -13.2928 -13.2782 -13.2782 -2.9004 -2.9004 -2.8744 -2.8744 -2.6122 -2.6122 -2.4026 -2.4026 -2.3783 -2.3783 -2.2195 -2.2195 -2.1719 -2.1719 -2.1213 -2.1213 -2.0148 -2.0148 -1.9421 -1.9421 -1.8152 -1.8152 -1.6329 -1.6329 -0.8620 -0.8620 -0.6392 -0.6392 -0.5493 -0.5493 -0.4973 -0.4973 -0.4422 -0.4422 -0.4110 -0.4110 -0.1731 -0.1731 0.0044 0.0044 0.0686 0.0686 1.6616 1.6616 1.7176 1.7176 1.8411 1.8411 k = 0.2778 0.4811 0.3083 ( 11972 PWs) bands (ev): -13.4408 -13.4408 -13.4231 -13.4231 -13.3019 -13.3019 -13.2889 -13.2889 -13.2850 -13.2850 -13.2703 -13.2703 -2.9172 -2.9172 -2.8785 -2.8785 -2.6123 -2.6123 -2.4212 -2.4212 -2.3944 -2.3944 -2.2224 -2.2224 -2.1759 -2.1759 -2.1164 -2.1164 -1.9983 -1.9983 -1.9391 -1.9391 -1.7665 -1.7665 -1.5948 -1.5948 -0.8775 -0.8775 -0.6721 -0.6721 -0.5714 -0.5714 -0.5255 -0.5255 -0.4300 -0.4300 -0.4033 -0.4033 -0.1676 -0.1676 0.0091 0.0091 0.0816 0.0816 1.6481 1.6481 1.7090 1.7090 1.8495 1.8495 k = 0.2685 0.4651 0.3083 ( 11980 PWs) bands (ev): -13.4573 -13.4573 -13.4388 -13.4388 -13.2926 -13.2926 -13.2804 -13.2804 -13.2771 -13.2771 -13.2623 -13.2623 -2.9358 -2.9358 -2.8824 -2.8824 -2.6126 -2.6126 -2.4393 -2.4393 -2.4101 -2.4101 -2.2238 -2.2238 -2.1818 -2.1818 -2.1160 -2.1160 -1.9793 -1.9793 -1.9354 -1.9354 -1.7126 -1.7126 -1.5504 -1.5504 -0.8962 -0.8962 -0.7085 -0.7085 -0.5969 -0.5969 -0.5573 -0.5573 -0.4176 -0.4176 -0.3942 -0.3942 -0.1614 -0.1614 0.0150 0.0150 0.0954 0.0954 1.6324 1.6324 1.6997 1.6997 1.8579 1.8579 k = 0.2593 0.4491 0.3083 ( 11980 PWs) bands (ev): -13.4739 -13.4739 -13.4545 -13.4545 -13.2831 -13.2831 -13.2717 -13.2717 -13.2690 -13.2690 -13.2541 -13.2541 -2.9556 -2.9556 -2.8861 -2.8861 -2.6130 -2.6130 -2.4566 -2.4566 -2.4253 -2.4253 -2.2239 -2.2239 -2.1875 -2.1875 -2.1189 -2.1189 -1.9607 -1.9607 -1.9306 -1.9306 -1.6539 -1.6539 -1.5007 -1.5007 -0.9183 -0.9183 -0.7480 -0.7480 -0.6261 -0.6261 -0.5919 -0.5919 -0.4051 -0.4051 -0.3837 -0.3837 -0.1550 -0.1550 0.0221 0.0221 0.1100 0.1100 1.6145 1.6145 1.6895 1.6895 1.8662 1.8662 k = 0.2500 0.4330 0.3083 ( 11974 PWs) bands (ev): -13.4906 -13.4906 -13.4701 -13.4701 -13.2737 -13.2737 -13.2630 -13.2630 -13.2609 -13.2609 -13.2459 -13.2459 -2.9764 -2.9764 -2.8892 -2.8892 -2.6135 -2.6135 -2.4729 -2.4729 -2.4400 -2.4400 -2.2229 -2.2229 -2.1923 -2.1923 -2.1235 -2.1235 -1.9449 -1.9449 -1.9239 -1.9239 -1.5913 -1.5913 -1.4466 -1.4466 -0.9434 -0.9434 -0.7902 -0.7902 -0.6594 -0.6594 -0.6279 -0.6279 -0.3928 -0.3928 -0.3717 -0.3717 -0.1488 -0.1488 0.0306 0.0306 0.1252 0.1252 1.5946 1.5946 1.6780 1.6780 1.8743 1.8743 k = 0.2407 0.4170 0.3083 ( 11972 PWs) bands (ev): -13.5072 -13.5072 -13.4857 -13.4857 -13.2643 -13.2643 -13.2542 -13.2542 -13.2527 -13.2527 -13.2376 -13.2376 -2.9978 -2.9978 -2.8916 -2.8916 -2.6141 -2.6141 -2.4880 -2.4880 -2.4541 -2.4541 -2.2212 -2.2212 -2.1956 -2.1956 -2.1290 -2.1290 -1.9339 -1.9339 -1.9140 -1.9140 -1.5254 -1.5254 -1.3891 -1.3891 -0.9716 -0.9716 -0.8348 -0.8348 -0.6972 -0.6972 -0.6645 -0.6645 -0.3809 -0.3809 -0.3582 -0.3582 -0.1430 -0.1430 0.0406 0.0406 0.1410 0.1410 1.5730 1.5730 1.6650 1.6650 1.8822 1.8822 k = 0.2315 0.4009 0.3083 ( 11966 PWs) bands (ev): -13.5237 -13.5237 -13.5010 -13.5010 -13.2548 -13.2548 -13.2454 -13.2454 -13.2445 -13.2445 -13.2294 -13.2294 -3.0198 -3.0198 -2.8931 -2.8931 -2.6145 -2.6145 -2.5019 -2.5019 -2.4672 -2.4672 -2.2188 -2.2188 -2.1975 -2.1975 -2.1346 -2.1346 -1.9266 -1.9266 -1.9020 -1.9020 -1.4569 -1.4569 -1.3291 -1.3291 -1.0025 -1.0025 -0.8816 -0.8816 -0.7390 -0.7390 -0.7013 -0.7013 -0.3694 -0.3694 -0.3432 -0.3432 -0.1381 -0.1381 0.0523 0.0523 0.1573 0.1573 1.5500 1.5500 1.6502 1.6502 1.8898 1.8898 k = 0.2222 0.3849 0.3083 ( 11980 PWs) bands (ev): -13.5400 -13.5400 -13.5162 -13.5162 -13.2455 -13.2455 -13.2367 -13.2367 -13.2364 -13.2364 -13.2212 -13.2212 -3.0422 -3.0422 -2.8936 -2.8936 -2.6146 -2.6146 -2.5143 -2.5143 -2.4793 -2.4793 -2.2160 -2.2160 -2.1982 -2.1982 -2.1398 -2.1398 -1.9208 -1.9208 -1.8900 -1.8900 -1.3865 -1.3865 -1.2675 -1.2675 -1.0360 -1.0360 -0.9303 -0.9303 -0.7837 -0.7837 -0.7386 -0.7386 -0.3583 -0.3583 -0.3272 -0.3272 -0.1342 -0.1342 0.0657 0.0657 0.1742 0.1742 1.5257 1.5257 1.6331 1.6331 1.8973 1.8973 k = 0.2130 0.3689 0.3083 ( 11972 PWs) bands (ev): -13.5560 -13.5560 -13.5311 -13.5311 -13.2363 -13.2363 -13.2283 -13.2283 -13.2279 -13.2279 -13.2131 -13.2131 -3.0647 -3.0647 -2.8929 -2.8929 -2.6145 -2.6145 -2.5252 -2.5252 -2.4900 -2.4900 -2.2130 -2.2130 -2.1979 -2.1979 -2.1442 -2.1442 -1.9157 -1.9157 -1.8789 -1.8789 -1.3149 -1.3149 -1.2053 -1.2053 -1.0718 -1.0718 -0.9806 -0.9806 -0.8305 -0.8305 -0.7762 -0.7762 -0.3475 -0.3475 -0.3102 -0.3102 -0.1317 -0.1317 0.0811 0.0811 0.1915 0.1915 1.5004 1.5004 1.6137 1.6137 1.9045 1.9045 k = 0.2037 0.3528 0.3083 ( 11984 