Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 1:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiH8xNF3x2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 78 77 21 2705 2685 395 Max 80 78 22 2708 2698 400 Sum 2815 2803 769 97425 96909 14307 bravais-lattice index = 14 lattice parameter (alat) = 11.2779 a.u. unit-cell volume = 1003.5105 (a.u.)^3 number of atoms/cell = 17 number of atomic types = 4 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.277885 celldm(2)= 1.000000 celldm(3)= 0.807808 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.807808 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.237917 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) F 7.00 18.99840 F( 1.00) Ti 12.00 47.86700 Ti( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0161290 0.0093121 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0322581 0.0186242 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0483871 0.0279363 -0.0000000), wk = 0.0035971 k( 5) = ( 0.0645161 0.0372484 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0806452 0.0465605 -0.0000000), wk = 0.0035971 k( 7) = ( 0.0967742 0.0558726 -0.0000000), wk = 0.0035971 k( 8) = ( 0.1129032 0.0651847 -0.0000000), wk = 0.0035971 k( 9) = ( 0.1290323 0.0744968 -0.0000000), wk = 0.0035971 k( 10) = ( 0.1451613 0.0838089 -0.0000000), wk = 0.0035971 k( 11) = ( 0.1612903 0.0931210 -0.0000000), wk = 0.0035971 k( 12) = ( 0.1774194 0.1024331 -0.0000000), wk = 0.0035971 k( 13) = ( 0.1935484 0.1117452 -0.0000000), wk = 0.0035971 k( 14) = ( 0.2096774 0.1210573 -0.0000000), wk = 0.0035971 k( 15) = ( 0.2258064 0.1303694 -0.0000000), wk = 0.0035971 k( 16) = ( 0.2419355 0.1396815 -0.0000000), wk = 0.0035971 k( 17) = ( 0.2580645 0.1489936 -0.0000000), wk = 0.0035971 k( 18) = ( 0.2741936 0.1583057 -0.0000000), wk = 0.0035971 k( 19) = ( 0.2903226 0.1676178 -0.0000000), wk = 0.0035971 k( 20) = ( 0.3064516 0.1769299 -0.0000000), wk = 0.0035971 k( 21) = ( 0.3225807 0.1862420 -0.0000000), wk = 0.0035971 k( 22) = ( 0.3387097 0.1955541 -0.0000000), wk = 0.0035971 k( 23) = ( 0.3548387 0.2048662 -0.0000000), wk = 0.0035971 k( 24) = ( 0.3709677 0.2141783 -0.0000000), wk = 0.0035971 k( 25) = ( 0.3870968 0.2234904 -0.0000000), wk = 0.0035971 k( 26) = ( 0.4032258 0.2328025 -0.0000000), wk = 0.0035971 k( 27) = ( 0.4193548 0.2421146 -0.0000000), wk = 0.0035971 k( 28) = ( 0.4354839 0.2514267 -0.0000000), wk = 0.0035971 k( 29) = ( 0.4516129 0.2607388 -0.0000000), wk = 0.0035971 k( 30) = ( 0.4677419 0.2700509 -0.0000000), wk = 0.0035971 k( 31) = ( 0.4838710 0.2793630 -0.0000000), wk = 0.0035971 k( 32) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 34) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0035971 k( 35) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0035971 k( 36) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0035971 k( 37) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0035971 k( 38) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0035971 k( 39) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0035971 k( 40) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0035971 k( 41) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0035971 k( 42) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035971 k( 43) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0035971 k( 44) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0035971 k( 45) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0035971 k( 46) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0035971 k( 47) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0035971 k( 48) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0035971 k( 49) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0035971 k( 50) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0035971 k( 51) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 52) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 53) = ( 0.3240741 0.5613128 -0.0000000), wk = 0.0035971 k( 54) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0035971 k( 55) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0035971 k( 56) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0035971 k( 57) = ( 0.2870370 0.4971627 -0.0000000), wk = 0.0035971 k( 58) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0035971 k( 59) = ( 0.2685185 0.4650877 -0.0000000), wk = 0.0035971 k( 60) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0035971 k( 61) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0035971 k( 62) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0035971 k( 63) = ( 0.2314815 0.4009377 -0.0000000), wk = 0.0035971 k( 64) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0035971 k( 65) = ( 0.2129630 0.3688627 -0.0000000), wk = 0.0035971 k( 66) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0035971 k( 67) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0035971 k( 68) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0035971 k( 69) = ( 0.1759259 0.3047126 -0.0000000), wk = 0.0035971 k( 70) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035971 k( 71) = ( 0.1574074 0.2726376 -0.0000000), wk = 0.0035971 k( 72) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0035971 k( 73) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0035971 k( 74) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0035971 k( 75) = ( 0.1203704 0.2084876 -0.0000000), wk = 0.0035971 k( 76) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0035971 k( 77) = ( 0.1018518 0.1764126 -0.0000000), wk = 0.0035971 k( 78) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0035971 k( 79) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0035971 k( 80) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0035971 k( 81) = ( 0.0648148 0.1122625 -0.0000000), wk = 0.0035971 k( 82) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0035971 k( 83) = ( 0.0462963 0.0801875 -0.0000000), wk = 0.0035971 k( 84) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0035971 k( 85) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0035971 k( 86) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0035971 k( 87) = ( 0.0092593 0.0160375 -0.0000000), wk = 0.0035971 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 90) = ( 0.0000000 0.0000000 0.0187563), wk = 0.0035971 k( 91) = ( 0.0000000 0.0000000 0.0375126), wk = 0.0035971 k( 92) = ( 0.0000000 0.0000000 0.0562690), wk = 0.0035971 k( 93) = ( 0.0000000 0.0000000 0.0750253), wk = 0.0035971 k( 94) = ( 0.0000000 0.0000000 0.0937816), wk = 0.0035971 k( 95) = ( 0.0000000 0.0000000 0.1125379), wk = 0.0035971 k( 96) = ( 0.0000000 0.0000000 0.1312943), wk = 0.0035971 k( 97) = ( 0.0000000 0.0000000 0.1500506), wk = 0.0035971 k( 98) = ( 0.0000000 0.0000000 0.1688069), wk = 0.0035971 k( 99) = ( 0.0000000 0.0000000 0.1875632), wk = 0.0035971 k( 100) = ( 0.0000000 0.0000000 0.2063196), wk = 0.0035971 k( 101) = ( 0.0000000 0.0000000 0.2250759), wk = 0.0035971 k( 102) = ( 0.0000000 0.0000000 0.2438322), wk = 0.0035971 k( 103) = ( 0.0000000 0.0000000 0.2625885), wk = 0.0035971 k( 104) = ( 0.0000000 0.0000000 0.2813449), wk = 0.0035971 k( 105) = ( 0.0000000 0.0000000 0.3001012), wk = 0.0035971 k( 106) = ( 0.0000000 0.0000000 0.3188575), wk = 0.0035971 k( 107) = ( 0.0000000 0.0000000 0.3376138), wk = 0.0035971 k( 108) = ( 0.0000000 0.0000000 0.3563702), wk = 0.0035971 k( 109) = ( 0.0000000 0.0000000 0.3751265), wk = 0.0035971 k( 110) = ( 0.0000000 0.0000000 0.3938828), wk = 0.0035971 k( 111) = ( 0.0000000 0.0000000 0.4126391), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.4313955), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.4501518), wk = 0.0035971 k( 114) = ( 0.0000000 0.0000000 0.4689081), wk = 0.0035971 k( 115) = ( 0.0000000 0.0000000 0.4876644), wk = 0.0035971 k( 116) = ( 0.0000000 0.0000000 0.5064208), wk = 0.0035971 k( 117) = ( 0.0000000 0.0000000 0.5251771), wk = 0.0035971 k( 118) = ( 0.0000000 0.0000000 0.5439334), wk = 0.0035971 k( 119) = ( 0.0000000 0.0000000 0.5626897), wk = 0.0035971 k( 120) = ( 0.0000000 0.0000000 0.5814461), wk = 0.0035971 k( 121) = ( 0.0000000 0.0000000 0.6002024), wk = 0.0035971 k( 122) = ( 0.0000000 0.0000000 0.6189587), wk = 0.0035971 k( 123) = ( 0.0000000 0.0000000 0.6189587), wk = 0.0035971 k( 124) = ( 0.0161290 0.0093121 0.6189587), wk = 0.0035971 k( 125) = ( 0.0322581 0.0186242 0.6189587), wk = 0.0035971 k( 126) = ( 0.0483871 0.0279363 0.6189587), wk = 0.0035971 k( 127) = ( 0.0645161 0.0372484 0.6189587), wk = 0.0035971 k( 128) = ( 0.0806452 0.0465605 0.6189587), wk = 0.0035971 k( 129) = ( 0.0967742 0.0558726 0.6189587), wk = 0.0035971 k( 130) = ( 0.1129032 0.0651847 0.6189587), wk = 0.0035971 k( 131) = ( 0.1290323 0.0744968 0.6189587), wk = 0.0035971 k( 132) = ( 0.1451613 0.0838089 0.6189587), wk = 0.0035971 k( 133) = ( 0.1612903 0.0931210 0.6189587), wk = 0.0035971 k( 134) = ( 0.1774194 0.1024331 0.6189587), wk = 0.0035971 k( 135) = ( 0.1935484 0.1117452 0.6189587), wk = 0.0035971 k( 136) = ( 0.2096774 0.1210573 0.6189587), wk = 0.0035971 k( 137) = ( 0.2258064 0.1303694 0.6189587), wk = 0.0035971 k( 138) = ( 0.2419355 0.1396815 0.6189587), wk = 0.0035971 k( 139) = ( 0.2580645 0.1489936 0.6189587), wk = 0.0035971 k( 140) = ( 0.2741936 0.1583057 0.6189587), wk = 0.0035971 k( 141) = ( 0.2903226 0.1676178 0.6189587), wk = 0.0035971 k( 142) = ( 0.3064516 0.1769299 0.6189587), wk = 0.0035971 k( 143) = ( 0.3225807 0.1862420 0.6189587), wk = 0.0035971 k( 144) = ( 0.3387097 0.1955541 0.6189587), wk = 0.0035971 k( 145) = ( 0.3548387 0.2048662 0.6189587), wk = 0.0035971 k( 146) = ( 0.3709677 0.2141783 0.6189587), wk = 0.0035971 k( 147) = ( 0.3870968 0.2234904 0.6189587), wk = 0.0035971 k( 148) = ( 0.4032258 0.2328025 0.6189587), wk = 0.0035971 k( 149) = ( 0.4193548 0.2421146 0.6189587), wk = 0.0035971 k( 150) = ( 0.4354839 0.2514267 0.6189587), wk = 0.0035971 k( 151) = ( 0.4516129 0.2607388 0.6189587), wk = 0.0035971 k( 152) = ( 0.4677419 0.2700509 0.6189587), wk = 0.0035971 k( 153) = ( 0.4838710 0.2793630 0.6189587), wk = 0.0035971 k( 154) = ( 0.5000000 0.2886751 0.6189587), wk = 0.0035971 k( 155) = ( 0.5000000 0.2886751 0.6189587), wk = 0.0035971 k( 156) = ( 0.4907407 0.3047126 0.6189587), wk = 0.0035971 k( 157) = ( 0.4814815 0.3207502 0.6189587), wk = 0.0035971 k( 158) = ( 0.4722222 0.3367877 0.6189587), wk = 0.0035971 k( 159) = ( 0.4629630 0.3528252 0.6189587), wk = 0.0035971 k( 160) = ( 0.4537037 0.3688627 0.6189587), wk = 0.0035971 k( 161) = ( 0.4444444 0.3849002 0.6189587), wk = 0.0035971 k( 162) = ( 0.4351852 0.4009377 0.6189587), wk = 0.0035971 k( 163) = ( 0.4259259 0.4169752 0.6189587), wk = 0.0035971 k( 164) = ( 0.4166667 0.4330127 0.6189587), wk = 0.0035971 k( 165) = ( 0.4074074 0.4490502 0.6189587), wk = 0.0035971 k( 166) = ( 0.3981481 0.4650877 0.6189587), wk = 0.0035971 k( 167) = ( 0.3888889 0.4811252 0.6189587), wk = 0.0035971 k( 168) = ( 0.3796296 0.4971627 0.6189587), wk = 0.0035971 k( 169) = ( 0.3703704 0.5132002 0.6189587), wk = 0.0035971 k( 170) = ( 0.3611111 0.5292377 0.6189587), wk = 0.0035971 k( 171) = ( 0.3518519 0.5452753 0.6189587), wk = 0.0035971 k( 172) = ( 0.3425926 0.5613128 0.6189587), wk = 0.0035971 k( 173) = ( 0.3333333 0.5773503 0.6189587), wk = 0.0035971 k( 174) = ( 0.3333333 0.5773503 0.6189587), wk = 0.0035971 k( 175) = ( 0.3240741 0.5613128 0.6189587), wk = 0.0035971 k( 176) = ( 0.3148148 0.5452752 0.6189587), wk = 0.0035971 k( 177) = ( 0.3055556 0.5292378 0.6189587), wk = 0.0035971 k( 178) = ( 0.2962963 0.5132002 0.6189587), wk = 0.0035971 k( 179) = ( 0.2870370 0.4971627 0.6189587), wk = 0.0035971 k( 180) = ( 0.2777778 0.4811252 0.6189587), wk = 0.0035971 k( 181) = ( 0.2685185 0.4650877 0.6189587), wk = 0.0035971 k( 182) = ( 0.2592593 0.4490502 0.6189587), wk = 0.0035971 k( 183) = ( 0.2500000 0.4330127 0.6189587), wk = 0.0035971 k( 184) = ( 0.2407407 0.4169752 0.6189587), wk = 0.0035971 k( 185) = ( 0.2314815 0.4009377 0.6189587), wk = 0.0035971 k( 186) = ( 0.2222222 0.3849002 0.6189587), wk = 0.0035971 k( 187) = ( 0.2129630 0.3688627 0.6189587), wk = 0.0035971 k( 188) = ( 0.2037037 0.3528252 0.6189587), wk = 0.0035971 k( 189) = ( 0.1944444 0.3367876 0.6189587), wk = 0.0035971 k( 190) = ( 0.1851852 0.3207502 0.6189587), wk = 0.0035971 k( 191) = ( 0.1759259 0.3047126 0.6189587), wk = 0.0035971 k( 192) = ( 0.1666667 0.2886751 0.6189587), wk = 0.0035971 k( 193) = ( 0.1574074 0.2726376 0.6189587), wk = 0.0035971 k( 194) = ( 0.1481482 0.2566001 0.6189587), wk = 0.0035971 k( 195) = ( 0.1388889 0.2405626 0.6189587), wk = 0.0035971 k( 196) = ( 0.1296296 0.2245251 0.6189587), wk = 0.0035971 k( 197) = ( 0.1203704 0.2084876 0.6189587), wk = 0.0035971 k( 198) = ( 0.1111111 0.1924501 0.6189587), wk = 0.0035971 k( 199) = ( 0.1018518 0.1764126 0.6189587), wk = 0.0035971 k( 200) = ( 0.0925926 0.1603751 0.6189587), wk = 0.0035971 k( 201) = ( 0.0833333 0.1443376 0.6189587), wk = 0.0035971 k( 202) = ( 0.0740741 0.1283001 0.6189587), wk = 0.0035971 k( 203) = ( 0.0648148 0.1122625 0.6189587), wk = 0.0035971 k( 204) = ( 0.0555556 0.0962251 0.6189587), wk = 0.0035971 k( 205) = ( 0.0462963 0.0801875 0.6189587), wk = 0.0035971 k( 206) = ( 0.0370370 0.0641500 0.6189587), wk = 0.0035971 k( 207) = ( 0.0277778 0.0481125 0.6189587), wk = 0.0035971 k( 208) = ( 0.0185185 0.0320750 0.6189587), wk = 0.0035971 k( 209) = ( 0.0092593 0.0160375 0.6189587), wk = 0.0035971 k( 210) = ( 0.0000000 0.0000000 0.6189587), wk = 0.0035971 k( 211) = ( 0.5000000 0.2886751 0.6189587), wk = 0.0035971 k( 212) = ( 0.5000000 0.2886751 0.6002024), wk = 0.0035971 k( 213) = ( 0.5000000 0.2886751 0.5814461), wk = 0.0035971 k( 214) = ( 0.5000000 0.2886751 0.5626897), wk = 0.0035971 k( 215) = ( 0.5000000 0.2886751 0.5439334), wk = 0.0035971 k( 216) = ( 0.5000000 0.2886751 0.5251771), wk = 0.0035971 k( 217) = ( 0.5000000 0.2886751 0.5064208), wk = 0.0035971 k( 218) = ( 0.5000000 0.2886751 0.4876644), wk = 0.0035971 k( 219) = ( 0.5000000 0.2886751 0.4689081), wk = 0.0035971 k( 220) = ( 0.5000000 0.2886751 0.4501518), wk = 0.0035971 k( 221) = ( 0.5000000 0.2886751 0.4313955), wk = 0.0035971 k( 222) = ( 0.5000000 0.2886751 0.4126391), wk = 0.0035971 k( 223) = ( 0.5000000 0.2886751 0.3938828), wk = 0.0035971 k( 224) = ( 0.5000000 0.2886751 0.3751265), wk = 0.0035971 k( 225) = ( 0.5000000 0.2886751 0.3563702), wk = 0.0035971 k( 226) = ( 0.5000000 0.2886751 0.3376138), wk = 0.0035971 k( 227) = ( 0.5000000 0.2886751 0.3188575), wk = 0.0035971 k( 228) = ( 0.5000000 0.2886751 0.3001012), wk = 0.0035971 k( 229) = ( 0.5000000 0.2886751 0.2813449), wk = 0.0035971 k( 230) = ( 0.5000000 0.2886751 0.2625885), wk = 0.0035971 k( 231) = ( 0.5000000 0.2886751 0.2438322), wk = 0.0035971 k( 232) = ( 0.5000000 0.2886751 0.2250759), wk = 0.0035971 k( 233) = ( 0.5000000 0.2886751 0.2063196), wk = 0.0035971 k( 234) = ( 0.5000000 0.2886751 0.1875632), wk = 0.0035971 k( 235) = ( 0.5000000 0.2886751 0.1688069), wk = 0.0035971 k( 236) = ( 0.5000000 0.2886751 0.1500506), wk = 0.0035971 k( 237) = ( 0.5000000 0.2886751 0.1312943), wk = 0.0035971 k( 238) = ( 0.5000000 0.2886751 0.1125379), wk = 0.0035971 k( 239) = ( 0.5000000 0.2886751 0.0937816), wk = 0.0035971 k( 240) = ( 0.5000000 0.2886751 0.0750253), wk = 0.0035971 k( 241) = ( 0.5000000 0.2886751 0.0562690), wk = 0.0035971 k( 242) = ( 0.5000000 0.2886751 0.0375126), wk = 0.0035971 k( 243) = ( 0.5000000 0.2886751 0.0187563), wk = 0.0035971 k( 244) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 245) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 246) = ( 0.3333333 0.5773503 0.0187563), wk = 0.0035971 k( 247) = ( 0.3333333 0.5773503 0.0375126), wk = 0.0035971 k( 248) = ( 0.3333333 0.5773503 0.0562690), wk = 0.0035971 k( 249) = ( 0.3333333 0.5773503 0.0750253), wk = 0.0035971 k( 250) = ( 0.3333333 0.5773503 0.0937816), wk = 0.0035971 k( 251) = ( 0.3333333 0.5773503 0.1125379), wk = 0.0035971 k( 252) = ( 0.3333333 0.5773503 0.1312943), wk = 0.0035971 k( 253) = ( 0.3333333 0.5773503 0.1500506), wk = 0.0035971 k( 254) = ( 0.3333333 0.5773503 0.1688069), wk = 0.0035971 k( 255) = ( 0.3333333 0.5773503 0.1875632), wk = 0.0035971 k( 256) = ( 0.3333333 0.5773503 0.2063196), wk = 0.0035971 k( 257) = ( 0.3333333 0.5773503 0.2250759), wk = 0.0035971 k( 258) = ( 0.3333333 0.5773503 0.2438322), wk = 0.0035971 k( 259) = ( 0.3333333 0.5773503 0.2625885), wk = 0.0035971 k( 260) = ( 0.3333333 0.5773503 0.2813449), wk = 0.0035971 k( 261) = ( 0.3333333 0.5773503 0.3001012), wk = 0.0035971 k( 262) = ( 0.3333333 0.5773503 0.3188575), wk = 0.0035971 k( 263) = ( 0.3333333 0.5773503 0.3376138), wk = 0.0035971 k( 264) = ( 0.3333333 0.5773503 0.3563702), wk = 0.0035971 k( 265) = ( 0.3333333 0.5773503 0.3751265), wk = 0.0035971 k( 266) = ( 0.3333333 0.5773503 0.3938828), wk = 0.0035971 k( 267) = ( 0.3333333 0.5773503 0.4126391), wk = 0.0035971 k( 268) = ( 0.3333333 0.5773503 0.4313955), wk = 0.0035971 k( 269) = ( 0.3333333 0.5773503 0.4501518), wk = 0.0035971 k( 270) = ( 0.3333333 