PWs) bands (ev): -13.5718 -13.5718 -13.5457 -13.5457 -13.2272 -13.2272 -13.2202 -13.2202 -13.2193 -13.2193 -13.2051 -13.2051 -3.0873 -3.0873 -2.8908 -2.8908 -2.6139 -2.6139 -2.5346 -2.5346 -2.4993 -2.4993 -2.2099 -2.2099 -2.1969 -2.1969 -2.1471 -2.1471 -1.9109 -1.9109 -1.8690 -1.8690 -1.2433 -1.2433 -1.1440 -1.1440 -1.1096 -1.1096 -1.0319 -1.0319 -0.8781 -0.8781 -0.8135 -0.8135 -0.3369 -0.3369 -0.2926 -0.2926 -0.1305 -0.1305 0.0985 0.0985 0.2092 0.2092 1.4742 1.4742 1.5918 1.5918 1.9114 1.9114 k = 0.1944 0.3368 0.3083 ( 11988 PWs) bands (ev): -13.5873 -13.5873 -13.5600 -13.5600 -13.2183 -13.2183 -13.2122 -13.2122 -13.2107 -13.2107 -13.1972 -13.1972 -3.1098 -3.1098 -2.8873 -2.8873 -2.6128 -2.6128 -2.5423 -2.5423 -2.5068 -2.5068 -2.2073 -2.2073 -2.1954 -2.1954 -2.1483 -2.1483 -1.9063 -1.9063 -1.8602 -1.8602 -1.1742 -1.1742 -1.1487 -1.1487 -1.0941 -1.0941 -1.0762 -1.0762 -0.9245 -0.9245 -0.8484 -0.8484 -0.3264 -0.3264 -0.2745 -0.2745 -0.1306 -0.1306 0.1178 0.1178 0.2275 0.2275 1.4472 1.4472 1.5674 1.5674 1.9181 1.9181 k = 0.1852 0.3208 0.3083 ( 11976 PWs) bands (ev): -13.6023 -13.6023 -13.5739 -13.5739 -13.2097 -13.2097 -13.2044 -13.2044 -13.2023 -13.2023 -13.1895 -13.1895 -3.1322 -3.1322 -2.8822 -2.8822 -2.6111 -2.6111 -2.5484 -2.5484 -2.5125 -2.5125 -2.2059 -2.2059 -2.1929 -2.1929 -2.1473 -2.1473 -1.9021 -1.9021 -1.8526 -1.8526 -1.1914 -1.1914 -1.1411 -1.1411 -1.1086 -1.1086 -1.0401 -1.0401 -0.9605 -0.9605 -0.8740 -0.8740 -0.3162 -0.3162 -0.2561 -0.2561 -0.1319 -0.1319 0.1390 0.1390 0.2462 0.2462 1.4197 1.4197 1.5404 1.5404 1.9244 1.9244 k = 0.1759 0.3047 0.3083 ( 11982 PWs) bands (ev): -13.6170 -13.6170 -13.5873 -13.5873 -13.2012 -13.2012 -13.1968 -13.1968 -13.1940 -13.1940 -13.1820 -13.1820 -3.1544 -3.1544 -2.8754 -2.8754 -2.6087 -2.6087 -2.5527 -2.5527 -2.5163 -2.5163 -2.2062 -2.2062 -2.1893 -2.1893 -2.1442 -2.1442 -1.8982 -1.8982 -1.8460 -1.8460 -1.2341 -1.2341 -1.1943 -1.1943 -1.0792 -1.0792 -1.0362 -1.0362 -0.9537 -0.9537 -0.8721 -0.8721 -0.3061 -0.3061 -0.2375 -0.2375 -0.1342 -0.1342 0.1619 0.1619 0.2653 0.2653 1.3916 1.3916 1.5111 1.5111 1.9303 1.9303 k = 0.1667 0.2887 0.3083 ( 11982 PWs) bands (ev): -13.6311 -13.6311 -13.6004 -13.6004 -13.1931 -13.1931 -13.1893 -13.1893 -13.1859 -13.1859 -13.1747 -13.1747 -3.1762 -3.1762 -2.8669 -2.8669 -2.6055 -2.6055 -2.5554 -2.5554 -2.5181 -2.5181 -2.2077 -2.2077 -2.1848 -2.1848 -2.1392 -2.1392 -1.8949 -1.8949 -1.8404 -1.8404 -1.2785 -1.2785 -1.2482 -1.2482 -1.1100 -1.1100 -1.0500 -1.0500 -0.9072 -0.9072 -0.8336 -0.8336 -0.2962 -0.2962 -0.2190 -0.2190 -0.1373 -0.1373 0.1864 0.1864 0.2850 0.2850 1.3632 1.3632 1.4797 1.4797 1.9356 1.9356 k = 0.1574 0.2726 0.3083 ( 11992 PWs) bands (ev): -13.6447 -13.6447 -13.6129 -13.6129 -13.1852 -13.1852 -13.1820 -13.1820 -13.1780 -13.1780 -13.1676 -13.1676 -3.1975 -3.1975 -2.8567 -2.8567 -2.6015 -2.6015 -2.5564 -2.5564 -2.5180 -2.5180 -2.2098 -2.2098 -2.1799 -2.1799 -2.1327 -2.1327 -1.8922 -1.8922 -1.8357 -1.8357 -1.3246 -1.3246 -1.3012 -1.3012 -1.1581 -1.1581 -1.0822 -1.0822 -0.8443 -0.8443 -0.7784 -0.7784 -0.2866 -0.2866 -0.2008 -0.2008 -0.1409 -0.1409 0.2124 0.2124 0.3051 0.3051 1.3344 1.3344 1.4465 1.4465 1.9405 1.9405 k = 0.1481 0.2566 0.3083 ( 11988 PWs) bands (ev): -13.6578 -13.6578 -13.6249 -13.6249 -13.1776 -13.1776 -13.1750 -13.1750 -13.1703 -13.1703 -13.1608 -13.1608 -3.2182 -3.2182 -2.8446 -2.8446 -2.5964 -2.5964 -2.5557 -2.5557 -2.5160 -2.5160 -2.2120 -2.2120 -2.1748 -2.1748 -2.1248 -2.1248 -1.8903 -1.8903 -1.8319 -1.8319 -1.3733 -1.3733 -1.3520 -1.3520 -1.2095 -1.2095 -1.1228 -1.1228 -0.7780 -0.7780 -0.7180 -0.7180 -0.2771 -0.2771 -0.1835 -0.1835 -0.1443 -0.1443 0.2396 0.2396 0.3256 0.3256 1.3053 1.3053 1.4116 1.4116 1.9448 1.9448 k = 0.1389 0.2406 0.3083 ( 11988 PWs) bands (ev): -13.6702 -13.6702 -13.6363 -13.6363 -13.1704 -13.1704 -13.1683 -13.1683 -13.1629 -13.1629 -13.1544 -13.1544 -3.2383 -3.2383 -2.8307 -2.8307 -2.5903 -2.5903 -2.5533 -2.5533 -2.5124 -2.5124 -2.2141 -2.2141 -2.1697 -2.1697 -2.1158 -2.1158 -1.8895 -1.8895 -1.8289 -1.8289 -1.4243 -1.4243 -1.3999 -1.3999 -1.2617 -1.2617 -1.1668 -1.1668 -0.7125 -0.7125 -0.6559 -0.6559 -0.2680 -0.2680 -0.1691 -0.1691 -0.1454 -0.1454 0.2679 0.2679 0.3467 0.3467 1.2760 1.2760 1.3754 1.3754 1.9484 1.9484 k = 0.1296 0.2245 0.3083 ( 11988 PWs) bands (ev): -13.6820 -13.6820 -13.6471 -13.6471 -13.1636 -13.1636 -13.1618 -13.1618 -13.1559 -13.1559 -13.1482 -13.1482 -3.2576 -3.2576 -2.8149 -2.8149 -2.5831 -2.5831 -2.5493 -2.5493 -2.5072 -2.5072 -2.2158 -2.2158 -2.1647 -2.1647 -2.1060 -2.1060 -1.8901 -1.8901 -1.8266 -1.8266 -1.4762 -1.4762 -1.4459 -1.4459 -1.3140 -1.3140 -1.2122 -1.2122 -0.6496 -0.6496 -0.5934 -0.5934 -0.2591 -0.2591 -0.1639 -0.1639 -0.1378 -0.1378 