0.5773503 0.4689081), wk = 0.0035971 k( 271) = ( 0.3333333 0.5773503 0.4876644), wk = 0.0035971 k( 272) = ( 0.3333333 0.5773503 0.5064208), wk = 0.0035971 k( 273) = ( 0.3333333 0.5773503 0.5251771), wk = 0.0035971 k( 274) = ( 0.3333333 0.5773503 0.5439334), wk = 0.0035971 k( 275) = ( 0.3333333 0.5773503 0.5626897), wk = 0.0035971 k( 276) = ( 0.3333333 0.5773503 0.5814461), wk = 0.0035971 k( 277) = ( 0.3333333 0.5773503 0.6002024), wk = 0.0035971 k( 278) = ( 0.3333333 0.5773503 0.6189587), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0161290 -0.0000000 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0322581 -0.0000000 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0483871 0.0000000 0.0000000), wk = 0.0035971 k( 5) = ( 0.0645161 -0.0000000 0.0000000), wk = 0.0035971 k( 6) = ( 0.0806452 0.0000000 0.0000000), wk = 0.0035971 k( 7) = ( 0.0967742 0.0000000 -0.0000000), wk = 0.0035971 k( 8) = ( 0.1129032 0.0000000 0.0000000), wk = 0.0035971 k( 9) = ( 0.1290323 -0.0000000 0.0000000), wk = 0.0035971 k( 10) = ( 0.1451613 0.0000000 -0.0000000), wk = 0.0035971 k( 11) = ( 0.1612903 0.0000000 0.0000000), wk = 0.0035971 k( 12) = ( 0.1774194 0.0000000 0.0000000), wk = 0.0035971 k( 13) = ( 0.1935484 0.0000000 -0.0000000), wk = 0.0035971 k( 14) = ( 0.2096774 0.0000000 0.0000000), wk = 0.0035971 k( 15) = ( 0.2258064 -0.0000000 0.0000000), wk = 0.0035971 k( 16) = ( 0.2419355 0.0000000 0.0000000), wk = 0.0035971 k( 17) = ( 0.2580645 -0.0000000 0.0000000), wk = 0.0035971 k( 18) = ( 0.2741936 -0.0000000 -0.0000000), wk = 0.0035971 k( 19) = ( 0.2903226 0.0000000 -0.0000000), wk = 0.0035971 k( 20) = ( 0.3064516 0.0000000 -0.0000000), wk = 0.0035971 k( 21) = ( 0.3225807 -0.0000000 -0.0000000), wk = 0.0035971 k( 22) = ( 0.3387097 0.0000000 0.0000000), wk = 0.0035971 k( 23) = ( 0.3548387 0.0000000 0.0000000), wk = 0.0035971 k( 24) = ( 0.3709677 0.0000000 0.0000000), wk = 0.0035971 k( 25) = ( 0.3870968 -0.0000000 -0.0000000), wk = 0.0035971 k( 26) = ( 0.4032258 0.0000000 -0.0000000), wk = 0.0035971 k( 27) = ( 0.4193548 0.0000000 0.0000000), wk = 0.0035971 k( 28) = ( 0.4354839 -0.0000000 -0.0000000), wk = 0.0035971 k( 29) = ( 0.4516129 -0.0000000 0.0000000), wk = 0.0035971 k( 30) = ( 0.4677419 0.0000000 -0.0000000), wk = 0.0035971 k( 31) = ( 0.4838710 0.0000000 0.0000000), wk = 0.0035971 k( 32) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 33) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 34) = ( 0.4907407 0.0185185 -0.0000000), wk = 0.0035971 k( 35) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0035971 k( 36) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0035971 k( 37) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0035971 k( 38) = ( 0.4537037 0.0925926 0.0000000), wk = 0.0035971 k( 39) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0035971 k( 40) = ( 0.4351852 0.1296296 -0.0000000), wk = 0.0035971 k( 41) = ( 0.4259259 0.1481482 -0.0000000), wk = 0.0035971 k( 42) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0035971 k( 43) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0035971 k( 44) = ( 0.3981481 0.2037037 -0.0000000), wk = 0.0035971 k( 45) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0035971 k( 46) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0035971 k( 47) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0035971 k( 48) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0035971 k( 49) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0035971 k( 50) = ( 0.3425926 0.3148148 -0.0000000), wk = 0.0035971 k( 51) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035971 k( 52) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035971 k( 53) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0035971 k( 54) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0035971 k( 55) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0035971 k( 56) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0035971 k( 57) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0035971 k( 58) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0035971 k( 59) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0035971 k( 60) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0035971 k( 61) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0035971 k( 62) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0035971 k( 63) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0035971 k( 64) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0035971 k( 65) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0035971 k( 66) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0035971 k( 67) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0035971 k( 68) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0035971 k( 69) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0035971 k( 70) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035971 k( 71) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0035971 k( 72) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0035971 k( 73) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0035971 k( 74) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0035971 k( 75) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0035971 k( 76) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0035971 k( 77) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0035971 k( 78) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0035971 k( 79) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0035971 k( 80) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0035971 k( 81) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0035971 k( 82) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0035971 k( 83) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0035971 k( 84) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0035971 k( 85) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0035971 k( 86) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0035971 k( 87) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0035971 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 90) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0035971 k( 91) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0035971 k( 92) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0035971 k( 93) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0035971 k( 94) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0035971 k( 95) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0035971 k( 96) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0035971 k( 97) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0035971 k( 98) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0035971 k( 99) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0035971 k( 100) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035971 k( 101) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0035971 k( 102) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0035971 k( 103) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0035971 k( 104) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0035971 k( 105) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0035971 k( 106) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0035971 k( 107) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0035971 k( 108) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0035971 k( 109) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0035971 k( 110) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0035971 k( 111) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0035971 k( 114) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0035971 k( 115) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0035971 k( 116) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0035971 k( 117) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0035971 k( 118) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0035971 k( 119) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0035971 k( 120) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0035971 k( 121) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0035971 k( 122) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 124) = ( 0.0161290 -0.0000000 0.5000000), wk = 0.0035971 k( 125) = ( 0.0322581 -0.0000000 0.5000000), wk = 0.0035971 k( 126) = ( 0.0483871 0.0000000 0.5000000), wk = 0.0035971 k( 127) = ( 0.0645161 -0.0000000 0.5000000), wk = 0.0035971 k( 128) = ( 0.0806452 0.0000000 0.5000000), wk = 0.0035971 k( 129) = ( 0.0967742 0.0000000 0.5000000), wk = 0.0035971 k( 130) = ( 0.1129032 0.0000000 0.5000000), wk = 0.0035971 k( 131) = ( 0.1290323 -0.0000000 0.5000000), wk = 0.0035971 k( 132) = ( 0.1451613 0.0000000 0.5000000), wk = 0.0035971 k( 133) = ( 0.1612903 0.0000000 0.5000000), wk = 0.0035971 k( 134) = ( 0.1774194 0.0000000 0.5000000), wk = 0.0035971 k( 135) = ( 0.1935484 0.0000000 0.5000000), wk = 0.0035971 k( 136) = ( 0.2096774 0.0000000 0.5000000), wk = 0.0035971 k( 137) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0035971 k( 138) = ( 0.2419355 0.0000000 0.5000000), wk = 0.0035971 k( 139) = ( 0.2580645 -0.0000000 0.5000000), wk = 0.0035971 k( 140) = ( 0.2741936 -0.0000000 0.5000000), wk = 0.0035971 k( 141) = ( 0.2903226 0.0000000 0.5000000), wk = 0.0035971 k( 142) = ( 0.3064516 0.0000000 0.5000000), wk = 0.0035971 k( 143) = ( 0.3225807 -0.0000000 0.5000000), wk = 0.0035971 k( 144) = ( 0.3387097 0.0000000 0.5000000), wk = 0.0035971 k( 145) = ( 0.3548387 0.0000000 0.5000000), wk = 0.0035971 k( 146) = ( 0.3709677 0.0000000 0.5000000), wk = 0.0035971 k( 147) = ( 0.3870968 -0.0000000 0.5000000), wk = 0.0035971 k( 148) = ( 0.4032258 0.0000000 0.5000000), wk = 0.0035971 k( 149) = ( 0.4193548 0.0000000 0.5000000), wk = 0.0035971 k( 150) = ( 0.4354839 -0.0000000 0.5000000), wk = 0.0035971 k( 151) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0035971 k( 152) = ( 0.4677419 0.0000000 0.5000000), wk = 0.0035971 k( 153) = ( 0.4838710 0.0000000 0.5000000), wk = 0.0035971 k( 154) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 155) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 156) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0035971 k( 157) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0035971 k( 158) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0035971 k( 159) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0035971 k( 160) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0035971 k( 161) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0035971 k( 162) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0035971 k( 163) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0035971 k( 164) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035971 k( 165) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0035971 k( 166) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0035971 k( 167) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0035971 k( 168) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0035971 k( 169) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0035971 k( 170) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0035971 k( 171) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0035971 k( 172) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0035971 k( 173) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 k( 174) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 k( 175) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0035971 k( 176) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0035971 k( 177) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0035971 k( 178) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0035971 k( 179) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0035971 k( 180) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0035971 k( 181) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0035971 k( 182) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0035971 k( 183) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035971 k( 184) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0035971 k( 185) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0035971 k( 186) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0035971 k( 187) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0035971 k( 188) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0035971 k( 189) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0035971 k( 190) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0035971 k( 191) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0035971 k( 192) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035971 k( 193) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0035971 k( 194) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0035971 k( 195) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0035971 k( 196) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0035971 k( 197) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0035971 k( 198) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0035971 k( 199) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0035971 k( 200) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0035971 k( 201) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0035971 k( 202) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0035971 k( 203) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0035971 k( 204) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0035971 k( 205) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0035971 k( 206) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0035971 k( 207) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0035971 k( 208) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0035971 k( 209) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0035971 k( 210) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 211) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 212) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0035971 k( 213) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0035971 k( 214) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0035971 k( 215) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0035971 k( 216) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0035971 k( 217) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0035971 k( 218) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0035971 k( 219) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0035971 k( 220) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0035971 k( 221) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0035971 k( 222) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0035971 k( 223) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0035971 k( 224) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0035971 k( 225) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0035971 k( 226) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0035971 k( 227) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0035971 k( 228) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0035971 k( 229) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0035971 k( 230) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0035971 k( 231) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0035971 k( 232) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0035971 k( 233) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0035971 k( 234) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0035971 k( 235) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0035971 k( 236) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0035971 k( 237) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0035971 k( 238) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0035971 k( 239) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0035971 k( 240) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0035971 k( 241) = ( 0.5000000 0.0000000 0.0454545), wk = 0.0035971 k( 242) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0035971 k( 243) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0035971 k( 244) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 245) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035971 k( 246) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0035971 k( 247) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0035971 k( 248) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0035971 k( 249) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0035971 k( 250) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0035971 k( 251) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0035971 k( 252) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0035971 k( 253) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0035971 k( 254) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0035971 k( 255) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0035971 k( 256) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0035971 k( 257) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0035971 k( 258) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0035971 k( 259) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0035971 k( 260) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0035971 k( 261) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0035971 k( 262) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0035971 k( 263) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0035971 k( 264) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0035971 k( 265) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0035971 k( 266) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0035971 k( 267) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035971 k( 268) = ( 0.3333333 0.3333333 0.3484848), wk = 0.0035971 k( 269) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0035971 k( 270) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0035971 k( 271) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0035971 k( 272) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0035971 k( 273) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0035971 k( 274) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0035971 k( 275) = ( 0.3333333 0.3333333 0.4545454), wk = 0.0035971 k( 276) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0035971 k( 277) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0035971 k( 278) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 Dense grid: 97425 G-vectors FFT dimensions: ( 72, 72, 54) Smooth grid: 96909 G-vectors FFT dimensions: ( 72, 72, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.92 Mb ( 700, 86) NL pseudopotentials 0.87 Mb ( 350, 162) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2708) G-vector shells 0.01 Mb ( 1246) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.67 Mb ( 700, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.43 Mb ( 162, 2, 86) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./TiH8xNF3x2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 8.3 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 11.1 secs Computing kpt #: 8 total cpu time spent up to now is 12.5 secs Computing kpt #: 9 total cpu time spent up to now is 13.9 secs Computing kpt #: 10 total cpu time spent up to now is 15.3 secs Computing kpt #: 11 total cpu time spent up to now is 16.8 secs Computing kpt #: 12 total cpu time spent up to now is 18.2 secs Computing kpt #: 13 total cpu time spent up to now is 19.6 secs Computing kpt #: 14 total cpu time spent up to now is 21.0 secs Computing kpt #: 15 total cpu time spent up to now is 22.4 secs Computing kpt #: 16 total cpu time spent up to now is 23.9 secs Computing kpt #: 17 total cpu time spent up to now is 25.9 secs Computing kpt #: 18 total cpu time spent up to now is 27.3 secs Computing kpt #: 19 total cpu time spent up to now is 28.8 secs Computing kpt #: 20 total cpu time spent up to now is 30.2 secs Computing kpt #: 21 total cpu time spent up to now is 31.7 secs Computing kpt #: 22 total cpu time spent up to now is 33.1 secs Computing kpt #: 23 total cpu time spent up to now is 34.6 secs Computing kpt #: 24 total cpu time spent up to now is 36.0 secs Computing kpt #: 25 total cpu time spent up to now is 37.4 secs Computing kpt #: 26 total cpu time spent up to now is 38.9 secs Computing kpt #: 27 total cpu time spent up to now is 40.3 secs Computing kpt #: 28 total cpu time spent up to now is 41.7 secs Computing kpt #: 29 total cpu time spent up to now is 43.2 secs Computing kpt #: 30 total cpu time spent up to now is 44.6 secs Computing kpt #: 31 total cpu time spent up to now is 46.0 secs Computing kpt #: 32 total cpu time spent up to now is 47.4 secs Computing kpt #: 33 total cpu time spent up to now is 48.8 secs Computing kpt #: 34 total cpu time spent up to now is 50.2 secs Computing kpt #: 35 total cpu time spent up to now is 51.6 secs Computing kpt #: 36 total cpu time spent up to now is 53.0 secs Computing kpt #: 37 total cpu time spent up to now is 54.5 secs Computing kpt #: 38 total cpu time spent up to now is 55.9 secs Computing kpt #: 39 total cpu time spent up to now is 57.3 secs Computing kpt #: 40 total cpu time spent up to now is 58.7 secs Computing kpt #: 41 total cpu time spent up to now is 60.1 secs Computing kpt #: 42 total cpu time spent up to now is 61.6 secs Computing kpt #: 43 total cpu time spent up to now is 63.0 secs Computing kpt #: 44 total cpu time spent up to now is 64.4 secs Computing kpt #: 45 total cpu time spent up to now is 65.8 secs Computing kpt #: 46 total cpu time spent up to now is 67.2 secs Computing kpt #: 47 total cpu time spent up to now is 68.6 secs Computing kpt #: 48 total cpu time spent up to now is 70.0 secs Computing kpt #: 49 total cpu time spent up to now is 71.4 secs Computing kpt #: 50 total cpu time spent up to now is 72.8 secs Computing kpt #: 51 total cpu time spent up to now is 74.2 secs Computing kpt #: 52 total cpu time spent up to now is 75.6 secs Computing kpt #: 53 total cpu time spent up to now is 77.0 secs Computing kpt #: 54 total cpu time spent up to now is 78.4 secs Computing kpt #: 55 total cpu time spent up to now is 79.8 secs Computing kpt #: 56 total cpu time spent up to now is 81.2 secs Computing kpt #: 57 total cpu time spent up to now is 82.6 secs Computing kpt #: 58 total cpu time spent up to now is 84.0 secs Computing kpt #: 59 total cpu time spent up to now is 85.4 secs Computing kpt #: 60 total cpu time spent up to now is 86.8 secs Computing kpt #: 61 total cpu time spent up to now is 88.2 secs Computing kpt #: 62 total cpu time spent up to now is 89.6 secs Computing kpt #: 63 total cpu time spent up to now is 91.0 secs Computing kpt #: 64 total cpu time spent up to now is 92.4 secs Computing kpt #: 65 total cpu time spent up to now is 93.8 secs Computing kpt #: 66 total cpu time spent up to now is 95.2 secs Computing kpt #: 67 total cpu time spent up to now is 96.6 secs Computing kpt #: 68 total cpu time spent up to now is 98.0 secs Computing kpt #: 69 total cpu time spent up to now is 99.4 secs Computing kpt #: 70 total cpu time spent up to now is 100.8 secs Computing kpt #: 71 total cpu time spent up to now is 102.3 secs Computing kpt #: 72 total cpu time spent up to now is 103.7 secs Computing kpt #: 73 total cpu time spent up to now is 105.1 secs Computing kpt #: 74 total cpu time spent up to now is 106.6 secs Computing kpt #: 75 total cpu time spent up to now is 108.0 secs Computing kpt #: 76 total cpu time spent up to now is 109.4 secs Computing kpt #: 77 total cpu time spent up to now is 110.8 secs Computing kpt #: 78 total cpu time spent up to now is 112.3 secs Computing kpt #: 79 total cpu time spent up to now is 113.7 secs Computing kpt #: 80 total cpu time spent up to now is 115.1 secs Computing kpt #: 81 total cpu time spent up to now is 116.5 secs Computing kpt #: 82 total cpu time spent up to now is 117.9 secs Computing kpt #: 83 total cpu time spent up to now is 119.3 secs Computing kpt #: 84 total cpu time spent up to now is 120.7 secs Computing kpt #: 85 total cpu time spent up to now is 122.0 secs Computing kpt #: 86 total cpu time spent up to now is 123.4 secs Computing kpt #: 87 total cpu time spent up to now is 124.8 secs Computing kpt #: 88 total cpu time spent up to now is 126.2 secs Computing kpt #: 89 total cpu time spent up to now is 127.5 secs Computing kpt #: 90 total cpu time spent up to now is 128.9 secs Computing kpt #: 91 total cpu time spent up to now is 130.3 secs Computing kpt #: 92 total cpu time spent up to now is 131.7 secs Computing kpt #: 93 total cpu time spent up to now is 133.0 secs Computing kpt #: 94 total cpu time spent up to now is 134.4 secs Computing kpt #: 95 total cpu time spent up to now is 135.8 secs Computing kpt #: 96 total cpu time spent up to now is 137.2 secs Computing kpt #: 97 total cpu time spent up to now is 138.6 secs Computing kpt #: 98 total cpu time spent up to now is 140.0 secs Computing kpt #: 99 total cpu time spent up to now is 141.4 secs Computing kpt #: 100 total cpu time spent up to now is 142.7 secs Computing kpt #: 101 total cpu time spent up to now is 144.1 secs Computing kpt #: 102 total cpu time spent up to now is 145.5 secs Computing kpt #: 103 total cpu time spent up to now is 146.9 secs Computing kpt #: 104 total cpu time spent up to now is 148.3 secs Computing kpt #: 105 total cpu time spent up to now is 149.7 secs Computing kpt #: 106 total cpu time spent up to now is 151.1 secs Computing kpt #: 107 total cpu time spent up to now is 152.5 secs Computing kpt #: 108 total cpu time spent up to now is 153.9 secs Computing kpt #: 109 total cpu time spent up to now is 155.3 secs Computing kpt #: 110 total cpu time spent up to now is 156.7 secs Computing kpt #: 111 total cpu time spent up to now is 158.1 secs Computing kpt #: 112 total cpu time spent up to now is 159.5 secs Computing kpt #: 113 total cpu time spent up to now is 160.8 secs Computing kpt #: 114 total cpu time spent up to now is 162.2 secs Computing kpt #: 115 total cpu time spent up to now is 163.6 secs Computing kpt #: 116 total cpu time spent up to now is 165.0 secs Computing kpt #: 117 total cpu time spent up to now is 166.3 secs Computing kpt #: 118 total cpu time spent up to now is 167.7 secs Computing kpt #: 119 total cpu time spent up to now is 169.1 secs Computing kpt #: 120 total cpu time spent up to now is 170.4 secs Computing kpt #: 121 total cpu time spent up to now is 171.8 secs Computing kpt #: 122 total cpu time spent up to now is 173.1 secs Computing kpt #: 123 total cpu time spent up to now is 174.5 secs Computing kpt #: 124 total cpu time spent up to now is 175.9 secs Computing kpt #: 125 total cpu time spent up to now is 177.2 secs Computing kpt #: 126 total cpu time spent up to now is 178.6 secs Computing kpt #: 127 total cpu time spent up to now is 180.0 secs Computing kpt #: 128 total cpu time spent up to now is 181.4 secs Computing kpt #: 129 total cpu time spent up to now is 182.8 secs Computing kpt #: 130 total cpu time spent up to now is 184.2 secs Computing kpt #: 131 total cpu time spent up to now is 185.6 secs Computing kpt #: 132 total cpu time spent up to now is 187.0 secs Computing kpt #: 133 total cpu time spent up to now is 188.4 secs Computing kpt #: 134 total cpu time spent up to now is 189.8 secs Computing kpt #: 135 total cpu time spent up to now is 191.3 secs Computing kpt #: 136 total cpu time spent up to now is 192.7 secs Computing kpt #: 137 total cpu time spent up to now is 194.1 secs Computing kpt #: 138 total cpu time spent up to now is 195.5 secs Computing kpt #: 139 total cpu time spent up to now is 197.0 secs Computing kpt #: 140 total cpu time spent up to now is 198.4 secs Computing kpt #: 141 total cpu time spent up to now is 199.8 secs Computing kpt #: 142 total cpu time spent up to now is 201.3 secs Computing kpt #: 143 total cpu time spent up to now is 202.7 secs Computing kpt #: 144 total cpu time spent up to now is 204.2 secs Computing kpt #: 145 total cpu time spent up to now is 205.7 secs Computing kpt #: 146 total cpu time spent up to now is 207.2 secs Computing kpt #: 147 total cpu time spent up to now is 208.7 secs Computing kpt #: 148 total cpu time spent up to now is 210.3 secs Computing kpt #: 149 total cpu time spent up to now is 211.8 secs Computing kpt #: 150 total cpu time spent up to now is 213.2 secs Computing kpt #: 151 total cpu time spent up to now is 214.6 secs Computing kpt #: 152 total cpu time spent up to now is 216.1 secs Computing kpt #: 153 total cpu time spent up to now is 217.5 secs Computing kpt #: 154 total cpu time spent up to now is 219.0 secs Computing kpt #: 155 total cpu time spent up to now is 220.4 secs Computing kpt #: 156 total cpu time spent up to now is 221.8 secs Computing kpt #: 157 total cpu time spent up to now is 223.2 secs Computing kpt #: 158 total cpu time spent up to now is 224.6 secs Computing kpt #: 159 total cpu time spent up to now is 226.1 secs Computing kpt #: 160 total cpu time spent up to now is 227.5 secs Computing kpt #: 161 total cpu time spent up to now is 229.0 secs Computing kpt #: 162 total cpu time spent up to now is 230.5 secs Computing kpt #: 163 total cpu time spent up to now is 231.9 secs Computing kpt #: 164 total cpu time spent up to now is 233.4 secs Computing kpt #: 165 total cpu time spent up to now is 234.9 secs Computing kpt #: 166 total cpu time spent up to now is 236.4 secs Computing kpt #: 167 total cpu time spent up to now is 237.9 secs Computing kpt #: 168 total cpu time spent up to now is 239.3 secs Computing kpt #: 169 total cpu time spent up to now is 240.8 secs Computing kpt #: 170 total cpu time spent up to now is 242.3 secs Computing kpt #: 171 total cpu time spent up to now is 243.8 secs Computing kpt #: 172 total cpu time spent up to now is 245.2 secs Computing kpt #: 173 total cpu time spent up to now is 246.7 secs Computing kpt #: 174 total cpu time spent up to now is 248.2 secs Computing kpt #: 175 total cpu time spent up to now is 249.6 secs Computing kpt #: 176 total cpu time spent up to now is 251.1 secs Computing kpt #: 177 total cpu time spent up to now is 252.6 secs Computing kpt #: 178 total cpu time spent up to now is 254.0 secs Computing kpt #: 179 total cpu time spent up to now is 255.5 secs Computing kpt #: 180 total cpu time spent up to now is 257.0 secs Computing kpt #: 181 total cpu time spent up to now is 258.5 secs Computing kpt #: 182 total cpu time spent up to now is 260.0 secs Computing kpt #: 183 total cpu time spent up to now is 261.6 secs Computing kpt #: 184 total cpu time spent up to now is 263.1 secs Computing kpt #: 185 total cpu time spent up to now is 264.7 secs Computing kpt #: 186 total cpu time spent up to now is 266.2 secs Computing kpt #: 187 total cpu time spent up to now is 267.6 secs Computing kpt #: 188 total cpu time spent up to now is 269.1 secs Computing kpt #: 189 total cpu time spent up to now is 270.6 secs Computing kpt #: 190 total cpu time spent up to now is 272.1 secs Computing kpt #: 191 total cpu time spent up to now is 273.6 secs Computing kpt #: 192 total cpu time spent up to now is 275.1 secs Computing kpt #: 193 total cpu time spent up to now is 276.6 secs Computing kpt #: 194 total cpu time spent up to now is 278.0 secs Computing kpt #: 195 total cpu time spent up to now is 279.5 secs Computing kpt #: 196 total cpu time spent up to now is 280.9 secs Computing kpt #: 197 total cpu time spent up to now is 282.3 secs Computing kpt #: 198 total cpu time spent up to now is 283.8 secs Computing kpt #: 199 total cpu time spent up to now is 285.2 secs Computing kpt #: 200 total cpu time spent up to now is 286.6 secs Computing kpt #: 201 total cpu time spent up to now is 288.0 secs Computing kpt #: 202 total cpu time spent up to now is 289.4 secs Computing kpt #: 203 total cpu time spent up to now is 290.8 secs Computing kpt #: 204 total cpu time spent up to now is 292.2 secs Computing kpt #: 205 total cpu time spent up to now is 293.5 secs Computing kpt #: 206 total cpu time spent up to now is 294.9 secs Computing kpt #: 207 total cpu time spent up to now is 296.3 secs Computing kpt #: 208 total cpu time spent up to now is 297.7 secs Computing kpt #: 209 total cpu time spent up to now is 299.1 secs Computing kpt #: 210 total cpu time spent up to now is 300.4 secs Computing kpt #: 211 total cpu time spent up to now is 301.8 secs Computing kpt #: 212 total cpu time spent up to now is 303.3 secs Computing kpt #: 213 total cpu time spent up to now is 304.7 secs Computing kpt #: 214 total cpu time spent up to now is 306.2 secs Computing kpt #: 215 total cpu time spent up to now is 307.7 secs Computing kpt #: 216 total cpu time spent up to now is 309.1 secs Computing kpt #: 217 total cpu time spent up to now is 310.6 secs Computing kpt #: 218 total cpu time spent up to now is 312.0 secs Computing kpt #: 219 total cpu time spent up to now is 313.5 secs Computing kpt #: 220 total cpu time spent up to now is 314.9 secs Computing kpt #: 221 total cpu time spent up to now is 316.4 secs Computing kpt #: 222 total cpu time spent up to now is 317.8 secs Computing kpt #: 223 total cpu time spent up to now is 319.2 secs Computing kpt #: 224 total cpu time spent up to now is 320.7 secs Computing kpt #: 225 total cpu time spent up to now is 322.1 secs Computing kpt #: 226 total cpu time spent up to now is 323.6 secs Computing kpt #: 227 total cpu time spent up to now is 325.5 secs Computing kpt #: 228 total cpu time spent up to now is 327.0 secs Computing kpt #: 229 total cpu time spent up to now is 328.4 secs Computing kpt #: 230 total cpu time spent up to now is 329.9 secs Computing kpt #: 231 total cpu time spent up to now is 331.3 secs Computing kpt #: 232 total cpu time spent up to now is 332.8 secs