0.2972 0.2972 0.3682 0.3682 1.2465 1.2465 1.3382 1.3382 1.9515 1.9515 k = 0.1204 0.2085 0.3083 ( 12016 PWs) bands (ev): -13.6931 -13.6931 -13.6573 -13.6573 -13.1571 -13.1571 -13.1557 -13.1557 -13.1492 -13.1492 -13.1424 -13.1424 -3.2761 -3.2761 -2.7973 -2.7973 -2.5747 -2.5747 -2.5437 -2.5437 -2.5007 -2.5007 -2.2169 -2.2169 -2.1599 -2.1599 -2.0954 -2.0954 -1.8925 -1.8925 -1.8250 -1.8250 -1.5272 -1.5272 -1.4905 -1.4905 -1.3660 -1.3660 -1.2583 -1.2583 -0.5903 -0.5903 -0.5313 -0.5313 -0.2506 -0.2506 -0.1659 -0.1659 -0.1232 -0.1232 0.3271 0.3271 0.3902 0.3902 1.2167 1.2167 1.3004 1.3004 1.9539 1.9539 k = 0.1111 0.1925 0.3083 ( 12012 PWs) bands (ev): -13.7035 -13.7035 -13.6669 -13.6669 -13.1510 -13.1510 -13.1499 -13.1499 -13.1428 -13.1428 -13.1369 -13.1369 -3.2936 -3.2936 -2.7779 -2.7779 -2.5652 -2.5652 -2.5367 -2.5367 -2.4932 -2.4932 -2.2174 -2.2174 -2.1554 -2.1554 -2.0843 -2.0843 -1.8974 -1.8974 -1.8238 -1.8238 -1.5762 -1.5762 -1.5338 -1.5338 -1.4172 -1.4172 -1.3043 -1.3043 -0.5348 -0.5348 -0.4706 -0.4706 -0.2425 -0.2425 -0.1694 -0.1694 -0.1073 -0.1073 0.3576 0.3576 0.4128 0.4128 1.1868 1.1868 1.2621 1.2621 1.9558 1.9559 k = 0.1019 0.1764 0.3083 ( 12018 PWs) bands (ev): -13.7132 -13.7132 -13.6758 -13.6758 -13.1454 -13.1454 -13.1445 -13.1445 -13.1369 -13.1369 -13.1318 -13.1318 -3.3101 -3.3101 -2.7567 -2.7567 -2.5546 -2.5546 -2.5282 -2.5282 -2.4848 -2.4848 -2.2171 -2.2171 -2.1512 -2.1512 -2.0728 -2.0728 -1.9055 -1.9055 -1.8230 -1.8230 -1.6218 -1.6218 -1.5759 -1.5759 -1.4674 -1.4674 -1.3500 -1.3500 -0.4834 -0.4834 -0.4123 -0.4123 -0.2347 -0.2347 -0.1725 -0.1725 -0.0914 -0.0914 0.3884 0.3884 0.4358 0.4358 1.1566 1.1566 1.2238 1.2238 1.9572 1.9572 k = 0.0926 0.1604 0.3083 ( 11996 PWs) bands (ev): -13.7222 -13.7222 -13.6840 -13.6840 -13.1402 -13.1402 -13.1395 -13.1395 -13.1314 -13.1314 -13.1271 -13.1271 -3.3254 -3.3254 -2.7338 -2.7338 -2.5432 -2.5432 -2.5184 -2.5184 -2.4760 -2.4760 -2.2159 -2.2159 -2.1474 -2.1474 -2.0610 -2.0610 -1.9181 -1.9181 -1.8224 -1.8224 -1.6626 -1.6626 -1.6162 -1.6162 -1.5164 -1.5164 -1.3949 -1.3949 -0.4362 -0.4362 -0.3580 -0.3580 -0.2272 -0.2272 -0.1745 -0.1745 -0.0760 -0.0760 0.4192 0.4192 0.4594 0.4594 1.1263 1.1263 1.1857 1.1857 1.9582 1.9582 k = 0.0833 0.1443 0.3083 ( 11988 PWs) bands (ev): -13.7303 -13.7303 -13.6915 -13.6915 -13.1354 -13.1354 -13.1348 -13.1348 -13.1264 -13.1264 -13.1227 -13.1227 -3.3395 -3.3395 -2.7094 -2.7094 -2.5311 -2.5311 -2.5074 -2.5074 -2.4669 -2.4669 -2.2138 -2.2138 -2.1439 -2.1439 -2.0490 -2.0490 -1.9360 -1.9360 -1.8218 -1.8218 -1.6976 -1.6976 -1.6544 -1.6544 -1.5638 -1.5638 -1.4387 -1.4387 -0.3934 -0.3934 -0.3096 -0.3096 -0.2193 -0.2193 -0.1743 -0.1743 -0.0611 -0.0611 0.4498 0.4498 0.4836 0.4836 1.0958 1.0958 1.1483 1.1483 1.9587 1.9587 k = 0.0741 0.1283 0.3083 ( 12000 PWs) bands (ev): -13.7377 -13.7377 -13.6982 -13.6982 -13.1311 -13.1311 -13.1306 -13.1306 -13.1218 -13.1218 -13.1189 -13.1189 -3.3523 -3.3523 -2.6837 -2.6837 -2.5186 -2.5186 -2.4955 -2.4955 -2.4579 -2.4579 -2.2108 -2.2108 -2.1409 -2.1409 -2.0371 -2.0371 -1.9597 -1.9597 -1.8210 -1.8210 -1.7262 -1.7262 -1.6896 -1.6896 -1.6093 -1.6093 -1.4812 -1.4812 -0.3555 -0.3555 -0.2707 -0.2707 -0.2097 -0.2097 -0.1702 -0.1702 -0.0468 -0.0468 0.4798 0.4798 0.5085 0.5085 1.0651 1.0651 1.1119 1.1119 1.9589 1.9589 k = 0.0648 0.1123 0.3083 ( 11992 PWs) bands (ev): -13.7442 -13.7442 -13.7042 -13.7042 -13.1272 -13.1272 -13.1269 -13.1269 -13.1177 -13.1177 -13.1154 -13.1154 -3.3638 -3.3638 -2.6569 -2.6569 -2.5061 -2.5061 -2.4829 -2.4829 -2.4492 -2.4492 -2.2070 -2.2070 -2.1384 -2.1384 -2.0263 -2.0263 -1.9875 -1.9875 -1.8196 -1.8196 -1.7502 -1.7502 -1.7201 -1.7201 -1.6526 -1.6526 -1.5219 -1.5219 -0.3231 -0.3231 -0.2456 -0.2456 -0.1979 -0.1979 -0.1584 -0.1584 -0.0329 -0.0329 0.5087 0.5087 0.5341 0.5341 1.0342 1.0342 1.0771 1.0771 1.9587 1.9587 k = 0.0556 0.0962 0.3083 ( 11988 PWs) bands (ev): -13.7499 -13.7499 -13.7094 -13.7094 -13.1239 -13.1239 -13.1236 -13.1236 -13.1142 -13.1142 -13.1124 -13.1124 -3.3739 -3.3739 -2.6294 -2.6294 -2.4939 -2.4939 -2.4700 -2.4700 -2.4411 -2.4411 -2.2027 -2.2027 -2.1365 -2.1365 -2.0301 -2.0301 -2.0041 -2.0041 -1.8173 -1.8173 -1.7731 -1.7731 -1.7431 -1.7431 -1.6929 -1.6929 -1.5606 -1.5606 -0.2973 -0.2973 -0.2318 -0.2318 -0.1880 -0.1880 -0.1374 -0.1374 -0.0193 -0.0193 0.5360 0.5360 0.5605 0.5605 1.0031 1.0031 1.0443 1.0443 1.9584 1.9584 k = 0.0463 0.0802 0.3083 ( 11996 PWs) bands (ev): -13.7547 -13.7547 -13.7139 -13.7139 -13.1210 -13.1210 -13.1208 -13.1208 -13.1112 -13.1112 -13.1098 -13.1098 -3.3825 -3.3825 -2.6019 -2.6019 -2.4825 -2.4825 -2.4573 -2.4573 -2.4338 -2.4338 -2.1983 -2.1983 -2.1353 -2.1353 -2.0603 -2.0603 -1.9951 -1.9951 -1.8146 -1.8146 -1.7961 -1.7961 -1.7592 -1.7592 -1.7286 -1.7286 -1.5968 -1.5968 -0.2792 -0.2792 -0.2217 -0.2217 -0.1806 -0.1806 -0.1137 -0.1137 -0.0060 -0.0060 0.5613 0.5613 0.5873 0.5873 0.9721 0.9721 1.0143 1.0143 1.9578 1.9579 k = 0.0370 0.0642 0.3083 ( 11996 PWs) bands (ev): -13.7587 -13.7587 -13.7175 -13.7175 -13.1187 -13.1187 -13.1184 -13.1184 -13.1087 -13.1087 -13.1076 -13.1076 -3.3896 -3.3896 -2.5752 -2.5752 -2.4723 -2.4723 -2.4456 -2.4456 -2.4273 -2.4273 -2.1944 -2.1944 -2.1351 -2.1351 -2.0922 -2.0922 -1.9823 -1.9823 -1.8214 -1.8214 -1.8080 -1.8080 -1.7762 -1.7762 -1.7533 -1.7533 -1.6302 -1.6302 -0.2685 -0.2685 -0.2122 -0.2122 -0.1739 -0.1739 -0.0929 -0.0929 0.0067 0.0067 0.5841 0.5841 0.6138 0.6138 0.9420 0.9420 0.9875 0.9875 1.9573 1.9573 k = 0.0278 0.0481 0.3083 ( 11990 PWs) bands (ev): -13.7618 -13.7618 -13.7204 -13.7204 -13.1168 -13.1168 -13.1166 -13.1166 -13.1068 -13.1068 -13.1059 -13.1059 -3.3951 -3.3951 -2.5506 -2.5506 -2.4637 -2.4637 -2.4355 -2.4355 -2.4216 -2.4216 -2.1921 -2.1921 -2.1382 -2.1382 -2.1179 -2.1179 -1.9683 -1.9683 -1.8393 -1.8393 -1.8151 -1.8151 -1.7893 -1.7893 -1.7633 -1.7633 -1.6603 -1.6603 -0.2631 -0.2631 -0.2041 -0.2041 -0.1673 -0.1673 -0.0770 -0.0770 0.0183 0.0183 0.6038 0.6038 0.6390 0.6390 0.9139 0.9139 0.9647 0.9647 1.9567 1.9567 k = 0.0185 0.0321 0.3083 ( 11990 PWs) bands (ev): -13.7641 -13.7641 -13.7224 -13.7224 -13.1155 -13.1155 -13.1153 -13.1153 -13.1055 -13.1055 -13.1047 -13.1047 -3.3991 -3.3991 -2.5302 -2.5302 -2.4573 -2.4573 -2.4279 -2.4279 -2.4169 -2.4169 -2.1929 -2.1929 -2.1503 -2.1503 -2.1273 -2.1273 -1.9539 -1.9539 -1.8544 -1.8544 -1.8361 -1.8361 -1.7845 -1.7845 -1.7674 -1.7674 -1.6863 -1.6863 -0.2605 -0.2605 -0.1984 -0.1984 -0.1614 -0.1614 -0.0661 -0.0661 0.0276 0.0276 0.6195 0.6195 0.6609 0.6609 0.8898 0.8898 0.9469 0.9469 1.9563 1.9563 k = 0.0093 0.0160 0.3083 ( 11982 PWs) bands (ev): -13.7654 -13.7654 -13.7237 -13.7237 -13.1147 -13.1147 -13.1145 -13.1145 -13.1047 -13.1047 -13.1039 -13.1039 -3.4015 -3.4015 -2.5164 -2.5164 -2.4532 -2.4532 -2.4231 -2.4231 -2.4136 -2.4136 -2.1970 -2.1970 -2.1600 -2.1600 -2.1288 -2.1288 -1.9407 -1.9407 -1.8670 -1.8670 -1.8523 -1.8523 -1.7770 -1.7770 -1.7682 -1.7682 -1.7060 -1.7060 -0.2594 -0.2594 -0.1951 -0.1951 -0.1573 -0.1573 -0.0598 -0.0598 0.0337 0.0337 0.6298 0.6298 0.6767 0.6767 0.8726 0.8726 0.9354 0.9354 1.9560 1.9560 k = 0.0000 0.0000 0.3083 ( 11970 PWs) bands (ev): -13.7658 -13.7658 -13.7241 -13.7241 -13.1145 -13.1145 -13.1142 -13.1142 -13.1044 -13.1044 -13.1036 -13.1036 -3.4023 -3.4023 -2.5115 -2.5115 -2.4519 -2.4519 -2.4216 -2.4216 -2.4124 -2.4124 -2.1995 -2.1995 -2.1626 -2.1626 -2.1291 -2.1291 -1.9344 -1.9344 -1.8737 -1.8737 -1.8573 -1.8573 -1.7745 -1.7745 -1.7666 -1.7666 -1.7143 -1.7143 -0.2591 -0.2591 -0.1941 -0.1941 -0.1558 -0.1558 -0.0578 -0.0578 0.0358 0.0358 0.6333 0.6333 0.6826 0.6826 0.8662 0.8662 0.9314 0.9314 1.9559 1.9559 k = 0.5000 0.2887 0.3083 ( 11984 PWs) bands (ev): -13.4351 -13.4351 -13.4091 -13.4091 -13.3967 -13.3967 -13.3956 -13.3956 -13.1935 -13.1935 -13.1734 -13.1734 -3.1127 -3.1127 -2.8882 -2.8882 -2.7799 -2.7799 -2.4439 -2.4439 -2.3615 -2.3615 -2.1726 -2.1726 -2.1624 -2.1624 -1.9388 -1.9388 -1.8557 -1.8557 -1.7571 -1.7571 -1.6375 -1.6375 -1.5078 -1.5078 -0.8775 -0.8775 -0.8142 -0.8142 -0.7247 -0.7247 -0.5812 -0.5812 -0.5588 -0.5588 -0.5067 -0.5067 -0.1917 -0.1917 0.0465 0.0465 0.1470 0.1470 1.5005 1.5005 1.8081 1.8081 1.9218 1.9218 k = 0.5000 0.2887 0.2901 ( 11982 PWs) bands (ev): -13.4351 -13.4351 -13.4091 -13.4091 -13.3968 -13.3968 -13.3955 -13.3955 -13.1935 -13.1935 -13.1735 -13.1735 -3.1128 -3.1128 -2.8884 -2.8884 -2.7798 -2.7798 -2.4439 -2.4439 -2.3612 -2.3612 -2.1728 -2.1728 -2.1622 -2.1622 -1.9389 -1.9389 -1.8560 -1.8560 -1.7569 -1.7569 -1.6376 -1.6376 -1.5079 -1.5079 -0.8774 -0.8774 -0.8142 -0.8142 -0.7246 -0.7246 -0.5812 -0.5812 -0.5588 -0.5588 -0.5067 -0.5067 -0.1916 -0.1916 0.0463 0.0463 0.1471 0.1471 1.5004 1.5004 1.8081 1.8081 1.9220 1.9220 k = 0.5000 0.2887 0.2720 ( 11956 PWs) bands (ev): -13.4352 -13.4352 -13.4090 -13.4090 -13.3969 -13.3969 -13.3954 -13.3954 -13.1934 -13.1934 -13.1735 -13.1735 -3.1129 -3.1129 -2.8890 -2.8890 -2.7794 -2.7794 -2.4437 -2.4437 -2.3602 -2.3602 -2.1732 -2.1732 -2.1617 -2.1617 -1.9392 -1.9392 -1.8568 -1.8568 -1.7560 -1.7560 -1.6378 -1.6378 -1.5084 -1.5084 -0.8771 -0.8771 -0.8143 -0.8143 -0.7245 -0.7245 -0.5813 -0.5813 -0.5589 -0.5589 -0.5065 -0.5065 -0.1916 -0.1916 0.0456 0.0456 0.1475 0.1475 1.5001 1.5001 1.8081 1.8081 1.9224 1.9225 k = 0.5000 0.2887 0.2539 ( 11970 PWs) bands (ev): -13.4353 -13.4353 -13.4088 -13.4088 -13.3971 -13.3971 -13.3952 -13.3952 -13.1934 -13.1934 -13.1735 -13.1735 -3.1132 -3.1132 -2.8899 -2.8899 -2.7788 -2.7788 -2.4435 -2.4435 -2.3586 -2.3586 -2.1742 -2.1742 -2.1606 -2.1606 -1.9398 -1.9398 -1.8582 -1.8582 -1.7547 -1.7547 -1.6382 -1.6382 -1.5091 -1.5091 -0.8768 -0.8768 -0.8144 -0.8144 -0.7243 -0.7243 -0.5814 -0.5814 -0.5592 -0.5592 -0.5063 -0.5063 -0.1915 -0.1915 0.0446 0.0446 0.1480 0.1480 1.4996 1.4996 1.8081 1.8081 1.9232 1.9232 k = 0.5000 0.2887 0.2357 ( 11966 PWs) bands (ev): -13.4355 -13.4355 -13.4086 -13.4086 -13.3973 -13.3973 -13.3951 -13.3951 -13.1933 -13.1933 -13.1736 -13.1736 -3.1136 -3.1136 -2.8911 -2.8911 -2.7780 -2.7780 -2.4432 -2.4432 -2.3565 -2.3565 -2.1757 -2.1757 -2.1590 -2.1590 -1.9405 -1.9405 -1.8600 -1.8600 -1.7530 -1.7530 -1.6387 -1.6387 -1.5101 -1.5101 -0.8763 -0.8763 -0.8145 -0.8145 -0.7240 -0.7240 -0.5816 -0.5816 -0.5594 -0.5594 -0.5060 -0.5060 -0.1913 -0.1913 0.0432 0.0432 0.1487 0.1487 1.4989 1.4989 1.8081 1.8081 1.9241 1.9241 k = 0.5000 0.2887 0.2176 ( 11972 PWs) bands (ev): -13.4358 -13.4358 -13.4084 -13.4084 -13.3975 -13.3975 -13.3949 -13.3949 -13.1932 -13.1932 -13.1737 -13.1737 -3.1140 -3.1140 -2.8926 -2.8926 -2.7771 -2.7771 -2.4428 -2.4428 -2.3538 -2.3538 -2.1777 -2.1777 -2.1569 -2.1569 -1.9414 -1.9414 -1.8621 -1.8621 -1.7509 -1.7509 -1.6393 -1.6393 -1.5113 -1.5113 -0.8757 -0.8757 -0.8147 -0.8147 -0.7236 -0.7236 -0.5818 -0.5818 -0.5597 -0.5597 -0.5056 -0.5056 -0.1911 -0.1911 0.0414 0.0414 0.1496 0.1496 1.4980 1.4980 1.8081 1.8081 1.9253 1.9253 k = 0.5000 0.2887 0.1995 ( 11976 PWs) bands (ev): -13.4360 -13.4360 -13.4081 -13.4081 -13.3977 -13.3977 -13.3947 -13.3947 -13.1931 -13.1931 -13.1738 -13.1738 -3.1145 -3.1145 -2.8943 -2.8943 -2.7760 -2.7760 -2.4424 -2.4424 -2.3506 -2.3506 -2.1803 -2.1803 -2.1544 -2.1544 -1.9425 -1.9425 -1.8646 -1.8646 -1.7485 -1.7485 -1.6399 -1.6399 -1.5127 -1.5127 -0.8749 -0.8749 -0.8149 -0.8149 -0.7232 -0.7232 -0.5820 -0.5820 -0.5601 -0.5601 -0.5051 -0.5051 -0.1909 -0.1909 0.0394 0.0394 0.1507 0.1507 1.4970 1.4970 1.8081 1.8081 1.9266 1.9267 k = 0.5000 0.2887 0.1813 ( 11986 PWs) bands (ev): -13.4363 -13.4363 -13.4078 -13.4078 -13.3978 -13.3978 -13.3945 -13.3945 -13.1930 -13.1930 -13.1739 -13.1739 -3.1151 -3.1151 -2.8961 -2.8961 -2.7748 -2.7748 -2.4419 -2.4419 -2.3469 -2.3469 -2.1834 -2.1834 -2.1515 -2.1515 -1.9437 -1.9437 -1.8672 -1.8672 -1.7460 -1.7460 -1.6406 -1.6406 -1.5143 -1.5143 -0.8741 -0.8741 -0.8150 -0.8150 -0.7227 -0.7227 -0.5823 -0.5823 -0.5605 -0.5605 -0.5047 -0.5047 -0.1907 -0.1907 0.0372 0.0372 0.1518 0.1518 1.4959 1.4959 1.8081 1.8081 1.9280 1.9280 k = 0.5000 0.2887 0.1632 ( 11982 PWs) bands (ev): -13.4366 -13.4366 -13.4075 -13.4075 -13.3980 -13.3980 -13.3943 -13.3943 -13.1929 -13.1929 -13.1740 -13.1740 -3.1157 -3.1157 -2.8980 -2.8980 -2.7735 -2.7735 -2.4413 -2.4413 -2.3429 -2.3429 -2.1868 -2.1868 -2.1484 -2.1484 -1.9449 -1.9449 -1.8699 -1.8699 -1.7435 -1.7435 -1.6414 -1.6414 -1.5159 -1.5159 -0.8733 -0.8733 -0.8153 -0.8153 -0.7222 -0.7222 -0.5826 -0.5826 -0.5609 -0.5609 -0.5042 -0.5042 -0.1905 -0.1905 0.0348 0.0348 0.1530 0.1530 1.4948 1.4948 1.8081 1.8081 1.9293 1.9294 k = 0.5000 0.2887 0.1451 ( 11980 PWs) bands (ev): -13.4369 -13.4369 -13.4072 -13.4072 -13.3982 -13.3982 -13.3942 -13.3942 -13.1928 -13.1928 -13.1741 -13.1741 -3.1163 -3.1163 -2.9000 -2.9000 -2.7721 -2.7721 -2.4408 -2.4408 -2.3386 -2.3386 -2.1906 -2.1906 -2.1452 -2.1452 -1.9462 -1.9462 -1.8726 -1.8726 -1.7410 -1.7410 -1.6421 -1.6421 -1.5176 -1.5176 -0.8724 -0.8724 -0.8155 -0.8155 -0.7217 -0.7217 -0.5829 -0.5829 -0.5614 -0.5614 -0.5037 -0.5037 -0.1903 -0.1903 0.0324 0.0324 0.1543 0.1543 1.4936 1.4936 1.8081 1.8081 1.9307 1.9308 k = 0.5000 0.2887 0.1269 ( 11990 PWs) bands (ev): -13.4372 -13.4372 -13.4070 -13.4070 -13.3983 -13.3983 -13.3940 -13.3940 -13.1927 -13.1927 -13.1742 -13.1742 -3.1168 -3.1168 -2.9019 -2.9019 -2.7709 -2.7709 -2.4402 -2.4402 -2.3342 -2.3342 -2.1946 -2.1946 -2.1420 -2.1420 -1.9474 -1.9474 -1.8753 -1.8753 -1.7386 -1.7386 -1.6428 -1.6428 -1.5192 -1.5192 -0.8716 -0.8716 -0.8157 -0.8157 -0.7211 -0.7211 -0.5832 -0.5832 -0.5618 -0.5618 -0.5032 -0.5032 -0.1900 -0.1900 0.0300 0.0300 0.1555 0.1555 1.4925 1.4925 1.8081 1.8081 1.9321 1.9321 k = 0.5000 0.2887 0.1088 ( 11992 PWs) bands (ev): -13.4375 -13.4375 -13.4067 -13.4067 -13.3984 -13.3984 -13.3939 -13.3939 -13.1926 -13.1926 -13.1744 -13.1744 -3.1174 -3.1174 -2.9037 -2.9037 -2.7696 -2.7696 -2.4397 -2.4397 -2.3297 -2.3297 -2.1986 -2.1986 -2.1389 -2.1389 -1.9486 -1.9486 -1.8777 -1.8777 -1.7363 -1.7363 -1.6434 -1.6434 -1.5208 -1.5208 -0.8708 -0.8708 -0.8159 -0.8159 -0.7207 -0.7207 -0.5835 -0.5835 -0.5622 -0.5622 -0.5027 -0.5027 -0.1898 -0.1898 0.0278 0.0278 0.1566 0.1566 1.4914 1.4914 1.8081 1.8081 1.9333 1.9334 k = 0.5000 0.2887 0.0907 ( 12004 PWs) bands (ev): -13.4377 -13.4377 -13.4065 -13.4065 -13.3986 -13.3986 -13.3938 -13.3938 -13.1925 -13.1925 -13.1745 -13.1745 -3.1179 -3.1179 -2.9053 -2.9053 -2.7685 -2.7685 -2.4393 -2.4393 -2.3253 -2.3253 -2.2026 -2.2026 -2.1361 -2.1361 -1.9497 -1.9497 -1.8800 -1.8800 -1.7343 -1.7343 -1.6440 -1.6440 -1.5222 -1.5222 -0.8700 -0.8700 -0.8161 -0.8161 -0.7202 -0.7202 -0.5837 -0.5837 -0.5625 -0.5625 -0.5023 -0.5023 -0.1896 -0.1896 0.0257 0.0257 0.1577 0.1577 1.4905 1.4905 1.8081 1.8081 1.9345 1.9346 k = 0.5000 0.2887 0.0725 ( 12018 PWs) bands (ev): -13.4379 -13.4379 -13.4063 -13.4063 -13.3986 -13.3986 -13.3937 -13.3937 -13.1924 -13.1924 -13.1746 -13.1746 -3.1183 -3.1183 -2.9068 -2.9068 -2.7675 -2.7675 -2.4389 -2.4389 -2.3213 -2.3213 -2.2063 -2.2063 -2.1336 -2.1336 -1.9506 -1.9506 -1.8819 -1.8819 -1.7326 -1.7326 -1.6445 -1.6445 -1.5234 -1.5234 -0.8693 -0.8693 -0.8162 -0.8162 -0.7198 -0.7198 -0.5840 -0.5840 -0.5628 -0.5628 -0.5019 -0.5019 -0.1894 -0.1894 0.0238 0.0238 0.1586 0.1586 1.4896 1.4896 1.8081 1.8081 1.9355 1.9355 k = 0.5000 0.2887 0.0544 ( 12012 PWs) bands (ev): -13.4381 -13.4381 -13.4061 -13.4061 -13.3987 -13.3987 -13.3936 -13.3936 -13.1923 -13.1923 -13.1746 -13.1746 -3.1187 -3.1187 -2.9079 -2.9079 -2.7667 -2.7667 -2.4385 -2.4385 -2.3178 -2.3178 -2.2095 -2.2095 -2.1316 -2.1316 -1.9514 -1.9514 -1.8835 -1.8835 -1.7312 -1.7312 -1.6449 -1.6449 -1.5244 -1.5244 -0.8688 -0.8688 -0.8164 -0.8164 -0.7195 -0.7195 -0.5842 -0.5842 -0.5631 -0.5631 -0.5016 -0.5016 -0.1893 -0.1893 0.0223 0.0223 0.1593 0.1593 1.4890 1.4890 1.8081 1.8081 1.9362 1.9363 k = 0.5000 0.2887 0.0363 ( 12016 PWs) bands (ev): -13.4382 -13.4382 -13.4060 -13.4060 -13.3988 -13.3988 -13.3935 -13.3935 -13.1922 -13.1922 -13.1747 -13.1747 -3.1189 -3.1189 -2.9087 -2.9087 -2.7661 -2.7661 -2.4383 -2.4383 -2.3151 -2.3151 -2.2121 -2.2121 -2.1301 -2.1301 -1.9520 -1.9520 -1.8847 -1.8847 -1.7302 -1.7302 -1.6451 -1.6451 -1.5252 -1.5252 -0.8684 -0.8684 -0.8165 -0.8165 -0.7193 -0.7193 -0.5843 -0.5843 -0.5633 -0.5633 -0.5014 -0.5014 -0.1892 -0.1892 0.0212 0.0212 0.1599 0.1599 1.4885 1.4885 1.8081 1.8081 1.9368 1.9369 k = 0.5000 0.2887 0.0181 ( 12028 PWs) bands (ev): -13.4383 -13.4383 -13.4059 -13.4059 -13.3988 -13.3988 -13.3935 -13.3935 -13.1922 -13.1922 -13.1747 -13.1747 -3.1191 -3.1191 -2.9093 -2.9093 -2.7657 -2.7657 -2.4381 -2.4381 -2.3133 -2.3133 -2.2137 -2.2137 -2.1292 -2.1292 -1.9524 -1.9524 -1.8854 -1.8854 -1.7296 -1.7296 -1.6453 -1.6453 -1.5256 -1.5256 -0.8682 -0.8682 -0.8165 -0.8165 -0.7191 -0.7191 -0.5844 -0.5844 -0.5634 -0.5634 -0.5012 -0.5012 -0.1891 -0.1891 0.0205 0.0205 0.1602 0.1602 1.4882 1.4882 1.8082 1.8082 1.9372 1.9372 k = 0.5000 0.2887-0.0000 ( 12026 PWs) bands (ev): -13.4383 -13.4383 -13.4059 -13.4059 -13.3988 -13.3988 -13.3935 -13.3935 -13.1922 -13.1922 -13.1747 -13.1747 -3.1192 -3.1192 -2.9094 -2.9094 -2.7656 -2.7656 -2.4381 -2.4381 -2.3127 -2.3127 -2.2143 -2.2143 -2.1289 -2.1289 -1.9525 -1.9525 -1.8857 -1.8857 -1.7294 -1.7294 -1.6454 -1.6454 -1.5258 -1.5258 -0.8681 -0.8681 -0.8166 -0.8166 -0.7191 -0.7191 -0.5844 -0.5844 -0.5634 -0.5634 -0.5012 -0.5012 -0.1891 -0.1891 0.0203 0.0203 0.1603 0.1603 1.4881 1.4881 1.8082 1.8082 1.9373 1.9373 k = 0.3333 0.5774-0.0000 ( 11961 PWs) bands (ev): -13.3571 -13.3571 -13.3567 -13.3567 -13.3349 -13.3349 -13.3348 -13.3348 -13.3220 -13.3220 -13.3091 -13.3091 -2.8622 -2.8622 -2.8598 -2.8598 -2.5895 -2.5895 -2.3207 -2.3207 -2.3092 -2.3092 -2.2857 -2.2857 -2.1664 -2.1664 -2.1568 -2.1568 -2.0354 -2.0354 -1.9461 -1.9461 -1.9372 -1.9372 -1.7371 -1.7371 -0.8276 -0.8276 -0.5556 -0.5556 -0.4871 -0.4871 -0.4735 -0.4735 -0.4377 -0.4377 -0.4331 -0.4331 -0.1735 -0.1735 -0.0109 -0.0109 0.0205 0.0205 1.6933 1.6933 1.7318 1.7318 1.8349 1.8349 k = 0.3333 0.5774 0.0181 ( 11934 PWs) bands (ev): -13.3570 -13.3570 -13.3565 -13.3565 -13.3350 -13.3350 -13.3349 -13.3349 -13.3218 -13.3218 -13.3093 -13.3093 -2.8611 -2.8611 -2.8587 -2.8587 -2.5866 -2.5866 -2.3207 -2.3207 -2.3093 -2.3093 -2.2883 -2.2883 -2.1634 -2.1634 -2.1537 -2.1537 -2.0342 -2.0342 -1.9515 -1.9515 -1.9428 -1.9428 -1.7395 -1.7395 -0.8275 -0.8275 -0.5557 -0.5557 -0.4873 -0.4873 -0.4737 -0.4737 -0.4374 -0.4374 -0.4328 -0.4328 -0.1735 -0.1735 -0.0099 -0.0099 0.0214 0.0214 1.6934 1.6934 1.7317 1.7317 1.8379 1.8379 k = 0.3333 0.5774 0.0363 ( 11946 PWs) bands (ev): -13.3568 -13.3568 -13.3563 -13.3563 -13.3352 -13.3352 -13.3351 -13.3351 -13.3217 -13.3217 -13.3094 -13.3094 -2.8600 -2.8600 -2.8576 -2.8576 -2.5843 -2.5843 -2.3207 -2.3207 -2.3094 -2.3094 -2.2907 -2.2907 -2.1604 -2.1604 -2.1506 -2.1506 -2.0330 -2.0330 -1.9569 -1.9569 -1.9484 -1.9484 -1.7415 -1.7415 -0.8275 -0.8275 -0.5558 -0.5558 -0.4876 -0.4876 -0.4739 -0.4739 -0.4369 -0.4369 -0.4323 -0.4323 -0.1737 -0.1737 -0.0089 -0.0089 0.0223 0.0223 1.6934 1.6934 1.7318 1.7318 1.8403 1.8403 k = 0.3333 0.5774 0.0544 ( 11949 PWs) bands (ev): -13.3566 -13.3566 -13.3561 -13.3561 -13.3354 -13.3354 -13.3353 -13.3353 -13.3216 -13.3216 -13.3095 -13.3095 -2.8589 -2.8589 -2.8566 -2.8566 -2.5825 -2.5825 -2.3207 -2.3207 -2.3095 -2.3095 -2.2926 -2.2926 -2.1574 -2.1574 -2.1476 -2.1476 -2.0318 -2.0318 -1.9621 -1.9621 -1.9539 -1.9539 -1.7430 -1.7430 -0.8275 -0.8275 -0.5558 -0.5558 -0.4880 -0.4880 -0.4744 -0.4744 -0.4363 -0.4363 -0.4318 -0.4318 -0.1740 -0.1740 -0.0077 -0.0077 0.0234 0.0234 1.6935 1.6935 1.7320 1.7320 1.8422 1.8422 k = 0.3333 0.5774 0.0725 ( 11949 PWs) bands (ev): -13.3563 -13.3563 -13.3559 -13.3559 -13.3357 -13.3357 -13.3356 -13.3356 -13.3215 -13.3215 -13.3096 -13.3096 -2.8579 -2.8579 -2.8556 -2.8556 -2.5815 -2.5815 -2.3207 -2.3207 -2.3095 -2.3095 -2.2941 -2.2941 -2.1546 -2.1546 -2.1447 -2.1447 -2.0306 -2.0306 -1.9671 -1.9671 -1.9590 -1.9590 -1.7440 -1.7440 -0.8276 -0.8276 -0.5557 -0.5557 -0.4885 -0.4885 -0.4749 -0.4749 -0.4357 -0.4357 -0.4313 -0.4313 -0.1746 -0.1746 -0.0065 -0.0065 0.0246 0.0246 1.6936 1.6936 1.7323 1.7323 1.8434 1.8434 k = 0.3333 0.5774 0.0907 ( 11940 PWs) bands (ev): -13.3561 -13.3561 -13.3556 -13.3556 -13.3359 -13.3359 -13.3358 -13.3358 -13.3216 -13.3216 -13.3096 -13.3096 -2.8570 -2.8570 -2.8547 -2.8547 -2.5812 -2.5812 -2.3207 -2.3207 -2.3095 -2.3095 -2.2949 -2.2949 -2.1521 -2.1521 -2.1422 -2.1422 -2.0296 -2.0296 -1.9715 -1.9715 -1.9635 -1.9635 -1.7444 -1.7444 -0.8277 -0.8277 -0.5555 -0.5555 -0.4891 -0.4891 -0.4754 -0.4754 -0.4351 -0.4351 -0.4307 -0.4307 -0.1752 -0.1752 -0.0054 -0.0054 0.0258 0.0258 1.6937 1.6937 1.7328 1.7328 1.8439 1.8439 k = 0.3333 0.5774 0.1088 ( 11958 PWs) bands (ev): -13.3558 -13.3558 -13.3554 -13.3554 -13.3362 -13.3362 -13.3361 -13.3361 -13.3216 -13.3216 -13.3095 -13.3095 -2.8563 -2.8563 -2.8540 -2.8540 -2.5816 -2.5816 -2.3206 -2.3206 -2.3095 -2.3095 -2.2951 -2.2951 -2.1501 -2.1501 -2.1401 -2.1401 -2.0287 -2.0287 -1.9752 -1.9752 -1.9673 -1.9673 -1.7442 -1.7442 -0.8278 -0.8278 -0.5553 -0.5553 -0.4898 -0.4898 -0.4761 -0.4761 -0.4344 -0.4344 -0.4301 -0.4301 -0.1760 -0.1760 -0.0042 -0.0042 0.0269 0.0269 1.6939 1.6939 1.7333 1.7333 1.8437 1.8437 k = 0.3333 0.5774 0.1269 ( 11946 PWs) bands (ev): -13.3556 -13.3556 -13.3551 -13.3551 -13.3364 -13.3364 -13.3363 -13.3363 -13.3217 -13.3217 -13.3094 -13.3094 -2.8557 -2.8557 -2.8534 -2.8534 -2.5828 -2.5828 -2.3204 -2.3204 -2.3094 -2.3094 -2.2947 -2.2947 -2.1487 -2.1487 -2.1387 -2.1387 -2.0279 -2.0279 -1.9779 -1.9779 -1.9700 -1.9700 -1.7433 -1.7433 -0.8280 -0.8280 -0.5551 -0.5551 -0.4905 -0.4905 -0.4767 -0.4767 -0.4338 -0.4338 -0.4295 -0.4295 -0.1768 -0.1768 -0.0031 -0.0031 0.0280 0.0280 1.6941 1.6941 1.7340 1.7340 1.8428 1.8428 k = 0.3333 0.5774 0.1451 ( 11964 PWs) bands (ev): -13.3553 -13.3553 -13.3549 -13.3549 -13.3367 -13.3367 -13.3366 -13.3366 -13.3219 -13.3219 -13.3092 -13.3092 -2.8552 -2.8552 -2.8530 -2.8530 -2.5847 -2.5847 -2.3203 -2.3203 -2.3092 -2.3092 -2.2937 -2.2937 -2.1481 -2.1481 -2.1381 -2.1381 -2.0274 -2.0274 -1.9796 -1.9796 -1.9716 -1.9716 -1.7419 -1.7419 -0.8283 -0.8283 -0.5548 -0.5548 -0.4912 -0.4912 -0.4774 -0.4774 -0.4333 -0.4333 -0.4290 -0.4290 -0.1777 -0.1777 -0.0022 -0.0022 0.0291 0.0291 1.6943 1.6943 1.7348 1.7348 1.8412 1.8412 k = 0.3333 0.5774 0.1632 ( 11970 PWs) bands (ev): -13.3551 -13.3551 -13.3547 -13.3547 -13.3369 -13.3369 -13.3368 -13.3368 -13.3221 -13.3221 -13.3090 -13.3090 -2.8550 -2.8550 -2.8528 -2.8528 -2.5872 -2.5872 -2.3200 -2.3200 -2.3090 -2.3090 -2.2921 -2.2921 -2.1482 -2.1482 -2.1383 -2.1383 -2.0271 -2.0271 -1.9801 -1.9801 -1.9720 -1.9720 -1.7400 -1.7400 -0.8285 -0.8285 -0.5545 -0.5545 -0.4919 -0.4919 -0.4780 -0.4780 -0.4327 -0.4327 -0.4285 -0.4285 -0.1787 -0.1787 -0.0013 -0.0013 0.0299 0.0299 1.6945 1.6945 1.7356 1.7356 1.8390 1.8390 k = 0.3333 0.5774 0.1813 ( 11964 PWs) bands (ev): -13.3549 -13.3549 -13.3545 -13.3545 -13.3371 -13.3371 -13.3370 -13.3370 -13.3223 -13.3223 -13.3088 -13.3088 -2.8550 -2.8550 -2.8528 -2.8528 -2.5902 -2.5902 -2.3198 -2.3198 -2.3088 -2.3088 -2.2901 -2.2901 -2.1491 -2.1491 -2.1393 -2.1393 -2.0270 -2.0270 -1.9793 -1.9793 -1.9710 -1.9710 -1.7376 -1.7376 -0.8288 -0.8288 -0.5542 -0.5542 -0.4925 -0.4925 -0.4786 -0.4786 -0.4323 -0.4323 -0.4281 -0.4281 -0.1796 -0.1796 -0.0007 -0.0007 0.0307 0.0307 1.6947 1.6947 1.7364 1.7364 1.8363 1.8363 k = 0.3333 0.5774 0.1995 ( 11958 PWs) bands (ev): -13.3548 -13.3548 -13.3544 -13.3544 -13.3372 -13.3372 -13.3371 -13.3371 -13.3226 -13.3226 -13.3085 -13.3085 -2.8552 -2.8552 -2.8530 -2.8530 -2.5935 -2.5935 -2.3196 -2.3196 -2.3085 -2.3085 -2.2878 -2.2878 -2.1507 -2.1507 -2.1410 -2.1410 -2.0271 -2.0271 -1.9774 -1.9774 -1.9689 -1.9689 -1.7348 -1.7348 -0.8291 -0.8291 -0.5539 -0.5539 -0.4931 -0.4931 -0.4792 -0.4792 -0.4320 -0.4320 -0.4278 -0.4278 -0.1805 -0.1805 -0.0002 -0.0002 