Computing kpt #: 233 total cpu time spent up to now is 334.2 secs Computing kpt #: 234 total cpu time spent up to now is 335.7 secs Computing kpt #: 235 total cpu time spent up to now is 337.1 secs Computing kpt #: 236 total cpu time spent up to now is 338.5 secs Computing kpt #: 237 total cpu time spent up to now is 339.9 secs Computing kpt #: 238 total cpu time spent up to now is 341.3 secs Computing kpt #: 239 total cpu time spent up to now is 342.8 secs Computing kpt #: 240 total cpu time spent up to now is 344.2 secs Computing kpt #: 241 total cpu time spent up to now is 345.6 secs Computing kpt #: 242 total cpu time spent up to now is 347.0 secs Computing kpt #: 243 total cpu time spent up to now is 348.4 secs Computing kpt #: 244 total cpu time spent up to now is 349.8 secs Computing kpt #: 245 total cpu time spent up to now is 351.2 secs Computing kpt #: 246 total cpu time spent up to now is 352.6 secs Computing kpt #: 247 total cpu time spent up to now is 354.0 secs Computing kpt #: 248 total cpu time spent up to now is 355.4 secs Computing kpt #: 249 total cpu time spent up to now is 356.7 secs Computing kpt #: 250 total cpu time spent up to now is 358.1 secs Computing kpt #: 251 total cpu time spent up to now is 359.5 secs Computing kpt #: 252 total cpu time spent up to now is 360.9 secs Computing kpt #: 253 total cpu time spent up to now is 362.2 secs Computing kpt #: 254 total cpu time spent up to now is 363.6 secs Computing kpt #: 255 total cpu time spent up to now is 365.0 secs Computing kpt #: 256 total cpu time spent up to now is 366.4 secs Computing kpt #: 257 total cpu time spent up to now is 367.8 secs Computing kpt #: 258 total cpu time spent up to now is 369.2 secs Computing kpt #: 259 total cpu time spent up to now is 370.6 secs Computing kpt #: 260 total cpu time spent up to now is 372.0 secs Computing kpt #: 261 total cpu time spent up to now is 373.5 secs Computing kpt #: 262 total cpu time spent up to now is 374.9 secs Computing kpt #: 263 total cpu time spent up to now is 376.3 secs Computing kpt #: 264 total cpu time spent up to now is 377.7 secs Computing kpt #: 265 total cpu time spent up to now is 379.1 secs Computing kpt #: 266 total cpu time spent up to now is 380.6 secs Computing kpt #: 267 total cpu time spent up to now is 382.0 secs Computing kpt #: 268 total cpu time spent up to now is 383.5 secs Computing kpt #: 269 total cpu time spent up to now is 385.0 secs Computing kpt #: 270 total cpu time spent up to now is 386.5 secs Computing kpt #: 271 total cpu time spent up to now is 388.0 secs Computing kpt #: 272 total cpu time spent up to now is 389.5 secs Computing kpt #: 273 total cpu time spent up to now is 391.0 secs Computing kpt #: 274 total cpu time spent up to now is 392.5 secs Computing kpt #: 275 total cpu time spent up to now is 394.0 secs Computing kpt #: 276 total cpu time spent up to now is 395.5 secs Computing kpt #: 277 total cpu time spent up to now is 396.9 secs Computing kpt #: 278 total cpu time spent up to now is 398.4 secs ethr = 1.39E-08, avg # of iterations = 12.8 total cpu time spent up to now is 398.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12091 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7108 -21.7108 -21.6202 -21.6202 -20.1914 -20.1914 -19.8674 -19.8674 -19.8674 -19.8674 -19.5472 -19.5472 -19.5239 -19.5239 -19.4745 -19.4745 -10.3825 -10.3825 -10.3723 -10.3723 -10.3065 -10.3065 -10.2960 -10.2960 -8.0511 -8.0511 -7.9479 -7.9479 -2.7273 -2.7273 -2.7190 -2.7190 -2.6913 -2.6913 -2.6308 -2.6308 -2.4157 -2.4157 -2.4099 -2.4099 -1.7940 -1.7940 -1.7059 -1.7059 -1.7040 -1.7040 -1.0479 -1.0479 -1.0339 -1.0339 -0.9203 -0.9203 -0.6756 -0.6756 -0.6334 -0.6334 -0.4459 -0.4459 -0.2967 -0.2967 -0.2725 -0.2725 -0.2405 -0.2405 4.9943 4.9943 5.0545 5.0545 5.0799 5.0799 7.1123 7.1123 7.9156 7.9156 7.9166 7.9166 10.1158 10.1158 k = 0.0161 0.0093-0.0000 ( 12105 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7107 -21.7107 -21.6202 -21.6202 -20.1915 -20.1915 -19.8674 -19.8674 -19.8674 -19.8674 -19.5472 -19.5472 -19.5239 -19.5239 -19.4745 -19.4745 -10.3825 -10.3825 -10.3722 -10.3722 -10.3065 -10.3065 -10.2960 -10.2960 -8.0510 -8.0510 -7.9480 -7.9480 -2.7276 -2.7276 -2.7193 -2.7193 -2.6910 -2.6910 -2.6306 -2.6306 -2.4157 -2.4157 -2.4098 -2.4098 -1.7930 -1.7930 -1.7058 -1.7058 -1.7039 -1.7039 -1.0479 -1.0479 -1.0339 -1.0339 -0.9208 -0.9208 -0.6763 -0.6763 -0.6340 -0.6340 -0.4459 -0.4459 -0.2968 -0.2968 -0.2727 -0.2727 -0.2407 -0.2407 4.9944 4.9944 5.0546 5.0546 5.0800 5.0800 7.1143 7.1143 7.9149 7.9149 7.9164 7.9164 10.1154 10.1154 k = 0.0323 0.0186-0.0000 ( 12117 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7105 -21.7105 -21.6203 -21.6203 -20.1917 -20.1917 -19.8676 -19.8676 -19.8673 -19.8673 -19.5473 -19.5473 -19.5240 -19.5240 -19.4742 -19.4742 -10.3823 -10.3823 -10.3721 -10.3721 -10.3064 -10.3064 -10.2960 -10.2960 -8.0508 -8.0508 -7.9482 -7.9482 -2.7287 -2.7287 -2.7200 -2.7200 -2.6900 -2.6900 -2.6299 -2.6299 -2.4154 -2.4154 -2.4094 -2.4094 -1.7902 -1.7902 -1.7056 -1.7056 -1.7036 -1.7036 -1.0479 -1.0479 -1.0339 -1.0339 -0.9223 -0.9223 -0.6783 -0.6783 -0.6360 -0.6360 -0.4459 -0.4459 -0.2973 -0.2973 -0.2732 -0.2732 -0.2415 -0.2415 4.9949 4.9949 5.0550 5.0550 5.0804 5.0804 7.1205 7.1205 7.9120 7.9120 7.9164 7.9164 10.1140 10.1140 k = 0.0484 0.0279-0.0000 ( 12133 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7100 -21.7100 -21.6204 -21.6204 -20.1920 -20.1920 -19.8680 -19.8680 -19.8673 -19.8673 -19.5474 -19.5474 -19.5241 -19.5241 -19.4738 -19.4738 -10.3819 -10.3819 -10.3717 -10.3717 -10.3063 -10.3063 -10.2959 -10.2959 -8.0505 -8.0505 -7.9485 -7.9485 -2.7311 -2.7311 -2.7207 -2.7207 -2.6883 -2.6883 -2.6288 -2.6288 -2.4152 -2.4152 -2.4087 -2.4087 -1.7857 -1.7857 -1.7052 -1.7052 -1.7029 -1.7029 -1.0480 -1.0480 -1.0338 -1.0338 -0.9247 -0.9247 -0.6819 -0.6819 -0.6391 -0.6391 -0.4459 -0.4459 -0.2982 -0.2982 -0.2739 -0.2739 -0.2428 -0.2428 4.9957 4.9957 5.0557 5.0557 5.0811 5.0811 7.1306 7.1306 7.9070 7.9070 7.9167 7.9167 10.1115 10.1115 k = 0.0645 0.0372-0.0000 ( 12125 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7094 -21.7094 -21.6206 -21.6206 -20.1925 -20.1925 -19.8685 -19.8685 -19.8673 -19.8673 -19.5475 -19.5475 -19.5243 -19.5243 -19.4733 -19.4733 -10.3815 -10.3815 -10.3713 -10.3713 -10.3062 -10.3062 -10.2958 -10.2958 -8.0500 -8.0500 -7.9489 -7.9489 -2.7351 -2.7351 -2.7210 -2.7210 -2.6861 -2.6861 -2.6270 -2.6270 -2.4150 -2.4150 -2.4075 -2.4075 -1.7794 -1.7794 -1.7047 -1.7047 -1.7020 -1.7020 -1.0482 -1.0482 -1.0336 -1.0336 -0.9281 -0.9281 -0.6871 -0.6871 -0.6430 -0.6430 -0.4459 -0.4459 -0.2995 -0.2995 -0.2750 -0.2750 -0.2445 -0.2445 4.9968 4.9968 5.0565 5.0565 5.0821 5.0821 7.1448 7.1448 7.9001 7.9001 7.9171 7.9171 10.1079 10.1079 k = 0.0806 0.0466-0.0000 ( 12121 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7086 -21.7086 -21.6209 -21.6209 -20.1930 -20.1930 -19.8690 -19.8690 -19.8672 -19.8672 -19.5477 -19.5477 -19.5245 -19.5245 -19.4726 -19.4726 -10.3810 -10.3810 -10.3706 -10.3706 -10.3060 -10.3060 -10.2957 -10.2957 -8.0494 -8.0494 -7.9495 -7.9495 -2.7406 -2.7406 -2.7209 -2.7209 -2.6836 -2.6836 -2.6244 -2.6244 -2.4149 -2.4149 -2.4058 -2.4058 -1.7718 -1.7718 -1.7040 -1.7040 -1.7007 -1.7007 -1.0486 -1.0486 -1.0331 -1.0331 -0.9324 -0.9324 -0.6943 -0.6943 -0.6473 -0.6473 -0.4458 -0.4458 -0.3012 -0.3012 -0.2763 -0.2763 -0.2466 -0.2466 4.9981 4.9981 5.0576 5.0576 5.0835 5.0835 7.1628 7.1628 7.8915 7.8915 7.9176 7.9176 10.1030 10.1030 k = 0.0968 0.0559-0.0000 ( 12118 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7076 -21.7076 -21.6212 -21.6212 -20.1937 -20.1937 -19.8698 -19.8698 -19.8671 -19.8671 -19.5479 -19.5479 -19.5247 -19.5247 -19.4718 -19.4718 -10.3804 -10.3804 -10.3699 -10.3699 -10.3058 -10.3058 -10.2956 -10.2956 -8.0487 -8.0487 -7.9502 -7.9502 -2.7473 -2.7473 -2.7205 -2.7205 -2.6809 -2.6809 -2.6208 -2.6208 -2.4150 -2.4150 -2.4035 -2.4035 -1.7629 -1.7629 -1.7030 -1.7030 -1.6991 -1.6991 -1.0493 -1.0493 -1.0323 -1.0323 -0.9377 -0.9377 -0.7036 -0.7036 -0.6519 -0.6519 -0.4458 -0.4458 -0.3035 -0.3035 -0.2778 -0.2778 -0.2491 -0.2491 4.9998 4.9998 5.0588 5.0588 5.0851 5.0851 7.1847 7.1847 7.8813 7.8813 7.9182 7.9182 10.0965 10.0965 k = 0.1129 0.0652-0.0000 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7065 -21.7065 -21.6216 -21.6216 -20.1945 -20.1945 -19.8706 -19.8706 -19.8670 -19.8670 -19.5482 -19.5482 -19.5250 -19.5250 -19.4708 -19.4708 -10.3798 -10.3798 -10.3689 -10.3689 -10.3056 -10.3056 -10.2954 -10.2954 -8.0479 -8.0479 -7.9510 -7.9510 -2.7551 -2.7551 -2.7201 -2.7201 -2.6783 -2.6783 -2.6160 -2.6160 -2.4151 -2.4151 -2.4007 -2.4007 -1.7534 -1.7534 -1.7014 -1.7014 -1.6972 -1.6972 -1.0503 -1.0503 -1.0312 -1.0312 -0.9439 -0.9439 -0.7152 -0.7152 -0.6564 -0.6564 -0.4457 -0.4457 -0.3063 -0.3063 -0.2795 -0.2795 -0.2519 -0.2519 5.0016 5.0016 5.0601 5.0601 5.0872 5.0872 7.2103 7.2103 7.8697 7.8697 7.9189 7.9189 10.0883 10.0883 k = 0.1290 0.0745-0.0000 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7053 -21.7053 -21.6221 -21.6221 -20.1954 -20.1954 -19.8715 -19.8715 -19.8669 -19.8669 -19.5485 -19.5485 -19.5254 -19.5254 -19.4697 -19.4697 -10.3791 -10.3791 -10.3678 -10.3678 -10.3053 -10.3053 -10.2952 -10.2952 -8.0469 -8.0469 -7.9519 -7.9519 -2.7639 -2.7639 -2.7195 -2.7195 -2.6760 -2.6760 -2.6099 -2.6099 -2.4152 -2.4152 -2.3974 -2.3974 -1.7438 -1.7438 -1.6987 -1.6987 -1.6949 -1.6949 -1.0515 -1.0515 -1.0299 -1.0299 -0.9510 -0.9510 -0.7290 -0.7290 -0.6607 -0.6607 -0.4456 -0.4456 -0.3096 -0.3096 -0.2815 -0.2815 -0.2548 -0.2548 5.0036 5.0036 5.0614 5.0614 5.0896 5.0896 7.2394 7.2394 7.8571 7.8571 7.9197 7.9197 10.0778 10.0778 k = 0.1452 0.0838-0.0000 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7039 -21.7039 -21.6226 -21.6226 -20.1964 -20.1964 -19.8725 -19.8725 -19.8668 -19.8668 -19.5488 -19.5488 -19.5257 -19.5257 -19.4686 -19.4686 -10.3784 -10.3784 -10.3664 -10.3664 -10.3050 -10.3050 -10.2950 -10.2950 -8.0459 -8.0459 -7.9529 -7.9529 -2.7734 -2.7734 -2.7188 -2.7188 -2.6741 -2.6741 -2.6024 -2.6024 -2.4152 -2.4152 -2.3935 -2.3935 -1.7353 -1.7353 -1.6944 -1.6944 -1.6921 -1.6921 -1.0531 -1.0531 -1.0282 -1.0282 -0.9588 -0.9588 -0.7447 -0.7447 -0.6649 -0.6649 -0.4454 -0.4454 -0.3135 -0.3135 -0.2838 -0.2838 -0.2578 -0.2578 5.0057 5.0057 5.0629 5.0629 5.0923 5.0923 7.2719 7.2719 7.8437 7.8437 7.9206 7.9206 10.0650 10.0650 k = 0.1613 0.0931-0.0000 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7023 -21.7023 -21.6231 -21.6231 -20.1975 -20.1975 -19.8735 -19.8735 -19.8667 -19.8667 -19.5492 -19.5492 -19.5261 -19.5261 -19.4673 -19.4673 -10.3778 -10.3778 -10.3649 -10.3649 -10.3046 -10.3046 -10.2948 -10.2948 -8.0447 -8.0447 -7.9540 -7.9540 -2.7835 -2.7835 -2.7181 -2.7181 -2.6727 -2.6727 -2.5937 -2.5937 -2.4151 -2.4151 -2.3892 -2.3892 -1.7288 -1.7288 -1.6906 -1.6906 -1.6855 -1.6855 -1.0548 -1.0548 -1.0264 -1.0264 -0.9674 -0.9674 -0.7623 -0.7623 -0.6688 -0.6688 -0.4453 -0.4453 -0.3179 -0.3179 -0.2866 -0.2866 -0.2607 -0.2607 5.0079 5.0079 5.0644 5.0644 5.0954 5.0954 7.3074 7.3074 7.8298 7.8298 7.9215 7.9215 10.0494 10.0494 k = 0.1774 0.1024-0.0000 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7007 -21.7007 -21.6238 -21.6238 -20.1987 -20.1987 -19.8747 -19.8747 -19.8665 -19.8665 -19.5496 -19.5496 -19.5266 -19.5266 -19.4659 -19.4659 -10.3772 -10.3772 -10.3633 -10.3633 -10.3043 -10.3043 -10.2945 -10.2945 -8.0434 -8.0434 -7.9552 -7.9552 -2.7940 -2.7940 -2.7174 -2.7174 -2.6717 -2.6717 -2.5838 -2.5838 -2.4148 -2.4148 -2.3844 -2.3844 -1.7248 -1.7248 -1.6878 -1.6878 -1.6750 -1.6750 -1.0568 -1.0568 -1.0245 -1.0245 -0.9764 -0.9764 -0.7815 -0.7815 -0.6726 -0.6726 -0.4451 -0.4451 -0.3229 -0.3229 -0.2900 -0.2900 -0.2632 -0.2632 5.0102 5.0102 5.0659 5.0659 5.0987 5.0987 7.3456 7.3456 7.8159 7.8159 7.9226 7.9226 10.0306 10.0306 k = 0.1935 0.1117-0.0000 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6989 -21.6989 -21.6244 -21.6244 -20.1999 -20.1999 -19.8758 -19.8758 -19.8664 -19.8664 -19.5500 -19.5500 -19.5270 -19.5270 -19.4645 -19.4645 -10.3766 -10.3766 -10.3615 -10.3615 -10.3039 -10.3039 -10.2943 -10.2943 -8.0420 -8.0420 -7.9565 -7.9565 -2.8048 -2.8048 -2.7167 -2.7167 -2.6710 -2.6710 -2.5729 -2.5729 -2.4142 -2.4142 -2.3792 -2.3792 -1.7225 -1.7225 -1.6849 -1.6849 -1.6620 -1.6620 -1.0588 -1.0588 -1.0230 -1.0230 -0.9856 -0.9856 -0.8020 -0.8020 -0.6763 -0.6763 -0.4449 -0.4449 -0.3282 -0.3282 -0.2941 -0.2941 -0.2654 -0.2654 5.0125 5.0125 5.0675 5.0675 5.1024 5.1024 7.3859 7.3859 7.8028 7.8028 7.9237 7.9237 10.0084 10.0084 k = 0.2097 0.1211-0.0000 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6970 -21.6970 -21.6252 -21.6252 -20.2012 -20.2012 -19.8770 -19.8770 -19.8663 -19.8663 -19.5505 -19.5505 -19.5274 -19.5274 -19.4630 -19.4630 -10.3760 -10.3760 -10.3595 -10.3595 -10.3035 -10.3035 -10.2940 -10.2940 -8.0406 -8.0406 -7.9579 -7.9579 -2.8158 -2.8158 -2.7160 -2.7160 -2.6707 -2.6707 -2.5613 -2.5613 -2.4132 -2.4132 -2.3736 -2.3736 -1.7214 -1.7214 -1.6820 -1.6820 -1.6476 -1.6476 -1.0610 -1.0610 -1.0227 -1.0227 -0.9941 -0.9941 -0.8238 -0.8238 -0.6797 -0.6797 -0.4447 -0.4447 -0.3340 -0.3340 -0.2987 -0.2987 -0.2672 -0.2672 5.0148 5.0148 5.0691 5.0691 5.1062 5.1062 7.4274 7.4274 7.7912 7.7912 7.9248 7.9248 9.9824 9.9824 k = 0.2258 0.1304-0.0000 ( 12102 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6950 -21.6950 -21.6260 -21.6260 -20.2025 -20.2025 -19.8783 -19.8783 -19.8661 -19.8661 -19.5510 -19.5510 -19.5279 -19.5279 -19.4615 -19.4615 -10.3754 -10.3754 -10.3575 -10.3575 -10.3031 -10.3031 -10.2938 -10.2938 -8.0390 -8.0390 -7.9594 -7.9594 -2.8268 -2.8268 -2.7153 -2.7153 -2.6706 -2.6706 -2.5494 -2.5494 -2.4115 -2.4115 -2.3676 -2.3676 -1.7210 -1.7210 -1.6790 -1.6790 -1.6324 -1.6324 -1.0632 -1.0632 -1.0252 -1.0252 -1.0000 -1.0000 -0.8464 -0.8464 -0.6830 -0.6830 -0.4444 -0.4444 -0.3401 -0.3401 -0.3040 -0.3040 -0.2686 -0.2686 5.0169 5.0169 5.0707 5.0707 5.1102 5.1102 7.4688 7.4688 7.7827 7.7827 7.9260 7.9260 9.9524 9.9524 k = 0.2419 0.1397-0.0000 ( 12100 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6930 -21.6930 -21.6268 -21.6268 -20.2038 -20.2038 -19.8795 -19.8795 -19.8660 -19.8660 -19.5515 -19.5515 -19.5283 -19.5283 -19.4600 -19.4600 -10.3749 -10.3749 -10.3555 -10.3555 -10.3027 -10.3027 -10.2935 -10.2935 -8.0374 -8.0374 -7.9609 -7.9609 -2.8377 -2.8377 -2.7147 -2.7147 -2.6707 -2.6707 -2.5374 -2.5374 -2.4089 -2.4089 -2.3613 -2.3613 -1.7211 -1.7211 -1.6761 -1.6761 -1.6168 -1.6168 -1.0655 -1.0655 -1.0321 -1.0321 -1.0017 -1.0017 -0.8698 -0.8698 -0.6861 -0.6861 -0.4441 -0.4441 -0.3465 -0.3465 -0.3097 -0.3097 -0.2697 -0.2697 5.0190 5.0190 5.0725 5.0725 5.1143 5.1143 7.5077 7.5077 7.7796 7.7796 7.9272 7.9272 9.9181 9.9181 k = 0.2581 0.1490-0.0000 ( 12100 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6908 -21.6908 -21.6277 -21.6277 -20.2052 -20.2052 -19.8807 -19.8807 -19.8658 -19.8658 -19.5520 -19.5520 -19.5288 -19.5288 -19.4584 -19.4584 -10.3744 -10.3744 -10.3534 -10.3534 -10.3022 -10.3022 -10.2933 -10.2933 -8.0357 -8.0357 -7.9625 -7.9625 -2.8485 -2.8485 -2.7142 -2.7142 -2.6709 -2.6709 -2.5259 -2.5259 -2.4052 -2.4052 -2.3548 -2.3548 -1.7216 -1.7216 -1.6731 -1.6731 -1.6012 -1.6012 -1.0680 -1.0680 -1.0418 -1.0418 -1.0007 -1.0007 -0.8936 -0.8936 -0.6889 -0.6889 -0.4438 -0.4438 -0.3531 -0.3531 -0.3157 -0.3157 -0.2706 -0.2706 5.0210 5.0210 5.0742 5.0742 5.1185 5.1185 7.5407 7.5407 7.7853 7.7853 7.9284 7.9284 9.8795 9.8795 k = 0.2742 0.1583-0.0000 ( 12096 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6887 -21.6887 -21.6287 -21.6287 -20.2065 -20.2065 -19.8819 -19.8819 -19.8657 -19.8657 -19.5525 -19.5525 -19.5292 -19.5292 -19.4569 -19.4569 -10.3739 -10.3739 -10.3513 -10.3513 -10.3018 -10.3018 -10.2930 -10.2930 -8.0340 -8.0340 -7.9642 -7.9642 -2.8589 -2.8589 -2.7137 -2.7137 -2.6713 -2.6713 -2.5152 -2.5152 -2.4001 -2.4001 -2.3480 -2.3480 -1.7223 -1.7223 -1.6701 -1.6701 -1.5857 -1.5857 -1.0709 -1.0709 -1.0524 -1.0524 -0.9986 -0.9986 -0.9175 -0.9175 -0.6916 -0.6916 -0.4436 -0.4436 -0.3598 -0.3598 -0.3220 -0.3220 -0.2712 -0.2712 5.0228 5.0228 5.0761 5.0761 5.1226 5.1226 7.5639 7.5639 7.8036 7.8036 7.9296 7.9296 9.8365 9.8365 k = 0.2903 0.1676-0.0000 ( 12106 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6865 -21.6865 -21.6297 -21.6297 -20.2079 -20.2079 -19.8831 -19.8831 -19.8655 -19.8655 -19.5531 -19.5531 -19.5297 -19.5297 -19.4554 -19.4554 -10.3734 -10.3734 -10.3492 -10.3492 -10.3014 -10.3014 -10.2928 -10.2928 -8.0322 -8.0322 -7.9659 -7.9659 -2.8690 -2.8690 -2.7133 -2.7133 -2.6717 -2.6717 -2.5057 -2.5057 -2.3934 -2.3934 -2.3411 -2.3411 -1.7232 -1.7232 -1.6673 -1.6673 -1.5707 -1.5707 -1.0753 -1.0753 -1.0620 -1.0620 -0.9961 -0.9961 -0.9412 -0.9412 -0.6941 -0.6941 -0.4432 -0.4432 -0.3666 -0.3666 -0.3284 -0.3284 -0.2718 -0.2718 5.0245 5.0245 5.0779 5.0779 5.1267 5.1267 7.5758 7.5758 7.8362 7.8362 7.9308 7.9308 9.7891 9.7891 k = 0.3065 0.1769-0.0000 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6843 -21.6843 -21.6308 -21.6308 -20.2092 -20.2092 -19.8842 -19.8842 -19.8654 -19.8654 -19.5536 -19.5536 -19.5301 -19.5301 -19.4540 -19.4540 -10.3730 -10.3730 -10.3471 -10.3471 -10.3009 -10.3009 -10.2925 -10.2925 -8.0304 -8.0304 -7.9676 -7.9676 -2.8786 -2.8786 -2.7129 -2.7129 -2.6722 -2.6722 -2.4978 -2.4978 -2.3848 -2.3848 -2.3341 -2.3341 -1.7242 -1.7242 -1.6645 -1.6645 -1.5563 -1.5563 -1.0833 -1.0833 -1.0679 -1.0679 -0.9944 -0.9944 -0.9635 -0.9635 -0.6963 -0.6963 -0.4429 -0.4429 -0.3734 -0.3734 -0.3348 -0.3348 -0.2722 -0.2722 5.0260 5.0260 5.0798 5.0798 5.1308 5.1308 7.5782 7.5782 7.8809 7.8809 7.9320 7.9320 9.7378 9.7378 k = 0.3226 0.1862-0.0000 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6820 -21.6820 -21.6319 -21.6319 -20.2105 -20.2105 -19.8853 -19.8853 -19.8652 -19.8652 -19.5541 -19.5541 -19.5305 -19.5305 -19.4526 -19.4526 -10.3726 -10.3726 -10.3451 -10.3451 -10.3005 -10.3005 -10.2923 -10.2923 -8.0286 -8.0286 -7.9694 -7.9694 -2.8877 -2.8877 -2.7126 -2.7126 -2.6726 -2.6726 -2.4915 -2.4915 -2.3747 -2.3747 -2.3271 -2.3271 -1.7255 -1.7255 -1.6619 -1.6619 -1.5426 -1.5426 -1.0939 -1.0939 -1.0710 -1.0710 -0.9987 -0.9987 -0.9792 -0.9792 -0.6984 -0.6984 -0.4426 -0.4426 -0.3801 -0.3801 -0.3412 -0.3412 -0.2726 -0.2726 5.0273 5.0273 5.0817 5.0817 5.1346 5.1346 7.5747 7.5747 7.9330 7.9330 7.9345 7.9345 9.6826 9.6826 k = 0.3387 0.1956-0.0000 ( 12118 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6798 -21.6798 -21.6330 -21.6330 -20.2117 -20.2117 -19.8863 -19.8863 -19.8651 -19.8651 -19.5546 -19.5546 -19.5309 -19.5309 -19.4513 -19.4513 -10.3722 -10.3722 -10.3432 -10.3432 -10.3001 -10.3001 -10.2921 -10.2921 -8.0267 -8.0267 -7.9712 -7.9712 -2.8963 -2.8963 -2.7124 -2.7124 -2.6731 -2.6731 -2.4867 -2.4867 -2.3631 -2.3631 -2.3203 -2.3203 -1.7268 -1.7268 -1.6594 -1.6594 -1.5298 -1.5298 -1.1052 -1.1052 -1.0729 -1.0729 -1.0158 -1.0158 -0.9813 -0.9813 -0.7002 -0.7002 -0.4422 -0.4422 -0.3866 -0.3866 -0.3474 -0.3474 -0.2729 -0.2729 5.0284 5.0284 5.0835 5.0835 5.1383 5.1383 7.5678 7.5678 7.9343 7.9343 7.9935 7.9935 9.6241 9.6241 k = 0.3548 0.2049-0.0000 ( 12124 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6777 -21.6777 -21.6342 -21.6342 -20.2128 -20.2128 -19.8872 -19.8872 -19.8650 -19.8650 -19.5550 -19.5550 -19.5312 -19.5312 -19.4500 -19.4500 -10.3718 -10.3718 -10.3414 -10.3414 -10.2997 -10.2997 -10.2920 -10.2920 -8.0249 -8.0249 -7.9729 -7.9729 -2.9041 -2.9041 -2.7122 -2.7122 -2.6736 -2.6736 -2.4832 -2.4832 -2.3508 -2.3508 -2.3136 -2.3136 -1.7283 -1.7283 -1.6570 -1.6570 -1.5180 -1.5180 -1.1164 -1.1164 -1.0744 -1.0744 -1.0360 -1.0360 -0.9793 -0.9793 -0.7018 -0.7018 -0.4419 -0.4419 -0.3929 -0.3929 -0.3533 -0.3533 -0.2731 -0.2731 5.0294 5.0294 5.0853 5.0853 5.1418 5.1418 7.5594 7.5594 7.9353 7.9353 8.0565 8.0565 9.5628 9.5628 k = 0.3710 0.2142-0.0000 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6755 -21.6755 -21.6354 -21.6354 -20.2139 -20.2139 -19.8881 -19.8881 -19.8649 -19.8649 -19.5555 -19.5555 -19.5315 -19.5315 -19.4489 -19.4489 -10.3715 -10.3715 -10.3398 -10.3398 -10.2993 -10.2993 -10.2918 -10.2918 -8.0231 -8.0231 -7.9747 -7.9747 -2.9113 -2.9113 -2.7120 -2.7120 -2.6741 -2.6741 -2.4807 -2.4807 -2.3381 -2.3381 -2.3072 -2.3072 -1.7298 -1.7298 -1.6549 -1.6549 -1.5073 -1.5073 -1.1270 -1.1270 -1.0756 -1.0756 -1.0554 -1.0554 -0.9766 -0.9766 -0.7032 -0.7032 -0.4415 -0.4415 -0.3988 -0.3988 -0.3589 -0.3589 -0.2733 -0.2733 5.0303 5.0303 5.0870 5.0870 5.1450 5.1450 7.5504 7.5504 7.9363 7.9363 8.1219 8.1219 9.4994 9.4994 k = 0.3871 0.2235-0.0000 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6735 -21.6735 -21.6366 -21.6366 -20.2148 -20.2148 -19.8889 -19.8889 -19.8648 -19.8648 -19.5559 -19.5559 -19.5318 -19.5318 -19.4479 -19.4479 -10.3712 -10.3712 -10.3383 -10.3383 -10.2990 -10.2990 -10.2917 -10.2917 -8.0214 -8.0214 -7.9764 -7.9764 -2.9177 -2.9177 -2.7119 -2.7119 -2.6745 -2.6745 -2.4789 -2.4789 -2.3256 -2.3256 -2.3011 -2.3011 -1.7314 -1.7314 -1.6530 -1.6530 -1.4978 -1.4978 -1.1369 -1.1369 -1.0779 -1.0779 -1.0721 -1.0721 -0.9739 -0.9739 -0.7045 -0.7045 -0.4412 -0.4412 -0.4043 -0.4043 -0.3641 -0.3641 -0.2735 -0.2735 5.0310 5.0310 5.0885 5.0885 5.1479 5.1479 7.5417 7.5417 7.9371 7.9371 8.1884 8.1884 9.4346 9.4346 k = 0.4032 0.2328-0.0000 ( 12106 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6716 -21.6716 -21.6377 -21.6377 -20.2157 -20.2157 -19.8896 -19.8896 -19.8647 -19.8647 -19.5562 -19.5562 -19.5321 -19.5321 -19.4470 -19.4470 -10.3709 -10.3709 -10.3369 -10.3369 -10.2986 -10.2986 -10.2916 -10.2916 -8.0197 -8.0197 -7.9780 -7.9780 -2.9234 -2.9234 -2.7118 -2.7118 -2.6749 -2.6749 -2.4777 -2.4777 -2.3140 -2.3140 -2.2952 -2.2952 -1.7330 -1.7330 -1.6513 -1.6513 -1.4896 -1.4896 -1.1459 -1.1459 -1.0909 -1.0909 -1.0761 -1.0761 -0.9713 -0.9713 -0.7055 -0.7055 -0.4408 -0.4408 -0.4094 -0.4094 -0.3688 -0.3688 -0.2736 -0.2736 5.0316 5.0316 5.0899 5.0899 5.1505 5.1505 7.5336 7.5336 7.9379 7.9379 8.2551 8.2551 9.3694 9.3694 k = 0.4194 0.2421-0.0000 ( 12106 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6698 -21.6698 -21.6389 -21.6389 -20.2164 -20.2164 -19.8901 -19.8901 -19.8646 -19.8646 -19.5566 -19.5566 -19.5323 -19.5323 -19.4462 -19.4462 -10.3707 -10.3707 -10.3358 -10.3358 -10.2983 -10.2983 -10.2915 -10.2915 -8.0181 -8.0181 -7.9795 -7.9795 -2.9282 -2.9282 -2.7117 -2.7117 -2.6752 -2.6752 -2.4769 -2.4769 -2.3038 -2.3038 -2.2896 -2.2896 -1.7345 -1.7345 -1.6499 -1.6499 -1.4827 -1.4827 -1.1539 -1.1539 -1.1048 -1.1048 -1.0768 -1.0768 -0.9691 -0.9691 -0.7063 -0.7063 -0.4404 -0.4404 -0.4138 -0.4138 -0.3729 -0.3729 -0.2737 -0.2737 5.0321 5.0321 5.0912 5.0912 5.1527 5.1527 7.5263 7.5263 7.9386 7.9386 8.3206 8.3206 9.3051 9.3051 k = 0.4355 0.2514-0.0000 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6682 -21.6682 -21.6399 -21.6399 -20.2171 -20.2171 -19.8906 -19.8906 -19.8645 -19.8645 -19.5568 -19.5568 -19.5325 -19.5325 -19.4455 -19.4455 -10.3705 -10.3705 -10.3348 -10.3348 -10.2981 -10.2981 -10.2915 -10.2915 -8.0168 -8.0168 -7.9808 -7.9808 -2.9322 -2.9322 -2.7117 -2.7117 -2.6755 -2.6755 -2.4763 -2.4763 -2.2958 -2.2958 -2.2839 -2.2839 -1.7359 -1.7359 -1.6487 -1.6487 -1.4771 -1.4771 -1.1606 -1.1606 -1.1166 -1.1166 -1.0771 -1.0771 -0.9671 -0.9671 -0.7070 -0.7070 -0.4400 -0.4400 -0.4177 -0.4177 -0.3764 -0.3764 -0.2738 -0.2738 5.0325 5.0325 5.0922 5.0922 5.1545 5.1545 7.5201 7.5201 7.9392 7.9392 8.3830 8.3830 9.2435 9.2435 k = 0.4516 0.2607-0.0000 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6668 -21.6668 -21.6408 -21.6408 -20.2175 -20.2175 -19.8910 -19.8910 -19.8645 -19.8645 -19.5570 -19.5570 -19.5326 -19.5326 -19.4450 -19.4450 -10.3704 -10.3704 -10.3341 -10.3341 -10.2979 -10.2979 -10.2914 -10.2914 -8.0156 -8.0156 -7.9820 -7.9820 -2.9354 -2.9354 -2.7117 -2.7117 -2.6758 -2.6758 -2.4760 -2.4760 -2.2902 -2.2902 -2.2784 -2.2784 -1.7371 -1.7371 -1.6477 -1.6477 -1.4727 -1.4727 -1.1661 -1.1661 -1.1260 -1.1260 -1.0773 -1.0773 -0.9656 -0.9656 -0.7075 -0.7075 -0.4395 -0.4395 -0.4208 -0.4208 -0.3792 -0.3792 -0.2739 -0.2739 5.0328 5.0328 5.0930 5.0930 5.1560 5.1560 7.5152 7.5152 7.9396 7.9396 8.4397 8.4397 9.1873 9.1873 k = 0.4677 0.2701-0.0000 ( 12106 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6658 -21.6658 -21.6416 -21.6416 -20.2179 -20.2179 -19.8913 -19.8913 -19.8644 -19.8644 -19.5572 -19.5572 -19.5327 -19.5327 -19.4446 -19.4446 -10.3703 -10.3703 -10.3335 -10.3335 -10.2977 -10.2977 -10.2914 -10.2914 -8.0147 -8.0147 -7.9828 -7.9828 -2.9376 -2.9376 -2.7116 -2.7116 -2.6759 -2.6759 -2.4758 -2.4758 -2.2868 -2.2868 -2.2737 -2.2737 -1.7380 -1.7380 -1.6470 -1.6470 -1.4697 -1.4697 -1.1701 -1.1701 -1.1327 -1.1327 -1.0774 -1.0774 -0.9644 -0.9644 -0.7079 -0.7079 -0.4392 -0.4392 -0.4232 -0.4232 -0.3812 -0.3812 -0.2739 -0.2739 5.0330 5.0330 5.0936 5.0936 5.1570 5.1570 7.5117 7.5117 7.9399 7.9399 8.4869 8.4869 9.1405 9.1405 k = 0.4839 0.2794-0.0000 ( 12108 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6652 -21.6652 -21.6420 -21.6420 -20.2181 -20.2181 -19.8915 -19.8915 -19.8644 -19.8644 -19.5573 -19.5573 -19.5328 -19.5328 -19.4444 -19.4444 -10.3702 -10.3702 -10.3332 -10.3332 -10.2976 -10.2976 -10.2914 -10.2914 -8.0142 -8.0142 -7.9834 -7.9834 -2.9390 -2.9390 -2.7116 -2.7116 -2.6760 -2.6760 -2.4756 -2.4756 -2.2848 -2.2848 -2.2705 -2.2705 -1.7385 -1.7385 -1.6466 -1.6466 -1.4679 -1.4679 -1.1725 -1.1725 -1.1367 -1.1367 -1.0775 -1.0775 -0.9637 -0.9637 -0.7081 -0.7081 -0.4389 -0.4389 -0.4247 -0.4247 -0.3824 -0.3824 -0.2739 -0.2739 5.0331 5.0331 5.0940 5.0940 5.1577 5.1577 7.5095 7.5095 7.9401 7.9401 8.5191 8.5191 9.1086 9.1086 k = 0.5000 0.2887-0.0000 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6649 -21.6649 -21.6422 -21.6422 -20.2182 -20.2182 -19.8915 -19.8915 -19.8644 -19.8644 -19.5573 -19.5573 -19.5328 -19.5328 -19.4443 -19.4443 -10.3702 -10.3702 -10.3331 -10.3331 -10.2976 -10.2976 -10.2914 -10.2914 -8.0140 -8.0140 -7.9836 -7.9836 -2.9394 -2.9394 -2.7116 -2.7116 -2.6761 -2.6761 -2.4756 -2.4756 -2.2842 -2.2842 -2.2695 -2.2695 -1.7387 -1.7387 -1.6465 -1.6465 -1.4672 -1.4672 -1.1733 -1.1733 -1.1381 -1.1381 -1.0775 -1.0775 -0.9635 -0.9635 -0.7082 -0.7082 -0.4388 -0.4388 -0.4252 -0.4252 -0.3828 -0.3828 -0.2740 -0.2740 5.0332 5.0332 5.0941 5.0941 5.1579 5.1579 7.5088 7.5088 7.9402 7.9402 8.5307 8.5307 9.0970 9.0970 k = 0.5000 0.2887-0.0000 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6649 -21.6649 -21.6422 -21.6422 -20.2182 -20.2182 -19.8915 -19.8915 -19.8644 -19.8644 -19.5573 -19.5573 -19.5328 -19.5328 -19.4443 -19.4443 -10.3702 -10.3702 -10.3331 -10.3331 -10.2976 -10.2976 -10.2914 -10.2914 -8.0140 -8.0140 -7.9836 -7.9836 -2.9394 -2.9394 -2.7116 -2.7116 -2.6761 -2.6761 -2.4756 -2.4756 -2.2842 -2.2842 -2.2695 -2.2695 -1.7387 -1.7387 -1.6465 -1.6465 -1.4672 -1.4672 -1.1733 -1.1733 -1.1381 -1.1381 -1.0775 -1.0775 -0.9635 -0.9635 -0.7082 -0.7082 -0.4388 -0.4388 -0.4252 -0.4252 -0.3828 -0.3828 -0.2740 -0.2740 5.0332 5.0332 5.0941 5.0941 5.1579 5.1579 7.5088 7.5088 7.9402 7.9402 8.5307 8.5307 9.0970 9.0970 k = 0.4907 0.3047-0.0000 ( 12100 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6649 -21.6649 -21.6422 -21.6422 -20.2182 -20.2182 -19.8915 -19.8915 -19.8645 -19.8645 -19.5573 -19.5573 -19.5328 -19.5328 -19.4443 -19.4443 -10.3701 -10.3701 -10.3331 -10.3331 -10.2981 -10.2981 -10.2909 -10.2909 -8.0139 -8.0139 -7.9836 -7.9836 -2.9390 -2.9390 -2.7122 -2.7122 -2.6761 -2.6761 -2.4752 -2.4752 -2.2845 -2.2845 -2.2697 -2.2697 -1.7381 -1.7381 -1.6465 -1.6465 -1.4671 -1.4671 -1.1732 -1.1732 -1.1375 -1.1375 -1.0774 -1.0774 -0.9638 -0.9638 -0.7094 -0.7094 -0.4388 -0.4388 -0.4250 -0.4250 -0.3827 -0.3827 -0.2743 -0.2743 5.0334 5.0334 5.0942 5.0942 5.1578 5.1578 7.5094 7.5094 7.9381 7.9381 8.5336 8.5336 9.0979 9.0979 k = 0.4815 0.3208-0.0000 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6647 -21.6647 -21.6423 -21.6423 -20.2183 -20.2183 -19.8913 -19.8913 -19.8647 -19.8647 -19.5573 -19.5573 -19.5328 -19.5328 -19.4443 -19.4443 -10.3699 -10.3699 -10.3331 -10.3331 -10.2993 -10.2993 -10.2897 -10.2897 -8.0138 -8.0138 -7.9838 -7.9838 -2.9377 -2.9377 -2.7141 -2.7141 -2.6762 -2.6762 -2.4739 -2.4739 -2.2855 -2.2855 -2.2703 -2.2703 -1.7365 -1.7365 -1.6467 -1.6467 -1.4666 -1.4666 -1.1727 -1.1727 -1.1359 -1.1359 -1.0771 -1.0771 -0.9647 -0.9647 -0.7129 -0.7129 -0.4390 -0.4390 -0.4242 -0.4242 -0.3825 -0.3825 -0.2753 -0.2753 5.0341 5.0341 5.0943 5.0943 5.1575 5.1575 7.5114 7.5114 7.9321 7.9321 8.5422 8.5422 9.1005 9.1005 k = 0.4722 0.3368-0.0000 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6645 -21.6645 -21.6424 -21.6424 -20.2184 -20.2184 -19.8911 -19.8911 -19.8650 -19.8650 -19.5572 -19.5572 -19.5329 -19.5329 -19.4442 -19.4442 -10.3696 -10.3696 -10.3331 -10.3331 -10.3008 -10.3008 -10.2883 -10.2883 -8.0135 -8.0135 -7.9840 -7.9840 -2.9355 -2.9355 -2.7171 -2.7171 -2.6765 -2.6765 -2.4717 -2.4717 -2.2871 -2.2871 -2.2714 -2.2714 -1.7337 -1.7337 -1.6469 -1.6469 -1.4659 -1.4659 -1.1720 -1.1720 -1.1331 -1.1331 -1.0766 -1.0766 -0.9662 -0.9662 -0.7186 -0.7186 -0.4393 -0.4393 -0.4229 -0.4229 -0.3821 -0.3821 -0.2770 -0.2770 5.0352 5.0352 5.0946 5.0946 5.1569 5.1569 7.5147 7.5147 7.9225 7.9225 8.5561 8.5561 9.1049 9.1049 k = 0.4630 0.3528-0.0000 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6642 -21.6642 -21.6426 -21.6426 -20.2185 -20.2185 -19.8908 -19.8908 -19.8655 -19.8655 -19.5571 -19.5571 -19.5329 -19.5329 -19.4441 -19.4441 -10.3692 -10.3692 -10.3331 -10.3331 -10.3024 -10.3024 -10.2868 -10.2868 -8.0132 -8.0132 -7.9844 -7.9844 -2.9326 -2.9326 -2.7212 -2.7212 -2.6767 -2.6767 -2.4686 -2.4686 -2.2894 -2.2894 -2.2728 -2.2728 -1.7300 -1.7300 -1.6472 -1.6472 -1.4648 -1.4648 -1.1711 -1.1711 -1.1293 -1.1293 -1.0759 -1.0759 -0.9682 -0.9682 -0.7267 -0.7267 -0.4396 -0.4396 -0.4212 -0.4212 -0.3815 -0.3815 -0.2793 -0.2793 5.0367 5.0367 5.0950 5.0950 5.1562 5.1562 7.5192 7.5192 7.9097 7.9097 8.5749 8.5749 9.1108 9.1108 k = 0.4537 0.3689-0.0000 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6638 -21.6638 -21.6428 -21.6428 -20.2187 -20.2187 -19.8905 -19.8905 -19.8662 -19.8662 -19.5570 -19.5570 -19.5330 -19.5330 -19.4440 -19.4440 -10.3686 -10.3686 -10.3331 -10.3331 -10.3040 -10.3040 -10.2852 -10.2852 -8.0127 -8.0127 -7.9848 -7.9848 -2.9289 -2.9289 -2.7265 -2.7265 -2.6770 -2.6770 -2.4647 -2.4647 -2.2922 -2.2922 -2.2746 -2.2746 -1.7255 -1.7255 -1.6476 -1.6476 -1.4635 -1.4635 -1.1699 -1.1699 -1.1243 -1.1243 -1.0749 -1.0749 -0.9708 -0.9708 -0.7368 -0.7368 -0.4400 -0.4400 -0.4191 -0.4191 -0.3808 -0.3808 -0.2822 -0.2822 5.0385 5.0385 5.0955 5.0955 5.1553 5.1553 7.5249 7.5249 7.8945 7.8945 8.5979 8.5979 9.1183 9.1183 k = 0.4444 0.3849-0.0000 ( 12114 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6633 -21.6633 -21.6431 -21.6431 -20.2190 -20.2190 -19.8900 -19.8900 -19.8669 -19.8669 -19.5569 -19.5569 -19.5331 -19.5331 -19.4438 -19.4438 -10.3680 -10.3680 -10.3331 -10.3331 -10.3057 -10.3057 -10.2837 -10.2837 -8.0122 -8.0122 -7.9853 -7.9853 -2.9244 -2.9244 -2.7327 -2.7327 -2.6773 -2.6773 -2.4599 -2.4599 -2.2956 -2.2956 -2.2767 -2.2767 -1.7203 -1.7203 -1.6481 -1.6481 -1.4618 -1.4618 -1.1685 -1.1685 -1.1183 -1.1183 -1.0737 -1.0737 -0.9738 -0.9738 -0.7489 -0.7489 -0.4404 -0.4404 -0.4166 -0.4166 -0.3799 -0.3799 -0.2858 -0.2858 5.0406 5.0406 5.0961 5.0961 5.1542 5.1542 7.5318 7.5318 7.8774 7.8774 8.6245 8.6245 9.1271 9.1271 k = 0.4352 0.4009-0.0000 ( 12118 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6627 -21.6627 -21.6434 -21.6434 -20.2192 -20.2192 -19.8895 -19.8895 -19.8677 -19.8677 -19.5567 -19.5567 -19.5331 -19.5331 -19.4437 -19.4437 -10.3672 -10.3672 -10.3330 -10.3330 -10.3073 -10.3073 -10.2822 -10.2822 -8.0115 -8.0115 -7.9860 -7.9860 -2.9192 -2.9192 -2.7398 -2.7398 -2.6776 -2.6776 -2.4543 -2.4543 -2.2996 -2.2996 -2.2791 -2.2791 -1.7147 -1.7147 -1.6488 -1.6488 -1.4600 -1.4600 -1.1669 -1.1669 -1.1112 -1.1112 -1.0721 -1.0721 -0.9773 -0.9773 -0.7629 -0.7629 -0.4408 -0.4408 -0.4138 -0.4138 -0.3789 -0.3789 -0.2899 -0.2899 5.0430 5.0430 5.0969 5.0969 5.1529 5.1529 7.5397 7.5397 7.8590 7.8590 8.6543 8.6543 9.1371 9.1371 k = 0.4259 0.4170-0.0000 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6621 -21.6621 -21.6438 -21.6438 -20.2195 -20.2195 -19.8889 -19.8889 -19.8687 -19.8687 -19.5566 -19.5566 -19.5332 -19.5332 -19.4435 -19.4435 -10.3664 -10.3664 -10.3330 -10.3330 -10.3089 -10.3089 -10.2808 -10.2808 -8.0108 -8.0108 -7.9867 -7.9867 -2.9135 -2.9135 -2.7477 -2.7477 -2.6779 -2.6779 -2.4478 -2.4478 -2.3039 -2.3039 -2.2818 -2.2818 -1.7088 -1.7088 -1.6495 -1.6495 -1.4579 -1.4579 -1.1651 -1.1651 -1.1031 -1.1031 -1.0703 -1.0703 -0.9812 -0.9812 -0.7786 -0.7786 -0.4412 -0.4412 -0.4108 -0.4108 -0.3777 -0.3777 -0.2945 -0.2945 5.0454 5.0454 5.0978 5.0978 5.1514 5.1514 7.5486 7.5486 7.8397 7.8397 8.6867 8.6867 9.1478 9.1478 k = 0.4167 0.4330-0.0000 ( 12108 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6613 -21.6613 -21.6443 -21.6443 -20.2198 -20.2198 -19.8882 -19.8882 -19.8697 -19.8697 -19.5565 -19.5565 -19.5333 -19.5333 -19.4433 -19.4433 -10.3656 -10.3656 -10.3329 -10.3329 -10.3105 -10.3105 -10.2795 -10.2795 -8.0099 -8.0099 -7.9875 -7.9875 -2.9072 -2.9072 -2.7561 -2.7561 -2.6782 -2.6782 -2.4406 -2.4406 -2.3087 -2.3087 -2.2848 -2.2848 -1.7027 -1.7027 -1.6503 -1.6503 -1.4556 -1.4556 -1.1632 -1.1632 -1.0941 -1.0941 -1.0682 -1.0682 -0.9855 -0.9855 -0.7958 -0.7958 -0.4417 -0.4417 -0.4075 -0.4075 -0.3764 -0.3764 -0.2997 -0.2997 5.0479 5.0479 5.0989 5.0989 5.1499 5.1499 7.5583 7.5583 7.8199 7.8199 8.7213 8.7213 9.1589 9.1589 k = 0.4074 0.4491-0.0000 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6605 -21.6605 -21.6448 -21.6448 -20.2201 -20.2201 -19.8875 -19.8875 -19.8708 -19.8708 -19.5563 -19.5563 -19.5334 -19.5334 -19.4431 -19.4431 -10.3648 -10.3648 -10.3327 -10.3327 -10.3120 -10.3120 -10.2783 -10.2783 -8.0090 -8.0090 -7.9884 -7.9884 -2.9004 -2.9004 -2.7651 -2.7651 -2.6785 -2.6785 -2.4326 -2.4326 -2.3137 -2.3137 -2.2881 -2.2881 -1.6967 -1.6967 -1.6513 -1.6513 -1.4532 -1.4532 -1.1611 -1.1611 -1.0843 -1.0843 -1.0656 -1.0656 -0.9899 -0.9899 -0.8142 -0.8142 -0.4421 -0.4421 -0.4041 -0.4041 -0.3748 -0.3748 -0.3052 -0.3052 5.0504 5.0504 5.1002 5.1002 5.1482 5.1482 7.5689 7.5689 7.8001 7.8001 8.7579 8.7579 9.1698 9.1698 k = 0.3981 0.4651-0.0000 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6597 -21.6597 -21.6454 -21.6454 -20.2204 -20.2204 -19.8867 -19.8867 -19.8719 -19.8719 -19.5562 -19.5562 -19.5335 -19.5335 -19.4428 -19.4428 -10.3640 -10.3640 -10.3325 -10.3325 -10.3134 -10.3134 -10.2772 -10.2772 -8.0080 -8.0080 -7.9894 -7.9894 -2.8932 -2.8932 -2.7743 -2.7743 -2.6787 -2.6787 -2.4239 -2.4239 -2.3190 -2.3190 -2.2916 -2.2916 -1.6909 -1.6909 -1.6523 -1.6523 -1.4507 -1.4507 -1.1589 -1.1589 -1.0741 -1.0741 -1.0623 -1.0623 -0.9946 -0.9946 -0.8337 -0.8337 -0.4425 -0.4425 -0.4006 -0.4006 -0.3730 -0.3730 -0.3112 -0.3112 5.0527 5.0527 5.1017 5.1017 5.1464 5.1464 7.5800 7.5800 7.7805 7.7805 8.7961 8.7961 9.1796 9.1796 k = 0.3889 0.4811-0.0000 ( 12102 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6587 -21.6587 -21.6461 -21.6461 -20.2207 -20.2207 -19.8859 -19.8859 -19.8731 -19.8731 -19.5561 -19.5561 -19.5336 -19.5336 -19.4426 -19.4426 -10.3632 -10.3632 -10.3322 -10.3322 -10.3148 -10.3148 -10.2762 -10.2762 -8.0069 -8.0069 -7.9905 -7.9905 -2.8857 -2.8857 -2.7838 -2.7838 -2.6790 -2.6790 -2.4146 -2.4146 -2.3245 -2.3245 -2.2953 -2.2953 -1.6854 -1.6854 -1.6535 -1.6535 -1.4483 -1.4483 -1.1566 -1.1566 -1.0647 -1.0647 -1.0571 -1.0571 -0.9993 -0.9993 -0.8538 -0.8538 -0.4428 -0.4428 -0.3971 -0.3971 -0.3710 -0.3710 -0.3174 -0.3174 5.0548 5.0548 5.1033 5.1033 5.1447 5.1447 7.5917 7.5917 7.7614 7.7614 8.8357 8.8357 9.1872 9.1872 k = 0.3796 0.4972-0.0000 ( 12090 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6577 -21.6577 -21.6469 -21.6469 -20.2209 -20.2209 -19.8850 -19.8850 -19.8743 -19.8743 -19.5561 -19.5561 -19.5337 -19.5337 -19.4424 -19.4424 -10.3625 -10.3625 -10.3318 -10.3318 -10.3161 -10.3161 -10.2754 -10.2754 -8.0057 -8.0057 -7.9917 -7.9917 -2.8779 -2.8779 -2.7934 -2.7934 -2.6792 -2.6792 -2.4048 -2.4048 -2.3301 -2.3301 -2.2992 -2.2992 -1.6804 -1.6804 -1.6548 -1.6548 -1.4459 -1.4459 -1.1542 -1.1542 -1.0589 -1.0589 -1.0476 -1.0476 -1.0039 -1.0039 -0.8742 -0.8742 -0.4431 -0.4431 -0.3937 -0.3937 -0.3688 -0.3688 -0.3238 -0.3238 5.0566 5.0566 5.1050 5.1050 5.1429 5.1429 7.6038 7.6038 7.7429 7.7429 8.8765 8.8765 9.1911 9.1911 k = 0.3704 0.5132-0.0000 ( 12082 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6567 -21.6567 -21.6477 -21.6477 -20.2212 -20.2212 -19.8840 -19.8840 -19.8755 -19.8755 -19.5560 -19.5560 -19.5337 -19.5337 -19.4423 -19.4423 -10.3619 -10.3619 -10.3314 -10.3314 -10.3172 -10.3172 -10.2747 -10.2747 -8.0044 -8.0044 -7.9929 -7.9929 -2.8700 -2.8700 -2.8028 -2.8028 -2.6794 -2.6794 -2.3948 -2.3948 -2.3358 -2.3358 -2.3032 -2.3032 -1.6759 -1.6759 -1.6562 -1.6562 -1.4438 -1.4438 -1.1519 -1.1519 -1.0548 -1.0548 -1.0362 -1.0362 -1.0080 -1.0080 -0.8946 -0.8946 -0.4434 -0.4434 -0.3905 -0.3905 -0.3662 -0.3662 -0.3303 -0.3303 5.0581 5.0581 5.1067 5.1067 5.1413 5.1413 7.6162 7.6162 7.7253 7.7253 8.9183 8.9183 9.1895 9.1895 k = 0.3611 0.5292-0.0000 ( 12072 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6555 -21.6555 -21.6486 -21.6486 -20.2214 -20.2214 -19.8831 -19.8831 -19.8767 -19.8767 -19.5560 -19.5560 -19.5338 -19.5338 -19.4421 -19.4421 -10.3615 -10.3615 -10.3310 -10.3310 -10.3182 -10.3182 -10.2741 -10.2741 -8.0031 -8.0031 -7.9942 -7.9942 -2.8620 -2.8620 -2.8121 -2.8121 -2.6796 -2.6796 -2.3847 -2.3847 -2.3414 -2.3414 -2.3071 -2.3071 -1.6720 -1.6720 -1.6576 -1.6576 -1.4419 -1.4419 -1.1498 -1.1498 -1.0510 -1.0510 -1.0260 -1.0260 -1.0099 -1.0099 -0.9143 -0.9143 -0.4436 -0.4436 -0.3876 -0.3876 -0.3634 -0.3634 -0.3368 -0.3368 5.0592 5.0592 5.1083 5.1083 5.1398 5.1398 7.6288 7.6288 7.7087 7.7087 8.9611 8.9611 9.1804 9.1804 k = 0.3519 0.5453-0.0000 ( 12070 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6544 -21.6544 -21.6497 -21.6497 -20.2215 -20.2215 -19.8821 -19.8821 -19.8778 -19.8778 -19.5559 -19.5559 -19.5338 -19.5338 -19.4420 -19.4420 -10.3611 -10.3611 -10.3305 -10.3305 -10.3190 -10.3190 -10.2737 -10.2737 -8.0017 -8.0017 -7.9956 -7.9956 -2.8539 -2.8539 -2.8211 -2.8211 -2.6797 -2.6797 -2.3751 -2.3751 -2.3468 -2.3468 -2.3108 -2.3108 -1.6687 -1.6687 -1.6592 -1.6592 -1.4405 -1.4405 -1.1480 -1.1480 -1.0476 -1.0476 -1.0228 -1.0228 -1.0045 -1.0045 -0.9324 -0.9324 -0.4437 -0.4437 -0.3852 -0.3852 -0.3602 -0.3602 -0.3429 -0.3429 5.0600 5.0600 5.1097 5.1097 5.1386 5.1386 7.6414 7.6414 7.6932 7.6932 9.0045 9.0045 9.1619 9.1619 k = 0.3426 0.5613-0.0000 ( 12074 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6532 -21.6532 -21.6508 -21.6508 -20.2216 -20.2216 -19.8810 -19.8810 -19.8789 -19.8789 -19.5559 -19.5559 -19.5338 -19.5338 -19.4419 -19.4419 -10.3609 -10.3609 -10.3302 -10.3302 -10.3195 -10.3195 -10.2735 -10.2735 -8.0002 -8.0002 -7.9971 -7.9971 -2.8460 -2.8460 -2.8297 -2.8297 -2.6797 -2.6797 -2.3669 -2.3669 -2.3516 -2.3516 -2.3137 -2.3137 -1.6663 -1.6663 -1.6606 -1.6606 -1.4396 -1.4396 -1.1467 -1.1467 -1.0448 -1.0448 -1.0243 -1.0243 -0.9950 -0.9950 -0.9471 -0.9471 -0.4438 -0.4438 -0.3836 -0.3836 -0.3567 -0.3567 -0.3485 -0.3485 5.0605 5.0605 5.1106 5.1106 5.1379 5.1379 7.6539 7.6539 7.6790 7.6790 9.0486 9.0486 9.1329 9.1329 k = 0.3333 0.5774-0.0000 ( 12054 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6520 -21.6520 -21.6519 -21.6519 -20.2217 -20.2217 -19.8800 -19.8800 -19.8800 -19.8800 -19.5559 -19.5559 -19.5339 -19.5339 -19.4419 -19.4419 -10.3609 -10.3609 -10.3301 -10.3301 -10.3197 -10.3197 -10.2734 -10.2734 -7.9987 -7.9987 -7.9986 -7.9986 -2.8392 -2.8392 -2.8366 -2.8366 -2.6798 -2.6798 -2.3631 -2.3631 -2.3541 -2.3541 -2.3149 -2.3149 -1.6653 -1.6653 -1.6613 -1.6613 -1.4393 -1.4393 -1.1463 -1.1463 -1.0438 -1.0438 -1.0252 -1.0252 -0.9902 -0.9902 -0.9535 -0.9535 -0.4439 -0.4439 -0.3829 -0.3829 -0.3533 -0.3533 -0.3527 -0.3527 5.0606 5.0606 5.1109 5.1109 5.1376 5.1376 7.6658 7.6658 7.6665 7.6665 9.0921 9.0921 9.0943 9.0943 k = 0.3333 0.5774-0.0000 ( 12054 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6520 -21.6520 -21.6519 -21.6519 -20.2217 -20.2217 -19.8800 -19.8800 -19.8800 -19.8800 -19.5559 -19.5559 -19.5339 -19.5339 -19.4419 -19.4419 -10.3609 -10.3609 -10.3301 -10.3301 -10.3197 -10.3197 -10.2734 -10.2734 -7.9987 -7.9987 -7.9986 -7.9986 -2.8392 -2.8392 -2.8366 -2.8366 -2.6798 -2.6798 -2.3631 -2.3631 -2.3541 -2.3541 -2.3149 -2.3149 -1.6653 -1.6653 -1.6613 -1.6613 -1.4393 -1.4393 -1.1463 -1.1463 -1.0438 -1.0438 -1.0252 -1.0252 -0.9902 -0.9902 -0.9535 -0.9535 -0.4439 -0.4439 -0.3829 -0.3829 -0.3533 -0.3533 -0.3527 -0.3527 5.0606 5.0606 5.1109 5.1109 5.1376 5.1376 7.6658 7.6658 7.6665 7.6665 9.0921 9.0921 9.0943 9.0943 k = 0.3241 0.5613-0.0000 ( 12070 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6533 -21.6533 -21.6507 -21.6507 -20.2216 -20.2216 -19.8810 -19.8810 -19.8790 -19.8790 -19.5559 -19.5559 -19.5338 -19.5338 -19.4419 -19.4419 -10.3609 -10.3609 -10.3303 -10.3303 -10.3195 -10.3195 -10.2735 -10.2735 -8.0003 -8.0003 -7.9971 -7.9971 -2.8456 -2.8456 -2.8300 -2.8300 -2.6797 -2.6797 -2.3658 -2.3658 -2.3532 -2.3532 -2.3133 -2.3133 -1.6661 -1.6661 -1.6607 -1.6607 -1.4396 -1.4396 -1.1468 -1.1468 -1.0448 -1.0448 -1.0243 -1.0243 -0.9943 -0.9943 -0.9477 -0.9477 -0.4438 -0.4438 -0.3837 -0.3837 -0.3560 -0.3560 -0.3491 -0.3491 5.0605 5.0605 5.1106 5.1106 5.1379 5.1379 7.6547 7.6547 7.6781 7.6781 9.0437 9.0437 9.1382 9.1382 k = 0.3148 0.5453-0.0000 ( 12088 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6547 -21.6547 -21.6494 -21.6494 -20.2215 -20.2215 -19.8819 -19.8819 -19.8779 -19.8779 -19.5559 -19.5559 -19.5338 -19.5338 -19.4420 -19.4420 -10.3611 -10.3611 -10.3306 -10.3306 -10.3190 -10.3190 -10.2737 -10.2737 -8.0019 -8.0019 -7.9954 -7.9954 -2.8525 -2.8525 -2.8225 -2.8225 -2.6797 -2.6797 -2.3703 -2.3703 -2.3540 -2.3540 -2.3088 -2.3088 -1.6678 -1.6678 -1.6600 -1.6600 -1.4407 -1.4407 -1.1486 -1.1486 -1.0473 -1.0473 -1.0224 -1.0224 -1.0009 -1.0009 -0.9355 -0.9355 -0.4437 -0.4437 -0.3859 -0.3859 -0.3571 -0.3571 -0.3451 -0.3451 5.0601 5.0601 5.1097 5.1097 5.1385 5.1385 7.6448 7.6448 7.6897 7.6897 8.9862 8.9862 9.1835 9.1835 k = 0.3056 0.5292-0.0000 ( 12090 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6561 -21.6561 -21.6481 -21.6481 -20.2213 -20.2213 -19.8828 -19.8828 -19.8769 -19.8769 -19.5559 -19.5559 -19.5338 -19.5338 -19.4422 -19.4422 -10.3614 -10.3614 -10.3313 -10.3313 -10.3181 -10.3181 -10.2741 -10.2741 -8.0037 -8.0037 -7.9937 -7.9937 -2.8587 -2.8587 -2.8151 -2.8151 -2.6795 -2.6795 -2.3751 -2.3751 -2.3573 -2.3573 -2.3025 -2.3025 -1.6698 -1.6698 -1.6595 -1.6595 -1.4426 -1.4426 -1.1516 -1.1516 -1.0504 -1.0504 -1.0211 -1.0211 -1.0048 -1.0048 -0.9213 -0.9213 -0.4436 -0.4436 -0.3892 -0.3892 -0.3568 -0.3568 -0.3410 -0.3410 5.0594 5.0594 5.1083 5.1083 5.1394 5.1394 7.6365 7.6365 7.7007 7.7007 8.9225 8.9225 9.2289 9.2289 k = 0.2963 0.5132-0.0000 ( 12106 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6577 -21.6577 -21.6468 -21.6468 -20.2210 -20.2210 -19.8835 -19.8835 -19.8759 -19.8759 -19.5559 -19.5559 -19.5337 -19.5337 -19.4424 -19.4424 -10.3618 -10.3618 -10.3320 -10.3320 -10.3171 -10.3171 -10.2746 -10.2746 -8.0054 -8.0054 -7.9919 -7.9919 -2.8641 -2.8641 -2.8079 -2.8079 -2.6793 -2.6793 -2.3798 -2.3798 -2.3622 -2.3622 -2.2957 -2.2957 -1.6718 -1.6718 -1.6595 -1.6595 -1.4453 -1.4453 -1.1556 -1.1556 -1.0534 -1.0534 -1.0211 -1.0211 -1.0047 -1.0047 -0.9064 -0.9064 -0.4434 -0.4434 -0.3930 -0.3930 -0.3554 -0.3554 -0.3368 -0.3368 5.0585 5.0585 5.1065 5.1065 5.1403 5.1403 7.6297 7.6297 7.7110 7.7110 8.8541 8.8541 9.2745 9.2745 k = 0.2870 0.4972-0.0000 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6594 -21.6594 -21.6455 -21.6455 -20.2206 -20.2206 -19.8841 -19.8841 -19.8749 -19.8749 -19.5559 -19.5559 -19.5336 -19.5336 -19.4428 -19.4428 -10.3623 -10.3623 -10.3329 -10.3329 -10.3159 -10.3159 -10.2753 -10.2753 -8.0073 -8.0073 -7.9901 -7.9901 -2.8688 -2.8688 -2.8011 -2.8011 -2.6791 -2.6791 -2.3843 -2.3843 -2.3680 -2.3680 -2.2894 -2.2894 -1.6739 -1.6739 -1.6598 -1.6598 -1.4489 -1.4489 -1.1600 -1.1600 -1.0564 -1.0564 -1.0208 -1.0208 -1.0023 -1.0023 -0.8913 -0.8913 -0.4431 -0.4431 -0.3967 -0.3967 -0.3533 -0.3533 -0.3327 -0.3327 5.0573 5.0573 5.1046 5.1046 5.1412 5.1412 7.6246 7.6246 7.7206 7.7206 8.7827 8.7827 9.3200 9.3200 k = 0.2778 0.4811-0.0000 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6611 -21.6611 -21.6441 -21.6441 -20.2202 -20.2202 -19.8847 -19.8847 -19.8740 -19.8740 -19.5558 -19.5558 -19.5335 -19.5335 -19.4432 -19.4432 -10.3629 -10.3629 -10.3339 -10.3339 -10.3146 -10.3146 -10.2762 -10.2762 -8.0091 -8.0091 -7.9883 -7.9883 -2.8726 -2.8726 -2.7945 -2.7945 -2.6788 -2.6788 -2.3887 -2.3887 -2.3744 -2.3744 -2.2842 -2.2842 -1.6760 -1.6760 -1.6605 -1.6605 -1.4534 -1.4534 -1.1641 -1.1641 -1.0590 -1.0590 -1.0191 -1.0191 -0.9989 -0.9989 -0.8762 -0.8762 -0.4428 -0.4428 -0.3999 -0.3999 -0.3509 -0.3509 -0.3287 -0.3287 5.0560 5.0560 5.1024 5.1024 5.1419 5.1419 7.6212 7.6212 7.7293 7.7293 8.7093 8.7093 9.3654 9.3654 k = 0.2685 0.4651-0.0000 ( 12120 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6630 -21.6630 -21.6428 -21.6428 -20.2196 -20.2196 -19.8851 -19.8851 -19.8731 -19.8731 -19.5557 -19.5557 -19.5333 -19.5333 -19.4437 -19.4437 -10.3635 -10.3635 -10.3350 -10.3350 -10.3133 -10.3133 -10.2771 -10.2771 -8.0110 -8.0110 -7.9864 -7.9864 -2.8755 -2.8755 -2.7882 -2.7882 -2.6784 -2.6784 -2.3930 -2.3930 -2.3812 -2.3812 -2.2803 -2.2803 -1.6781 -1.6781 -1.6616 -1.6616 -1.4588 -1.4588 -1.1673 -1.1673 -1.0614 -1.0614 -1.0159 -1.0159 -0.9953 -0.9953 -0.8613 -0.8613 -0.4425 -0.4425 -0.4025 -0.4025 -0.3481 -0.3481 -0.3247 -0.3247 5.0545 5.0545 5.1002 5.1002 5.1424 5.1424 7.6194 7.6194 7.7370 7.7370 8.6350 8.6350 9.4106 9.4106 k = 0.2593 0.4491-0.0000 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6649 -21.6649 -21.6415 -21.6415 -20.2189 -20.2189 -19.8854 -19.8854 -19.8723 -19.8723 -19.5556 -19.5556 -19.5331 -19.5331 -19.4443 -19.4443 -10.3642 -10.3642 -10.3361 -10.3361 -10.3121 -10.3121 -10.2782 -10.2782 -8.0129 -8.0129 -7.9846 -7.9846 -2.8774 -2.8774 -2.7821 -2.7821 -2.6780 -2.6780 -2.3975 -2.3975 -2.3880 -2.3880 -2.2781 -2.2781 -1.6801 -1.6801 -1.6629 -1.6629 -1.4651 -1.4651 -1.1689 -1.1689 -1.0635 -1.0635 -1.0116 -1.0116 -0.9916 -0.9916 -0.8468 -0.8468 -0.4422 -0.4422 -0.4042 -0.4042 -0.3450 -0.3450 -0.3208 -0.3208 5.0528 5.0528 5.0979 5.0979 5.1425 5.1425 7.6193 7.6193 7.7435 7.7435 8.5605 8.5605 9.4555 9.4555 k = 0.2500 0.4330-0.0000 ( 12132 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6669 -21.6669 -21.6402 -21.6402 -20.2182 -20.2182 -19.8855 -19.8855 -19.8715 -19.8715 -19.5555 -19.5555 -19.5329 -19.5329 -19.4451 -19.4451 -10.3649 -10.3649 -10.3373 -10.3373 -10.3108 -10.3108 -10.2793 -10.2793 -8.0149 -8.0149 -7.9826 -7.9826 -2.8785 -2.8785 -2.7765 -2.7765 -2.6775 -2.6775 -2.4029 -2.4029 -2.3940 -2.3940 -2.2777 -2.2777 -1.6820 -1.6820 -1.6646 -1.6646 -1.4723 -1.4723 -1.1686 -1.1686 -1.0652 -1.0652 -1.0067 -1.0067 -0.9875 -0.9875 -0.8327 -0.8327 -0.4419 -0.4419 -0.4050 -0.4050 -0.3417 -0.3417 -0.3170 -0.3170 5.0509 5.0509 5.0956 5.0956 5.1423 5.1423 7.6209 7.6209 7.7486 7.7486 8.4866 8.4866 9.4999 9.4999 k = 0.2407 0.4170-0.0000 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6690 -21.6690 -21.6389 -21.6389 -20.2173 -20.2173 -19.8855 -19.8855 -19.8708 -19.8708 -19.5553 -19.5553 -19.5326 -19.5326 -19.4459 -19.4459 -10.3656 -10.3656 -10.3385 -10.3385 -10.3096 -10.3096 -10.2805 -10.2805 -8.0168 -8.0168 -7.9807 -7.9807 -2.8786 -2.8786 -2.7711 -2.7711 -2.6770 -2.6770 -2.4098 -2.4098 -2.3987 -2.3987 -2.2789 -2.2789 -1.6839 -1.6839 -1.6664 -1.6664 -1.4805 -1.4805 -1.1662 -1.1662 -1.0665 -1.0665 -1.0022 -1.0022 -0.9825 -0.9825 -0.8190 -0.8190 -0.4418 -0.4418 -0.4047 -0.4047 -0.3383 -0.3383 -0.3134 -0.3134 5.0489 5.0489 5.0933 5.0933 5.1417 5.1417 7.6241 7.6241 7.7520 7.7520 8.4140 8.4140 9.5437 9.5437 k = 0.2315 0.4009-0.0000 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6711 -21.6711 -21.6376 -21.6376 -20.2164 -20.2164 -19.8855 -19.8855 -19.8701 -19.8701 -19.5551 -19.5551 -19.5324 -19.5324 -19.4468 -19.4468 -10.3664 -10.3664 -10.3398 -10.3398 -10.3085 -10.3085 -10.2818 -10.2818 -8.0188 -8.0188 -7.9788 -7.9788 -2.8778 -2.8778 -2.7660 -2.7660 -2.6765 -2.6765 -2.4181 -2.4181 -2.4023 -2.4023 -2.2819 -2.2819 -1.6856 -1.6856 -1.6685 -1.6685 -1.4895 -1.4895 -1.1615 -1.1615 -1.0675 -1.0675 -0.9987 -0.9987 -0.9759 -0.9759 -0.8058 -0.8058 -0.4417 -0.4417 -0.4033 -0.4033 -0.3347 -0.3347 -0.3098 -0.3098 5.0468 5.0468 5.0910 5.0910 5.1407 5.1407 7.6289 7.6289 7.7534 7.7534 8.3435 8.3435 9.5868 9.5868 k = 0.2222 0.3849-0.0000 ( 12118 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6732 -21.6732 -21.6363 -21.6363 -20.2153 -20.2153 -19.8852 -19.8852 -19.8695 -19.8695 -19.5549 -19.5549 -19.5321 -19.5321 -19.4478 -19.4478 -10.3672 -10.3672 -10.3412 -10.3412 -10.3075 -10.3075 -10.2831 -10.2831 -8.0208 -8.0208 -7.9769 -7.9769 -2.8761 -2.8761 -2.7612 -2.7612 -2.6759 -2.6759 -2.4272 -2.4272 -2.4051 -2.4051 -2.2865 -2.2865 -1.6873 -1.6873 -1.6708 -1.6708 -1.4994 -1.4994 -1.1547 -1.1547 -1.0680 -1.0680 -0.9966 -0.9966 -0.9676 -0.9676 -0.7932 -0.7932 -0.4418 -0.4418 -0.4008 -0.4008 -0.3309 -0.3309 -0.3065 -0.3065 5.0446 5.0446 5.0888 5.0888 5.1393 5.1393 7.6353 7.6353 7.7522 7.7522 8.2757 8.2757 9.6291 9.6291 k = 0.2130 0.3689-0.0000 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6754 -21.6754 -21.6351 -21.6351 -20.2142 -20.2142 -19.8849 -19.8849 -19.8689 -19.8689 -19.5546 -19.5546 -19.5317 -19.5317 -19.4489 -19.4489 -10.3680 -10.3680 -10.3426 -10.3426 -10.3065 -10.3065 -10.2844 -10.2844 -8.0228 -8.0228 -7.9750 -7.9750 -2.8734 -2.8734 -2.7568 -2.7568 -2.6753 -2.6753 -2.4370 -2.4370 -2.4075 -2.4075 -2.2924 -2.2924 -1.6888 -1.6888 -1.6732 -1.6732 -1.5101 -1.5101 -1.1459 -1.1459 -1.0681 -1.0681 -0.9958 -0.9958 -0.9578 -0.9578 -0.7812 -0.7812 -0.4419 -0.4419 -0.3974 -0.3974 -0.3271 -0.3271 -0.3032 -0.3032 5.0422 5.0422 5.0866 5.0866 5.1376 5.1376 7.6431 7.6431 7.7478 7.7478 8.2118 8.2118 9.6704 9.6704 k = 0.2037 0.3528-0.0000 ( 12132 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6777 -21.6777 -21.6339 -21.6339 -20.2131 -20.2131 -19.8844 -19.8844 -19.8685 -19.8685 -19.5542 -19.5542 -19.5314 -19.5314 -19.4501 -19.4501 -10.3688 -10.3688 -10.3441 -10.3441 -10.3057 -10.3057 -10.2857 -10.2857 -8.0247 -8.0247 -7.9731 -7.9731 -2.8699 -2.8699 -2.7526 -2.7526 -2.6746 -2.6746 -2.4474 -2.4474 -2.4095 -2.4095 -2.2994 -2.2994 -1.6902 -1.6902 -1.6758 -1.6758 -1.5216 -1.5216 -1.1353 -1.1353 -1.0677 -1.0677 -0.9959 -0.9959 -0.9467 -0.9467 -0.7697 -0.7697 -0.4422 -0.4422 -0.3931 -0.3931 -0.3231 -0.3231 -0.3001 -0.3001 5.0398 5.0398 5.0845 5.0845 5.1354 5.1354 7.6524 7.6524 7.7392 7.7392 8.1530 8.1530 9.7106 9.7106 k = 0.1944 0.3368-0.0000 ( 12136 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6799 -21.6799 -21.6328 -21.6328 -20.2118 -20.2118 -19.8839 -19.8839 -19.8681 -19.8681 -19.5539 -19.5539 -19.5310 -19.5310 -19.4514 -19.4514 -10.3696 -10.3696 -10.3457 -10.3457 -10.3050 -10.3050 -10.2869 -10.2869 -8.0267 -8.0267 -7.9712 -7.9712 -2.8655 -2.8655 -2.7488 -2.7488 -2.6740 -2.6740 -2.4584 -2.4584 -2.4111 -2.4111 -2.3073 -2.3073 -1.6916 -1.6916 -1.6784 -1.6784 -1.5339 -1.5339 -1.1234 -1.1234 -1.0668 -1.0668 -0.9967 -0.9967 -0.9345 -0.9345 -0.7588 -0.7588 -0.4424 -0.4424 -0.3879 -0.3879 -0.3191 -0.3191 -0.2971 -0.2971 5.0373 5.0373 5.0824 5.0824 5.1330 5.1330 7.6629 7.6629 7.7253 7.7253 8.1006 8.1006 9.7495 9.7495 k = 0.1852 0.3208-0.0000 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6822 -21.6822 -21.6316 -21.6316 -20.2105 -20.2105 -19.8832 -19.8832 -19.8677 -19.8677 -19.5535 -19.5535 -19.5306 -19.5306 -19.4527 -19.4527 -10.3704 -10.3704 -10.3474 -10.3474 -10.3045 -10.3045 -10.2881 -10.2881 -8.0286 -8.0286 -7.9694 -7.9694 -2.8603 -2.8603 -2.7452 -2.7452 -2.6733 -2.6733 -2.4700 -2.4700 -2.4125 -2.4125 -2.3157 -2.3157 -1.6928 -1.6928 -1.6812 -1.6812 -1.5469 -1.5469 -1.1107 -1.1107 -1.0653 -1.0653 -0.9981 -0.9981 -0.9213 -0.9213 -0.7484 -0.7484 -0.4427 -0.4427 -0.3822 -0.3822 -0.3151 -0.3151 -0.2942 -0.2942 5.0347 5.0347 5.0804 5.0804 5.1302 5.1302 7.6747 7.6747 7.7050 7.7050 8.0558 8.0558 9.7870 9.7870 k = 0.1759 0.3047-0.0000 ( 12114 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6844 -21.6844 -21.6306 -21.6306 -20.2092 -20.2092 -19.8824 -19.8824 -19.8674 -19.8674 -19.5531 -19.5531 -19.5302 -19.5302 -19.4541 -19.4541 -10.3712 -10.3712 -10.3491 -10.3491 -10.3040 -10.3040 -10.2892 -10.2892 -8.0305 -8.0305 -7.9676 -7.9676 -2.8543 -2.8543 -2.7420 -2.7420 -2.6727 -2.6727 -2.4820 -2.4820 -2.4137 -2.4137 -2.3244 -2.3244 -1.6940 -1.6940 -1.6841 -1.6841 -1.5605 -1.5605 -1.0978 -1.0978 -1.0629 -1.0629 -0.9999 -0.9999 -0.9073 -0.9073 -0.7387 -0.7387 -0.4430 -0.4430 -0.3759 -0.3759 -0.3111 -0.3111 -0.2913 -0.2913 5.0320 5.0320 5.0785 5.0785 5.1271 5.1271 7.6777 7.6777 7.6876 7.6876 8.0197 8.0197 9.8229 9.8229 k = 0.1667 0.2887-0.0000 ( 12114 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6867 -21.6867 -21.6295 -21.6295 -20.2079 -20.2079 -19.8816 -19.8816 -19.8672 -19.8672 -19.5526 -19.5526 -19.5297 -19.5297 -19.4556 -19.4556 -10.3719 -10.3719 -10.3509 -10.3509 -10.3037 -10.3037 -10.2902 -10.2902 -8.0323 -8.0323 -7.9658 -7.9658 -2.8476 -2.8476 -2.7390 -2.7390 -2.6721 -2.6721 -2.4946 -2.4946 -2.4146 -2.4146 -2.3331 -2.3331 -1.6951 -1.6951 -1.6870 -1.6870 -1.5746 -1.5746 -1.0858 -1.0858 -1.0589 -1.0589 -1.0019 -1.0019 -0.8923 -0.8923 -0.7294 -0.7294 -0.4433 -0.4433 -0.3693 -0.3693 -0.3071 -0.3071 -0.2885 -0.2885 5.0293 5.0293 5.0767 5.0767 5.1238 5.1238 7.6438 7.6438 7.7015 7.7015 7.9920 7.9920 9.8571 9.8571 k = 0.1574 0.2726-0.0000 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6889 -21.6889 -21.6285 -21.6285 -20.2065 -20.2065 -19.8807 -19.8807 -19.8670 -19.8670 -19.5522 -19.5522 -19.5293 -19.5293 -19.4571 -19.4571 -10.3727 -10.3727 -10.3527 -10.3527 -10.3035 -10.3035 -10.2911 -10.2911 -8.0341 -8.0341 -7.9641 -7.9641 -2.8402 -2.8402 -2.7363 -2.7363 -2.6715 -2.6715 -2.5074 -2.5074 -2.4153 -2.4153 -2.3417 -2.3417 -1.6962 -1.6962 -1.6900 -1.6900 -1.5890 -1.5890 -1.0766 -1.0766 -1.0520 -1.0520 -1.0041 -1.0041 -0.8766 -0.8766 -0.7207 -0.7207 -0.4436 -0.4436 -0.3625 -0.3625 -0.3034 -0.3034 -0.2856 -0.2856 5.0266 5.0266 5.0750 5.0750 5.1203 5.1203 7.6045 7.6045 7.7161 7.7161 7.9715 7.9715 9.8894 9.8894 k = 0.1481 0.2566-0.0000 ( 12114 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6910 -21.6910 -21.6276 -21.6276 -20.2051 -20.2051 -19.8797 -19.8797 -19.8669 -19.8669 -19.5517 -19.5517 -19.5288 -19.5288 -19.4586 -19.4586 -10.3734 -10.3734 -10.3546 -10.3546 -10.3035 -10.3035 -10.2919 -10.2919 -8.0358 -8.0358 -7.9624 -7.9624 -2.8323 -2.8323 -2.7338 -2.7338 -2.6711 -2.6711 -2.5205 -2.5205 -2.4157 -2.4157 -2.3500 -2.3500 -1.6973 -1.6973 -1.6932 -1.6932 -1.6037 -1.6037 -1.0706 -1.0706 -1.0422 -1.0422 -1.0060 -1.0060 -0.8601 -0.8601 -0.7125 -0.7125 -0.4439 -0.4439 -0.3555 -0.3555 -0.2998 -0.2998 -0.2826 -0.2826 5.0239 5.0239 5.0733 5.0733 5.1166 5.1166 7.5616 7.5616 7.7315 7.7315 7.9568 7.9568 9.9197 9.9197 k = 0.1389 0.2406-0.0000 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6931 -21.6931 -21.6267 -21.6267 -20.2038 -20.2038 -19.8787 -19.8787 -19.8668 -19.8668 -19.5513 -19.5513 -19.5284 -19.5284 -19.4601 -19.4601 -10.3742 -10.3742 -10.3565 -10.3565 -10.3035 -10.3035 -10.2926 -10.2926 -8.0375 -8.0375 -7.9608 -7.9608 -2.8239 -2.8239 -2.7316 -2.7316 -2.6707 -2.6707 -2.5337 -2.5337 -2.4161 -2.4161 -2.3578 -2.3578 -1.6986 -1.6986 -1.6962 -1.6962 -1.6184 -1.6184 -1.0667 -1.0667 -1.0317 -1.0317 -1.0070 -1.0070 -0.8430 -0.8430 -0.7048 -0.7048 -0.4442 -0.4442 -0.3486 -0.3486 -0.2965 -0.2965 -0.2795 -0.2795 5.0211 5.0211 5.0716 5.0716 5.1129 5.1129 7.5170 7.5170 7.7474 7.7474 7.9463 7.9463 9.9479 9.9479 k = 0.1296 0.2245-0.0000 ( 12100 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6952 -21.6952 -21.6259 -21.6259 -20.2024 -20.2024 -19.8776 -19.8776 -19.8668 -19.8668 -19.5508 -19.5508 -19.5279 -19.5279 -19.4616 -19.4616 -10.3749 -10.3749 -10.3583 -10.3583 -10.3036 -10.3036 -10.2932 -10.2932 -8.0391 -8.0391 -7.9592 -7.9592 -2.8152 -2.8152 -2.7297 -2.7297 -2.6705 -2.6705 -2.5467 -2.5467 -2.4162 -2.4162 -2.3651 -2.3651 -1.7011 -1.7011 -1.6984 -1.6984 -1.6329 -1.6329 -1.0637 -1.0637 -1.0240 -1.0240 -1.0049 -1.0049 -0.8255 -0.8255 -0.6976 -0.6976 -0.4445 -0.4445 -0.3419 -0.3419 -0.2935 -0.2935 -0.2762 -0.2762 5.0184 5.0184 5.0701 5.0701 5.1091 5.1091 7.4720 7.4720 7.7636 7.7636 7.9387 7.9387 9.9737 9.9737 k = 0.1204 0.2085-0.0000 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6971 -21.6971 -21.6251 -21.6251 -20.2011 -20.2011 -19.8765 -19.8765 -19.8667 -19.8667 -19.5504 -19.5504 -19.5274 -19.5274 -19.4631 -19.4631 -10.3756 -10.3756 -10.3601 -10.3601 -10.3039 -10.3039 -10.2936 -10.2936 -8.0407 -8.0407 -7.9578 -7.9578 -2.8061 -2.8061 -2.7280 -2.7280 -2.6705 -2.6705 -2.5594 -2.5594 -2.4163 -2.4163 -2.3719 -2.3719 -1.7050 -1.7050 -1.6995 -1.6995 -1.6469 -1.6469 -1.0612 -1.0612 -1.0218 -1.0218 -0.9975 -0.9975 -0.8079 -0.8079 -0.6908 -0.6908 -0.4447 -0.4447 -0.3354 -0.3354 -0.2908 -0.2908 -0.2728 -0.2728 5.0157 5.0157 5.0686 5.0686 5.1054 5.1054 7.4276 7.4276 7.7799 7.7799 7.9332 7.9332 9.9972 9.9972 k = 0.1111 0.1925-0.0000 ( 12108 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.6990 -21.6990 -21.6244 -21.6244 -20.1998 -20.1998 -19.8754 -19.8754 -19.8668 -19.8668 -19.5499 -19.5499 -19.5270 -19.5270 -19.4646 -19.4646 -10.3763 -10.3763 -10.3619 -10.3619 -10.3041 -10.3041 -10.2941 -10.2941 -8.0421 -8.0421 -7.9564 -7.9564 -2.7969 -2.7969 -2.7265 -2.7265 -2.6707 -2.6707 -2.5715 -2.5715 -2.4162 -2.4162 -2.3781 -2.3781 -1.7099 -1.7099 -1.7003 -1.7003 -1.6597 -1.6597 -1.0589 -1.0589 -1.0227 -1.0227 -0.9875 -0.9875 -0.7903 -0.7903 -0.6844 -0.6844 -0.4449 -0.4449 -0.3292 -0.3292 -0.2884 -0.2884 -0.2692 -0.2692 5.0131 5.0131 5.0671 5.0671 5.1018 5.1018 7.3848 7.3848 7.7962 7.7962 7.9292 7.9292 10.0183 10.0183 k = 0.1019 0.1764-0.0000 ( 12108 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7008 -21.7008 -21.6237 -21.6237 -20.1986 -20.1986 -19.8744 -19.8744 -19.8668 -19.8668 -19.5495 -19.5495 -19.5265 -19.5265 -19.4660 -19.4660 -10.3770 -10.3770 -10.3636 -10.3636 -10.3044 -10.3044 -10.2944 -10.2944 -8.0435 -8.0435 -7.9551 -7.9551 -2.7877 -2.7877 -2.7252 -2.7252 -2.6713 -2.6713 -2.5828 -2.5828 -2.4161 -2.4161 -2.3838 -2.3838 -1.7162 -1.7162 -1.7011 -1.7011 -1.6710 -1.6710 -1.0567 -1.0567 -1.0245 -1.0245 -0.9774 -0.9774 -0.7730 -0.7730 -0.6784 -0.6784 -0.4451 -0.4451 -0.3235 -0.3235 -0.2863 -0.2863 -0.2656 -0.2656 5.0105 5.0105 5.0656 5.0656 5.0983 5.0983 7.3440 7.3440 7.8123 7.8123 7.9261 7.9261 10.0370 10.0370 k = 0.0926 0.1604-0.0000 ( 12114 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7024 -21.7024 -21.6231 -21.6231 -20.1975 -20.1975 -19.8733 -19.8733 -19.8669 -19.8669 -19.5491 -19.5491 -19.5261 -19.5261 -19.4674 -19.4674 -10.3777 -10.3777 -10.3651 -10.3651 -10.3047 -10.3047 -10.2947 -10.2947 -8.0447 -8.0447 -7.9539 -7.9539 -2.7785 -2.7785 -2.7242 -2.7242 -2.6723 -2.6723 -2.5931 -2.5931 -2.4159 -2.4159 -2.3889 -2.3889 -1.7239 -1.7239 -1.7018 -1.7018 -1.6800 -1.6800 -1.0548 -1.0548 -1.0264 -1.0264 -0.9677 -0.9677 -0.7565 -0.7565 -0.6727 -0.6727 -0.4453 -0.4453 -0.3183 -0.3183 -0.2843 -0.2843 -0.2620 -0.2620 5.0081 5.0081 5.0642 5.0642 5.0951 5.0951 7.3057 7.3057 7.8278 7.8278 7.9237 7.9237 10.0534 10.0534 k = 0.0833 0.1443-0.0000 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7039 -21.7039 -21.6225 -21.6225 -20.1964 -20.1964 -19.8723 -19.8723 -19.8669 -19.8669 -19.5488 -19.5488 -19.5257 -19.5257 -19.4686 -19.4686 -10.3784 -10.3784 -10.3666 -10.3666 -10.3050 -10.3050 -10.2950 -10.2950 -8.0459 -8.0459 -7.9528 -7.9528 -2.7696 -2.7696 -2.7234 -2.7234 -2.6738 -2.6738 -2.6021 -2.6021 -2.4156 -2.4156 -2.3934 -2.3934 -1.7331 -1.7331 -1.7024 -1.7024 -1.6869 -1.6869 -1.0530 -1.0530 -1.0283 -1.0283 -0.9589 -0.9589 -0.7409 -0.7409 -0.6673 -0.6673 -0.4454 -0.4454 -0.3137 -0.3137 -0.2825 -0.2825 -0.2585 -0.2585 5.0057 5.0057 5.0627 5.0627 5.0921 5.0921 7.2704 7.2704 7.8428 7.8428 7.9219 7.9219 10.0674 10.0674 k = 0.0741 0.1283-0.0000 ( 12124 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7053 -21.7053 -21.6220 -21.6220 -20.1954 -20.1954 -19.8714 -19.8714 -19.8670 -19.8670 -19.5484 -19.5484 -19.5254 -19.5254 -19.4698 -19.4698 -10.3791 -10.3791 -10.3678 -10.3678 -10.3053 -10.3053 -10.2952 -10.2952 -8.0470 -8.0470 -7.9518 -7.9518 -2.7612 -2.7612 -2.7227 -2.7227 -2.6757 -2.6757 -2.6097 -2.6097 -2.4154 -2.4154 -2.3973 -2.3973 -1.7432 -1.7432 -1.7030 -1.7030 -1.6919 -1.6919 -1.0515 -1.0515 -1.0299 -1.0299 -0.9509 -0.9509 -0.7265 -0.7265 -0.6621 -0.6621 -0.4456 -0.4456 -0.3096 -0.3096 -0.2808 -0.2808 -0.2551 -0.2551 5.0036 5.0036 5.0613 5.0613 5.0894 5.0894 7.2381 7.2381 7.8568 7.8568 7.9204 7.9204 10.0792 10.0792 k = 0.0648 0.1123-0.0000 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7066 -21.7066 -21.6216 -21.6216 -20.1945 -20.1945 -19.8705 -19.8705 -19.8671 -19.8671 -19.5482 -19.5482 -19.5250 -19.5250 -19.4709 -19.4709 -10.3798 -10.3798 -10.3690 -10.3690 -10.3056 -10.3056 -10.2954 -10.2954 -8.0479 -8.0479 -7.9509 -7.9509 -2.7533 -2.7533 -2.7222 -2.7222 -2.6781 -2.6781 -2.6160 -2.6160 -2.4152 -2.4152 -2.4007 -2.4007 -1.7534 -1.7534 -1.7035 -1.7035 -1.6956 -1.6956 -1.0502 -1.0502 -1.0313 -1.0313 -0.9437 -0.9437 -0.7138 -0.7138 -0.6570 -0.6570 -0.4457 -0.4457 -0.3062 -0.3062 -0.2791 -0.2791 -0.2520 -0.2520 5.0015 5.0015 5.0600 5.0600 5.0871 5.0871 7.2093 7.2093 7.8697 7.8697 7.9193 7.9193 10.0890 10.0890 k = 0.0556 0.0962-0.0000 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7077 -21.7077 -21.6212 -21.6212 -20.1937 -20.1937 -19.8697 -19.8697 -19.8671 -19.8671 -19.5479 -19.5479 -19.5247 -19.5247 -19.4718 -19.4718 -10.3804 -10.3804 -10.3699 -10.3699 -10.3058 -10.3058 -10.2956 -10.2956 -8.0487 -8.0487 -7.9501 -7.9501 -2.7461 -2.7461 -2.7218 -2.7218 -2.6808 -2.6808 -2.6208 -2.6208 -2.4150 -2.4150 -2.4036 -2.4036 -1.7631 -1.7631 -1.7040 -1.7040 -1.6984 -1.6984 -1.0492 -1.0492 -1.0324 -1.0324 -0.9376 -0.9376 -0.7029 -0.7029 -0.6521 -0.6521 -0.4458 -0.4458 -0.3034 -0.3034 -0.2776 -0.2776 -0.2491 -0.2491 4.9997 4.9997 5.0587 5.0587 5.0851 5.0851 7.1839 7.1839 7.8814 7.8814 7.9184 7.9184 10.0970 10.0970 k = 0.0463 0.0802-0.0000 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7086 -21.7086 -21.6209 -21.6209 -20.1930 -20.1930 -19.8690 -19.8690 -19.8672 -19.8672 -19.5477 -19.5477 -19.5245 -19.5245 -19.4726 -19.4726 -10.3810 -10.3810 -10.3707 -10.3707 -10.3060 -10.3060 -10.2957 -10.2957 -8.0494 -8.0494 -7.9495 -7.9495 -2.7399 -2.7399 -2.7216 -2.7216 -2.6836 -2.6836 -2.6244 -2.6244 -2.4149 -2.4149 -2.4059 -2.4059 -1.7719 -1.7719 -1.7044 -1.7044 -1.7004 -1.7004 -1.0486 -1.0486 -1.0331 -1.0331 -0.9323 -0.9323 -0.6939 -0.6939 -0.6473 -0.6473 -0.4458 -0.4458 -0.3012 -0.3012 -0.2762 -0.2762 -0.2466 -0.2466 4.9981 4.9981 5.0575 5.0575 5.0834 5.0834 7.1623 7.1623 7.8916 7.8916 7.9176 7.9176 10.1032 10.1032 k = 0.0370 0.0642-0.0000 ( 12130 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7094 -21.7094 -21.6206 -21.6206 -20.1925 -20.1925 -19.8684 -19.8684 -19.8673 -19.8673 -19.5475 -19.5475 -19.5243 -19.5243 -19.4733 -19.4733 -10.3815 -10.3815 -10.3713 -10.3713 -10.3062 -10.3062 -10.2958 -10.2958 -8.0500 -8.0500 -7.9489 -7.9489 -2.7348 -2.7348 -2.7212 -2.7212 -2.6861 -2.6861 -2.6270 -2.6270 -2.4150 -2.4150 -2.4076 -2.4076 -1.7796 -1.7796 -1.7048 -1.7048 -1.7019 -1.7019 -1.0482 -1.0482 -1.0336 -1.0336 -0.9280 -0.9280 -0.6869 -0.6869 -0.6429 -0.6429 -0.4459 -0.4459 -0.2995 -0.2995 -0.2750 -0.2750 -0.2444 -0.2444 4.9968 4.9968 5.0565 5.0565 5.0821 5.0821 7.1444 7.1444 7.9002 7.9002 7.9171 7.9171 10.1081 10.1081 k = 0.0278 0.0481-0.0000 ( 12118 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7100 -21.7100 -21.6204 -21.6204 -20.1920 -20.1920 -19.8680 -19.8680 -19.8673 -19.8673 -19.5474 -19.5474 -19.5241 -19.5241 -19.4738 -19.4738 -10.3820 -10.3820 -10.3717 -10.3717 -10.3064 -10.3064 -10.2959 -10.2959 -8.0505 -8.0505 -7.9485 -7.9485 -2.7310 -2.7310 -2.7207 -2.7207 -2.6883 -2.6883 -2.6288 -2.6288 -2.4152 -2.4152 -2.4087 -2.4087 -1.7857 -1.7857 -1.7052 -1.7052 -1.7029 -1.7029 -1.0480 -1.0480 -1.0338 -1.0338 -0.9247 -0.9247 -0.6818 -0.6818 -0.6390 -0.6390 -0.4459 -0.4459 -0.2982 -0.2982 -0.2739 -0.2739 -0.2427 -0.2427 4.9957 4.9957 5.0557 5.0557 5.0811 5.0811 7.1304 7.1304 7.9071 7.9071 7.9167 7.9167 10.1116 10.1116 k = 0.0185 0.0321-0.0000 ( 12119 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7105 -21.7105 -21.6203 -21.6203 -20.1917 -20.1917 -19.8676 -19.8676 -19.8673 -19.8673 -19.5473 -19.5473 -19.5240 -19.5240 -19.4742 -19.4742 -10.3823 -10.3823 -10.3721 -10.3721 -10.3065 -10.3065 -10.2960 -10.2960 -8.0508 -8.0508 -7.9482 -7.9482 -2.7287 -2.7287 -2.7200 -2.7200 -2.6900 -2.6900 -2.6299 -2.6299 -2.4154 -2.4154 -2.4094 -2.4094 -1.7903 -1.7903 -1.7056 -1.7056 -1.7036 -1.7036 -1.0479 -1.0479 -1.0339 -1.0339 -0.9223 -0.9223 -0.6783 -0.6783 -0.6360 -0.6360 -0.4459 -0.4459 -0.2973 -0.2973 -0.2732 -0.2732 -0.2415 -0.2415 4.9949 4.9949 5.0550 5.0550 5.0804 5.0804 7.1204 7.1204 7.9120 7.9120 7.9164 7.9164 10.1140 10.1140 k = 0.0093 0.0160-0.0000 ( 12107 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7107 -21.7107 -21.6202 -21.6202 -20.1915 -20.1915 -19.8674 -19.8674 -19.8674 -19.8674 -19.5472 -19.5472 -19.5239 -19.5239 -19.4745 -19.4745 -10.3825 -10.3825 -10.3722 -10.3722 -10.3065 -10.3065 -10.2960 -10.2960 -8.0510 -8.0510 -7.9480 -7.9480 -2.7276 -2.7276 -2.7193 -2.7193 -2.6910 -2.6910 -2.6306 -2.6306 -2.4157 -2.4157 -2.4098 -2.4098 -1.7930 -1.7930 -1.7058 -1.7058 -1.7039 -1.7039 -1.0479 -1.0479 -1.0339 -1.0339 -0.9208 -0.9208 -0.6763 -0.6763 -0.6340 -0.6340 -0.4459 -0.4459 -0.2968 -0.2968 -0.2727 -0.2727 -0.2407 -0.2407 4.9944 4.9944 5.0546 5.0546 5.0800 5.0800 7.1143 7.1143 7.9149 7.9149 7.9164 7.9164 10.1154 10.1154 k = 0.0000 0.0000 0.0000 ( 12091 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7108 -21.7108 -21.6202 -21.6202 -20.1914 -20.1914 -19.8674 -19.8674 -19.8674 -19.8674 -19.5472 -19.5472 -19.5239 -19.5239 -19.4745 -19.4745 -10.3825 -10.3825 -10.3723 -10.3723 -10.3065 -10.3065 -10.2960 -10.2960 -8.0511 -8.0511 -7.9479 -7.9479 -2.7273 -2.7273 -2.7190 -2.7190 -2.6913 -2.6913 -2.6308 -2.6308 -2.4157 -2.4157 -2.4099 -2.4099 -1.7940 -1.7940 -1.7059 -1.7059 -1.7040 -1.7040 -1.0479 -1.0479 -1.0339 -1.0339 -0.9203 -0.9203 -0.6756 -0.6756 -0.6334 -0.6334 -0.4459 -0.4459 -0.2967 -0.2967 -0.2725 -0.2725 -0.2405 -0.2405 4.9943 4.9943 5.0545 5.0545 5.0799 5.0799 7.1123 7.1123 7.9156 7.9156 7.9166 7.9166 10.1158 10.1158 k = 0.0000 0.0000 0.0000 ( 12091 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7108 -21.7108 -21.6202 -21.6202 -20.1914 -20.1914 -19.8674 -19.8674 -19.8674 -19.8674 -19.5472 -19.5472 -19.5239 -19.5239 -19.4745 -19.4745 -10.3825 -10.3825 -10.3723 -10.3723 -10.3065 -10.3065 -10.2960 -10.2960 -8.0511 -8.0511 -7.9479 -7.9479 -2.7273 -2.7273 -2.7190 -2.7190 -2.6913 -2.6913 -2.6308 -2.6308 -2.4157 -2.4157 -2.4099 -2.4099 -1.7940 -1.7940 -1.7059 -1.7059 -1.7040 -1.7040 -1.0479 -1.0479 -1.0339 -1.0339 -0.9203 -0.9203 -0.6756 -0.6756 -0.6334 -0.6334 -0.4459 -0.4459 -0.2967 -0.2967 -0.2725 -0.2725 -0.2405 -0.2405 4.9943 4.9943 5.0545 5.0545 5.0799 5.0799 7.1123 7.1123 7.9156 7.9156 7.9166 7.9166 10.1158 10.1158 k = 0.0000 0.0000 0.0188 ( 12121 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7107 -21.7107 -21.6202 -21.6202 -20.1914 -20.1914 -19.8675 -19.8675 -19.8675 -19.8675 -19.5471 -19.5471 -19.5238 -19.5238 -19.4747 -19.4747 -10.3825 -10.3825 -10.3723 -10.3723 -10.3066 -10.3066 -10.2961 -10.2961 -8.0510 -8.0510 -7.9481 -7.9481 -2.7273 -2.7273 -2.7190 -2.7190 -2.6911 -2.6911 -2.6301 -2.6301 -2.4164 -2.4164 -2.4105 -2.4105 -1.7938 -1.7938 -1.7061 -1.7061 -1.7041 -1.7041 -1.0471 -1.0471 -1.0331 -1.0331 -0.9201 -0.9201 -0.6757 -0.6757 -0.6334 -0.6334 -0.4474 -0.4474 -0.2965 -0.2965 -0.2723 -0.2723 -0.2407 -0.2407 4.9944 4.9944 5.0545 5.0545 5.0798 5.0798 7.1148 7.1148 7.9155 7.9155 