0.0312 0.0312 1.6948 1.6948 1.7373 1.7373 1.8332 1.8332 k = 0.3333 0.5774 0.2176 ( 11973 PWs) bands (ev): -13.3547 -13.3547 -13.3543 -13.3543 -13.3373 -13.3373 -13.3372 -13.3372 -13.3229 -13.3229 -13.3083 -13.3083 -2.8556 -2.8556 -2.8534 -2.8534 -2.5970 -2.5970 -2.3193 -2.3193 -2.3082 -2.3082 -2.2852 -2.2852 -2.1530 -2.1530 -2.1434 -2.1434 -2.0275 -2.0275 -1.9745 -1.9745 -1.9657 -1.9657 -1.7318 -1.7318 -0.8293 -0.8293 -0.5535 -0.5535 -0.4937 -0.4937 -0.4797 -0.4797 -0.4317 -0.4317 -0.4275 -0.4275 -0.1814 -0.1814 0.0000 0.0000 0.0316 0.0316 1.6949 1.6949 1.7381 1.7381 1.8298 1.8298 k = 0.3333 0.5774 0.2357 ( 11955 PWs) bands (ev): -13.3546 -13.3546 -13.3542 -13.3542 -13.3374 -13.3374 -13.3372 -13.3372 -13.3231 -13.3231 -13.3080 -13.3080 -2.8562 -2.8562 -2.8540 -2.8540 -2.6007 -2.6007 -2.3191 -2.3191 -2.3078 -2.3078 -2.2824 -2.2824 -2.1557 -2.1557 -2.1463 -2.1463 -2.0280 -2.0280 -1.9707 -1.9707 -1.9616 -1.9616 -1.7285 -1.7285 -0.8296 -0.8296 -0.5532 -0.5532 -0.4941 -0.4941 -0.4802 -0.4802 -0.4315 -0.4315 -0.4274 -0.4274 -0.1821 -0.1821 0.0000 0.0000 0.0317 0.0317 1.6950 1.6950 1.7389 1.7389 1.8263 1.8263 k = 0.3333 0.5774 0.2539 ( 11949 PWs) bands (ev): -13.3546 -13.3546 -13.3542 -13.3542 -13.3374 -13.3374 -13.3372 -13.3372 -13.3233 -13.3233 -13.3078 -13.3078 -2.8570 -2.8570 -2.8548 -2.8548 -2.6043 -2.6043 -2.3188 -2.3188 -2.3075 -2.3075 -2.2796 -2.2796 -2.1588 -2.1588 -2.1494 -2.1494 -2.0287 -2.0287 -1.9662 -1.9662 -1.9568 -1.9568 -1.7252 -1.7252 -0.8298 -0.8298 -0.5529 -0.5529 -0.4945 -0.4945 -0.4805 -0.4805 -0.4315 -0.4315 -0.4273 -0.4273 -0.1828 -0.1828 -0.0001 -0.0001 0.0316 0.0316 1.6949 1.6949 1.7396 1.7396 1.8227 1.8227 k = 0.3333 0.5774 0.2720 ( 11967 PWs) bands (ev): -13.3547 -13.3547 -13.3543 -13.3543 -13.3373 -13.3373 -13.3372 -13.3372 -13.3236 -13.3236 -13.3075 -13.3075 -2.8578 -2.8578 -2.8557 -2.8557 -2.6078 -2.6078 -2.3187 -2.3187 -2.3073 -2.3073 -2.2768 -2.2768 -2.1620 -2.1620 -2.1527 -2.1527 -2.0295 -2.0295 -1.9613 -1.9613 -1.9516 -1.9516 -1.7220 -1.7220 -0.8300 -0.8300 -0.5527 -0.5527 -0.4947 -0.4947 -0.4808 -0.4808 -0.4315 -0.4315 -0.4273 -0.4273 -0.1833 -0.1833 -0.0005 -0.0005 0.0313 0.0313 1.6948 1.6948 1.7401 1.7401 1.8192 1.8192 k = 0.3333 0.5774 0.2901 ( 11967 PWs) bands (ev): -13.3548 -13.3548 -13.3544 -13.3544 -13.3372 -13.3372 -13.3370 -13.3370 -13.3238 -13.3238 -13.3073 -13.3073 -2.8588 -2.8588 -2.8566 -2.8566 -2.6110 -2.6110 -2.3185 -2.3185 -2.3070 -2.3070 -2.2742 -2.2742 -2.1652 -2.1652 -2.1559 -2.1559 -2.0304 -2.0304 -1.9561 -1.9561 -1.9461 -1.9461 -1.7190 -1.7190 -0.8302 -0.8302 -0.5525 -0.5525 -0.4949 -0.4949 -0.4810 -0.4810 -0.4316 -0.4316 -0.4275 -0.4275 -0.1836 -0.1836 -0.0011 -0.0011 0.0308 0.0308 1.6946 1.6946 1.7406 1.7406 1.8160 1.8160 k = 0.3333 0.5774 0.3083 ( 11958 PWs) bands (ev): -13.3550 -13.3550 -13.3546 -13.3546 -13.3370 -13.3370 -13.3369 -13.3369 -13.3240 -13.3240 -13.3072 -13.3072 -2.8599 -2.8599 -2.8577 -2.8577 -2.6138 -2.6138 -2.3184 -2.3184 -2.3068 -2.3068 -2.2717 -2.2717 -2.1683 -2.1683 -2.1590 -2.1590 -2.0314 -2.0314 -1.9507 -1.9507 -1.9406 -1.9406 -1.7162 -1.7162 -0.8303 -0.8303 -0.5523 -0.5523 -0.4949 -0.4949 -0.4810 -0.4810 -0.4318 -0.4318 -0.4277 -0.4277 -0.1838 -0.1838 -0.0019 -0.0019 0.0302 0.0302 1.6944 1.6944 1.7409 1.7409 1.8130 1.8130 Writing output data file ZrCl3.save init_run : 0.22s CPU 0.36s WALL ( 1 calls) electrons : 542.34s CPU 547.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 542.34s CPU 547.01s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.08s WALL ( 230 calls) cegterg : 505.92s CPU 509.92s WALL ( 729 calls) Called by sum_band: Called by *egterg: h_psi : 290.66s CPU 294.20s WALL ( 13782 calls) s_psi : 12.14s CPU 12.01s WALL ( 13782 calls) g_psi : 0.41s CPU 0.40s WALL ( 12823 calls) cdiaghg : 180.92s CPU 181.40s WALL ( 13053 calls) cegterg:over : 18.18s CPU 18.28s WALL ( 12823 calls) cegterg:upda : 14.46s CPU 14.66s WALL ( 12823 calls) cegterg:last : 6.54s CPU 6.60s WALL ( 1419 calls) cdiaghg:chol : 7.20s CPU 7.35s WALL ( 13053 calls) cdiaghg:inve : 3.42s CPU 3.70s WALL ( 13053 calls) cdiaghg:para : 11.18s CPU 11.26s WALL ( 26106 calls) Called by h_psi: h_psi:vloc : 259.02s CPU 262.50s WALL ( 13782 calls) h_psi:vnl : 31.13s CPU 31.22s WALL ( 13782 calls) add_vuspsi : 15.33s CPU 15.54s WALL ( 13782 calls) General routines calbec : 15.74s CPU 15.64s WALL ( 13782 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 251.21s CPU 254.45s WALL ( 986372 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 0.26s WALL ( 460 calls) Parallel routines fft_scatter : 152.85s CPU 154.49s WALL ( 986395 calls) PWSCF : 9m43.88s CPU 9m59.86s WALL This run was terminated on: 8:42:38 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=