7.9165 7.9165 10.1174 10.1174 k = 0.0000 0.0000 0.0375 ( 12127 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3778 -31.3778 -21.7105 -21.7105 -21.6202 -21.6202 -20.1913 -20.1913 -19.8677 -19.8677 -19.8677 -19.8677 -19.5468 -19.5468 -19.5235 -19.5235 -19.4751 -19.4751 -10.3825 -10.3825 -10.3723 -10.3723 -10.3067 -10.3067 -10.2962 -10.2962 -8.0510 -8.0510 -7.9484 -7.9484 -2.7272 -2.7272 -2.7190 -2.7190 -2.6903 -2.6903 -2.6281 -2.6281 -2.4182 -2.4182 -2.4122 -2.4122 -1.7934 -1.7934 -1.7064 -1.7064 -1.7046 -1.7046 -1.0446 -1.0446 -1.0308 -1.0308 -0.9195 -0.9195 -0.6758 -0.6758 -0.6335 -0.6335 -0.4517 -0.4517 -0.2959 -0.2959 -0.2716 -0.2716 -0.2412 -0.2412 4.9948 4.9948 5.0544 5.0544 5.0797 5.0797 7.1223 7.1223 7.9152 7.9152 7.9162 7.9162 10.1219 10.1219 k = 0.0000 0.0000 0.0563 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3779 -31.3779 -21.7101 -21.7101 -21.6202 -21.6202 -20.1910 -20.1910 -19.8682 -19.8682 -19.8682 -19.8682 -19.5464 -19.5464 -19.5230 -19.5230 -19.4757 -19.4757 -10.3824 -10.3824 -10.3722 -10.3722 -10.3069 -10.3069 -10.2964 -10.2964 -8.0508 -8.0508 -7.9491 -7.9491 -2.7272 -2.7272 -2.7191 -2.7191 -2.6891 -2.6891 -2.6248 -2.6248 -2.4212 -2.4212 -2.4150 -2.4150 -1.7928 -1.7928 -1.7071 -1.7071 -1.7053 -1.7053 -1.0405 -1.0405 -1.0269 -1.0269 -0.9186 -0.9186 -0.6761 -0.6761 -0.6337 -0.6337 -0.4587 -0.4587 -0.2949 -0.2949 -0.2705 -0.2705 -0.2421 -0.2421 4.9954 4.9954 5.0542 5.0542 5.0796 5.0796 7.1347 7.1347 7.9146 7.9146 7.9156 7.9156 10.1295 10.1295 k = 0.0000 0.0000 0.0750 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3779 -31.3779 -21.7096 -21.7096 -21.6203 -21.6203 -20.1907 -20.1907 -19.8688 -19.8688 -19.8688 -19.8688 -19.5458 -19.5458 -19.5224 -19.5224 -19.4766 -19.4766 -10.3824 -10.3824 -10.3721 -10.3721 -10.3072 -10.3072 -10.2967 -10.2967 -8.0506 -8.0506 -7.9500 -7.9500 -2.7271 -2.7271 -2.7191 -2.7191 -2.6874 -2.6874 -2.6201 -2.6201 -2.4253 -2.4253 -2.4189 -2.4189 -1.7919 -1.7919 -1.7080 -1.7080 -1.7064 -1.7064 -1.0347 -1.0347 -1.0216 -1.0216 -0.9172 -0.9172 -0.6764 -0.6764 -0.6339 -0.6339 -0.4686 -0.4686 -0.2936 -0.2936 -0.2689 -0.2689 -0.2433 -0.2433 4.9962 4.9962 5.0539 5.0539 5.0794 5.0794 7.1520 7.1520 7.9139 7.9139 7.9149 7.9149 10.1401 10.1401 k = 0.0000 0.0000 0.0938 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3779 -31.3779 -21.7089 -21.7089 -21.6204 -21.6204 -20.1903 -20.1903 -19.8695 -19.8695 -19.8695 -19.8695 -19.5451 -19.5451 -19.5215 -19.5215 -19.4777 -19.4777 -10.3823 -10.3823 -10.3720 -10.3720 -10.3076 -10.3076 -10.2971 -10.2971 -8.0504 -8.0504 -7.9511 -7.9511 -2.7270 -2.7270 -2.7192 -2.7192 -2.6851 -2.6851 -2.6141 -2.6141 -2.4304 -2.4304 -2.4237 -2.4237 -1.7908 -1.7908 -1.7093 -1.7093 -1.7079 -1.7079 -1.0274 -1.0274 -1.0147 -1.0147 -0.9154 -0.9154 -0.6769 -0.6769 -0.6342 -0.6342 -0.4811 -0.4811 -0.2921 -0.2921 -0.2670 -0.2670 -0.2447 -0.2447 4.9973 4.9973 5.0535 5.0535 5.0792 5.0792 7.1742 7.1742 7.9129 7.9129 7.9139 7.9139 10.1537 10.1537 k = 0.0000 0.0000 0.1125 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3779 -31.3779 -21.7081 -21.7081 -21.6205 -21.6205 -20.1898 -20.1898 -19.8705 -19.8705 -19.8705 -19.8705 -19.5442 -19.5442 -19.5206 -19.5206 -19.4790 -19.4790 -10.3822 -10.3822 -10.3719 -10.3719 -10.3080 -10.3080 -10.2975 -10.2975 -8.0500 -8.0500 -7.9524 -7.9524 -2.7270 -2.7270 -2.7194 -2.7194 -2.6824 -2.6824 -2.6068 -2.6068 -2.4364 -2.4364 -2.4294 -2.4294 -1.7896 -1.7896 -1.7109 -1.7109 -1.7098 -1.7098 -1.0185 -1.0185 -1.0063 -1.0063 -0.9132 -0.9132 -0.6775 -0.6775 -0.6345 -0.6345 -0.4961 -0.4961 -0.2904 -0.2904 -0.2648 -0.2648 -0.2464 -0.2464 4.9985 4.9985 5.0531 5.0531 5.0789 5.0789 7.2012 7.2012 7.9118 7.9118 7.9127 7.9127 10.1701 10.1701 k = 0.0000 0.0000 0.1313 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3779 -31.3779 -21.7071 -21.7071 -21.6207 -21.6207 -20.1893 -20.1893 -19.8715 -19.8715 -19.8715 -19.8715 -19.5432 -19.5432 -19.5194 -19.5194 -19.4806 -19.4806 -10.3820 -10.3820 -10.3718 -10.3718 -10.3085 -10.3085 -10.2980 -10.2980 -8.0497 -8.0497 -7.9540 -7.9540 -2.7269 -2.7269 -2.7196 -2.7196 -2.6793 -2.6793 -2.5982 -2.5982 -2.4433 -2.4433 -2.4358 -2.4358 -1.7882 -1.7882 -1.7130 -1.7130 -1.7121 -1.7121 -1.0081 -1.0081 -0.9966 -0.9966 -0.9107 -0.9107 -0.6783 -0.6783 -0.6349 -0.6349 -0.5135 -0.5135 -0.2887 -0.2887 -0.2623 -0.2623 -0.2483 -0.2483 5.0000 5.0000 5.0527 5.0527 5.0785 5.0785 7.2328 7.2328 7.9104 7.9104 7.9114 7.9114 10.1893 10.1893 k = 0.0000 0.0000 0.1501 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3780 -31.3780 -21.7061 -21.7061 -21.6208 -21.6208 -20.1886 -20.1886 -19.8727 -19.8727 -19.8727 -19.8727 -19.5420 -19.5420 -19.5181 -19.5181 -19.4823 -19.4823 -10.3818 -10.3818 -10.3716 -10.3716 -10.3091 -10.3091 -10.2986 -10.2986 -8.0492 -8.0492 -7.9558 -7.9558 -2.7269 -2.7269 -2.7199 -2.7199 -2.6757 -2.6757 -2.5883 -2.5883 -2.4508 -2.4508 -2.4428 -2.4428 -1.7867 -1.7867 -1.7155 -1.7155 -1.7149 -1.7149 -0.9963 -0.9963 -0.9855 -0.9855 -0.9077 -0.9077 -0.6793 -0.6793 -0.6353 -0.6353 -0.5331 -0.5331 -0.2871 -0.2871 -0.2595 -0.2595 -0.2502 -0.2502 5.0016 5.0016 5.0521 5.0521 5.0781 5.0781 7.2691 7.2691 7.9089 7.9089 7.9098 7.9098 10.2111 10.2111 k = 0.0000 0.0000 0.1688 ( 12152 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3780 -31.3780 -21.7048 -21.7048 -21.6210 -21.6210 -20.1879 -20.1879 -19.8740 -19.8740 -19.8740 -19.8740 -19.5408 -19.5408 -19.5167 -19.5167 -19.4842 -19.4842 -10.3817 -10.3817 -10.3714 -10.3714 -10.3097 -10.3097 -10.2993 -10.2993 -8.0488 -8.0488 -7.9578 -7.9578 -2.7269 -2.7269 -2.7203 -2.7203 -2.6716 -2.6716 -2.5772 -2.5772 -2.4589 -2.4589 -2.4502 -2.4502 -1.7852 -1.7852 -1.7185 -1.7185 -1.7182 -1.7182 -0.9832 -0.9832 -0.9732 -0.9732 -0.9044 -0.9044 -0.6807 -0.6807 -0.6357 -0.6357 -0.5545 -0.5545 -0.2858 -0.2858 -0.2567 -0.2567 -0.2520 -0.2520 5.0034 5.0034 5.0515 5.0515 5.0777 5.0777 7.3098 7.3098 7.9071 7.9071 7.9081 7.9081 10.2355 10.2355 k = 0.0000 0.0000 0.1876 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3780 -31.3780 -21.7035 -21.7035 -21.6212 -21.6212 -20.1871 -20.1871 -19.8754 -19.8754 -19.8754 -19.8754 -19.5396 -19.5396 -19.5152 -19.5152 -19.4863 -19.4863 -10.3815 -10.3815 -10.3712 -10.3712 -10.3105 -10.3105 -10.3000 -10.3000 -8.0483 -8.0483 -7.9599 -7.9599 -2.7270 -2.7270 -2.7208 -2.7208 -2.6671 -2.6671 -2.5649 -2.5649 -2.4674 -2.4674 -2.4579 -2.4579 -1.7838 -1.7838 -1.7220 -1.7220 -1.7220 -1.7220 -0.9688 -0.9688 -0.9598 -0.9598 -0.9005 -0.9005 -0.6826 -0.6826 -0.6361 -0.6361 -0.5775 -0.5775 -0.2850 -0.2850 -0.2538 -0.2538 -0.2535 -0.2535 5.0052 5.0052 5.0509 5.0509 5.0773 5.0773 7.3549 7.3549 7.9052 7.9052 7.9062 7.9062 10.2621 10.2621 k = 0.0000 0.0000 0.2063 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3781 -31.3781 -21.7021 -21.7021 -21.6215 -21.6215 -20.1863 -20.1863 -19.8769 -19.8769 -19.8769 -19.8769 -19.5383 -19.5383 -19.5136 -19.5136 -19.4885 -19.4885 -10.3812 -10.3812 -10.3710 -10.3710 -10.3112 -10.3112 -10.3008 -10.3008 -8.0477 -8.0477 -7.9622 -7.9622 -2.7271 -2.7271 -2.7215 -2.7215 -2.6622 -2.6622 -2.5514 -2.5514 -2.4762 -2.4762 -2.4657 -2.4657 -1.7824 -1.7824 -1.7262 -1.7262 -1.7260 -1.7260 -0.9532 -0.9532 -0.9456 -0.9456 -0.8961 -0.8961 -0.6856 -0.6856 -0.6365 -0.6365 -0.6012 -0.6012 -0.2851 -0.2851 -0.2545 -0.2545 -0.2508 -0.2508 5.0072 5.0072 5.0502 5.0502 5.0768 5.0768 7.4042 7.4042 7.9032 7.9032 7.9041 7.9041 10.2907 10.2907 k = 0.0000 0.0000 0.2251 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3965 -31.3965 -31.3781 -31.3781 -21.7006 -21.7006 -21.6217 -21.6217 -20.1854 -20.1854 -19.8785 -19.8785 -19.8784 -19.8784 -19.5370 -19.5370 -19.5119 -19.5119 -19.4907 -19.4907 -10.3810 -10.3810 -10.3707 -10.3707 -10.3120 -10.3120 -10.3016 -10.3016 -8.0471 -8.0471 -7.9647 -7.9647 -2.7273 -2.7273 -2.7224 -2.7224 -2.6570 -2.6570 -2.5370 -2.5370 -2.4851 -2.4851 -2.4734 -2.4734 -1.7812 -1.7812 -1.7308 -1.7308 -1.7304 -1.7304 -0.9366 -0.9366 -0.9308 -0.9308 -0.8909 -0.8909 -0.6909 -0.6909 -0.6369 -0.6369 -0.6243 -0.6243 -0.2862 -0.2862 -0.2548 -0.2548 -0.2479 -0.2479 5.0093 5.0093 5.0494 5.0494 5.0763 5.0763 7.4576 7.4576 7.9010 7.9010 7.9020 7.9020 10.3208 10.3208 k = 0.0000 0.0000 0.2438 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3964 -31.3964 -31.3781 -31.3781 -21.6989 -21.6989 -21.6220 -21.6220 -20.1844 -20.1844 -19.8801 -19.8801 -19.8801 -19.8801 -19.5357 -19.5357 -19.5101 -19.5101 -19.4930 -19.4930 -10.3807 -10.3807 -10.3705 -10.3705 -10.3129 -10.3129 -10.3024 -10.3024 -8.0464 -8.0464 -7.9673 -7.9673 -2.7277 -2.7277 -2.7234 -2.7234 -2.6514 -2.6514 -2.5221 -2.5221 -2.4940 -2.4940 -2.4804 -2.4804 -1.7803 -1.7803 -1.7359 -1.7359 -1.7352 -1.7352 -0.9192 -0.9192 -0.9163 -0.9163 -0.8843 -0.8843 -0.7012 -0.7012 -0.6439 -0.6439 -0.6373 -0.6373 -0.2882 -0.2882 -0.2545 -0.2545 -0.2452 -0.2452 5.0114 5.0114 5.0487 5.0487 5.0758 5.0758 7.5149 7.5149 7.8987 7.8987 7.8996 7.8996 10.3519 10.3519 k = 0.0000 0.0000 0.2626 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3964 -31.3964 -31.3782 -31.3782 -21.6973 -21.6973 -21.6223 -21.6223 -20.1834 -20.1834 -19.8818 -19.8818 -19.8817 -19.8817 -19.5345 -19.5345 -19.5083 -19.5083 -19.4952 -19.4952 -10.3804 -10.3804 -10.3702 -10.3702 -10.3138 -10.3138 -10.3033 -10.3033 -8.0457 -8.0457 -7.9700 -7.9700 -2.7282 -2.7282 -2.7246 -2.7246 -2.6456 -2.6456 -2.5088 -2.5088 -2.5029 -2.5029 -2.4844 -2.4844 -1.7797 -1.7797 -1.7413 -1.7413 -1.7404 -1.7404 -0.9033 -0.9033 -0.9010 -0.9010 -0.8753 -0.8753 -0.7193 -0.7193 -0.6568 -0.6568 -0.6376 -0.6376 -0.2911 -0.2911 -0.2538 -0.2538 -0.2427 -0.2427 5.0136 5.0136 5.0479 5.0479 5.0753 5.0753 7.5759 7.5759 7.8963 7.8963 7.8972 7.8972 10.3831 10.3831 k = 0.0000 0.0000 0.2813 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3964 -31.3964 -31.3782 -31.3782 -21.6955 -21.6955 -21.6227 -21.6227 -20.1824 -20.1824 -19.8834 -19.8834 -19.8834 -19.8834 -19.5335 -19.5335 -19.5065 -19.5065 -19.4974 -19.4974 -10.3802 -10.3802 -10.3699 -10.3699 -10.3147 -10.3147 -10.3043 -10.3043 -8.0450 -8.0450 -7.9728 -7.9728 -2.7288 -2.7288 -2.7260 -2.7260 -2.6395 -2.6395 -2.5115 -2.5115 -2.5050 -2.5050 -2.4775 -2.4775 -1.7795 -1.7795 -1.7470 -1.7470 -1.7460 -1.7460 -0.8931 -0.8931 -0.8822 -0.8822 -0.8626 -0.8626 -0.7443 -0.7443 -0.6638 -0.6638 -0.6379 -0.6379 -0.2948 -0.2948 -0.2529 -0.2529 -0.2404 -0.2404 5.0157 5.0157 5.0470 5.0470 5.0749 5.0749 7.6406 7.6406 7.8938 7.8938 7.8947 7.8947 10.4131 10.4131 k = 0.0000 0.0000 0.3001 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3964 -31.3964 -31.3783 -31.3783 -21.6937 -21.6937 -21.6231 -21.6231 -20.1814 -20.1814 -19.8851 -19.8851 -19.8851 -19.8851 -19.5326 -19.5326 -19.5047 -19.5047 -19.4994 -19.4994 -10.3798 -10.3798 -10.3696 -10.3696 -10.3157 -10.3157 -10.3052 -10.3052 -8.0442 -8.0442 -7.9756 -7.9756 -2.7296 -2.7296 -2.7276 -2.7276 -2.6332 -2.6332 -2.5199 -2.5199 -2.5095 -2.5095 -2.4609 -2.4609 -1.7798 -1.7798 -1.7530 -1.7530 -1.7518 -1.7518 -0.8854 -0.8854 -0.8630 -0.8630 -0.8469 -0.8469 -0.7732 -0.7732 -0.6676 -0.6676 -0.6382 -0.6382 -0.2989 -0.2989 -0.2519 -0.2519 -0.2384 -0.2384 5.0178 5.0178 5.0462 5.0462 5.0744 5.0744 7.7087 7.7087 7.8912 7.8912 7.8922 7.8922 10.4397 10.4397 k = 0.0000 0.0000 0.3189 ( 12080 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3964 -31.3964 -31.3783 -31.3783 -21.6918 -21.6918 -21.6235 -21.6235 -20.1803 -20.1803 -19.8868 -19.8868 -19.8867 -19.8867 -19.5320 -19.5320 -19.5029 -19.5029 -19.5012 -19.5012 -10.3795 -10.3795 -10.3692 -10.3692 -10.3166 -10.3166 -10.3062 -10.3062 -8.0433 -8.0433 -7.9785 -7.9785 -2.7306 -2.7306 -2.7295 -2.7295 -2.6267 -2.6267 -2.5278 -2.5278 -2.5155 -2.5155 -2.4414 -2.4414 -1.7807 -1.7807 -1.7591 -1.7591 -1.7577 -1.7577 -0.8791 -0.8791 -0.8435 -0.8435 -0.8301 -0.8301 -0.8034 -0.8034 -0.6699 -0.6699 -0.6383 -0.6383 -0.3033 -0.3033 -0.2511 -0.2511 -0.2368 -0.2368 5.0199 5.0199 5.0454 5.0454 5.0740 5.0740 7.7801 7.7801 7.8886 7.8886 7.8896 7.8896 10.4598 10.4598 k = 0.0000 0.0000 0.3376 ( 12092 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3964 -31.3964 -31.3784 -31.3784 -21.6900 -21.6900 -21.6239 -21.6239 -20.1792 -20.1792 -19.8884 -19.8884 -19.8884 -19.8884 -19.5317 -19.5317 -19.5027 -19.5027 -19.5011 -19.5011 -10.3792 -10.3792 -10.3689 -10.3689 -10.3176 -10.3176 -10.3072 -10.3072 -8.0425 -8.0425 -7.9815 -7.9815 -2.7318 -2.7318 -2.7315 -2.7315 -2.6202 -2.6202 -2.5353 -2.5353 -2.5215 -2.5215 -2.4204 -2.4204 -1.7823 -1.7823 -1.7653 -1.7653 -1.7638 -1.7638 -0.8734 -0.8734 -0.8378 -0.8378 -0.8239 -0.8239 -0.8091 -0.8091 -0.6713 -0.6713 -0.6384 -0.6384 -0.3081 -0.3081 -0.2504 -0.2504 -0.2355 -0.2355 5.0219 5.0219 5.0445 5.0445 5.0736 5.0736 7.8546 7.8546 7.8860 7.8860 7.8869 7.8869 10.4688 10.4688 k = 0.0000 0.0000 0.3564 ( 12080 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3964 -31.3964 -31.3784 -31.3784 -21.6881 -21.6881 -21.6244 -21.6244 -20.1782 -20.1782 -19.8900 -19.8900 -19.8900 -19.8900 -19.5318 -19.5318 -19.5038 -19.5038 -19.4993 -19.4993 -10.3789 -10.3789 -10.3686 -10.3686 -10.3186 -10.3186 -10.3081 -10.3081 -8.0415 -8.0415 -7.9845 -7.9845 -2.7337 -2.7337 -2.7332 -2.7332 -2.6137 -2.6137 -2.5423 -2.5423 -2.5273 -2.5273 -2.3984 -2.3984 -1.7848 -1.7848 -1.7715 -1.7715 -1.7700 -1.7700 -0.8705 -0.8705 -0.8668 -0.8668 -0.8044 -0.8044 -0.7908 -0.7908 -0.6724 -0.6724 -0.6384 -0.6384 -0.3129 -0.3129 -0.2501 -0.2501 -0.2347 -0.2347 5.0238 5.0238 5.0437 5.0437 5.0732 5.0732 7.8834 7.8834 7.8843 7.8843 7.9320 7.9320 10.4611 10.4611 k = 0.0000 0.0000 0.3751 ( 12098 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3963 -31.3963 -31.3785 -31.3785 -21.6862 -21.6862 -21.6249 -21.6249 -20.1771 -20.1771 -19.8916 -19.8916 -19.8916 -19.8916 -19.5322 -19.5322 -19.5046 -19.5046 -19.4976 -19.4976 -10.3785 -10.3785 -10.3682 -10.3682 -10.3195 -10.3195 -10.3091 -10.3091 -8.0406 -8.0406 -7.9875 -7.9875 -2.7361 -2.7361 -2.7347 -2.7347 -2.6072 -2.6072 -2.5487 -2.5487 -2.5325 -2.5325 -2.3754 -2.3754 -1.7881 -1.7881 -1.7777 -1.7777 -1.7761 -1.7761 -0.9015 -0.9015 -0.8627 -0.8627 -0.7852 -0.7852 -0.7719 -0.7719 -0.6732 -0.6732 -0.6382 -0.6382 -0.3178 -0.3178 -0.2502 -0.2502 -0.2343 -0.2343 5.0256 5.0256 5.0429 5.0429 5.0730 5.0730 7.8809 7.8809 7.8817 7.8817 8.0121 8.0121 10.4328 10.4328 k = 0.0000 0.0000 0.3939 ( 12074 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3963 -31.3963 -31.3785 -31.3785 -21.6844 -21.6844 -21.6254 -21.6254 -20.1761 -20.1761 -19.8931 -19.8931 -19.8931 -19.8931 -19.5331 -19.5331 -19.5050 -19.5050 -19.4960 -19.4960 -10.3782 -10.3782 -10.3679 -10.3679 -10.3205 -10.3205 -10.3100 -10.3100 -8.0395 -8.0395 -7.9904 -7.9904 -2.7386 -2.7386 -2.7364 -2.7364 -2.6008 -2.6008 -2.5545 -2.5545 -2.5373 -2.5373 -2.3516 -2.3516 -1.7924 -1.7924 -1.7838 -1.7838 -1.7820 -1.7820 -0.9330 -0.9330 -0.8578 -0.8578 -0.7664 -0.7664 -0.7531 -0.7531 -0.6738 -0.6738 -0.6379 -0.6379 -0.3227 -0.3227 -0.2506 -0.2506 -0.2343 -0.2343 5.0273 5.0273 5.0421 5.0421 5.0727 5.0727 7.8783 7.8783 7.8792 7.8792 8.0947 8.0947 10.3844 10.3844 k = 0.0000 0.0000 0.4126 ( 12074 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3963 -31.3963 -31.3785 -31.3785 -21.6826 -21.6826 -21.6260 -21.6260 -20.1751 -20.1751 -19.8945 -19.8945 -19.8945 -19.8945 -19.5342 -19.5342 -19.5050 -19.5050 -19.4944 -19.4944 -10.3778 -10.3778 -10.3675 -10.3675 -10.3214 -10.3214 -10.3110 -10.3110 -8.0385 -8.0385 -7.9934 -7.9934 -2.7412 -2.7412 -2.7382 -2.7382 -2.5946 -2.5946 -2.5597 -2.5597 -2.5415 -2.5415 -2.3272 -2.3272 -1.7978 -1.7978 -1.7896 -1.7896 -1.7878 -1.7878 -0.9637 -0.9637 -0.8530 -0.8530 -0.7484 -0.7484 -0.7347 -0.7347 -0.6743 -0.6743 -0.6374 -0.6374 -0.3276 -0.3276 -0.2514 -0.2514 -0.2348 -0.2348 5.0289 5.0289 5.0413 5.0413 5.0725 5.0725 7.8759 7.8759 7.8767 7.8767 8.1798 8.1798 10.3196 10.3196 k = 0.0000 0.0000 0.4314 ( 12062 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3963 -31.3963 -31.3786 -31.3786 -21.6808 -21.6808 -21.6265 -21.6265 -20.1742 -20.1742 -19.8958 -19.8958 -19.8958 -19.8958 -19.5355 -19.5355 -19.5048 -19.5048 -19.4929 -19.4929 -10.3775 -10.3775 -10.3672 -10.3672 -10.3223 -10.3223 -10.3118 -10.3118 -8.0373 -8.0373 -7.9963 -7.9963 -2.7438 -2.7438 -2.7401 -2.7401 -2.5887 -2.5887 -2.5643 -2.5643 -2.5452 -2.5452 -2.3024 -2.3024 -1.8044 -1.8044 -1.7952 -1.7952 -1.7934 -1.7934 -0.9932 -0.9932 -0.8485 -0.8485 -0.7313 -0.7313 -0.7168 -0.7168 -0.6747 -0.6747 -0.6365 -0.6365 -0.3322 -0.3322 -0.2526 -0.2526 -0.2356 -0.2356 5.0303 5.0303 5.0406 5.0406 5.0724 5.0724 7.8736 7.8736 7.8744 7.8744 8.2669 8.2669 10.2432 10.2432 k = 0.0000 0.0000 0.4502 ( 12074 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3963 -31.3963 -31.3786 -31.3786 -21.6791 -21.6791 -21.6271 -21.6271 -20.1733 -20.1733 -19.8971 -19.8971 -19.8971 -19.8971 -19.5370 -19.5370 -19.5044 -19.5044 -19.4916 -19.4916 -10.3772 -10.3772 -10.3668 -10.3668 -10.3231 -10.3231 -10.3127 -10.3127 -8.0361 -8.0361 -7.9991 -7.9991 -2.7464 -2.7464 -2.7420 -2.7420 -2.5831 -2.5831 -2.5683 -2.5683 -2.5485 -2.5485 -2.2772 -2.2772 -1.8121 -1.8121 -1.8005 -1.8005 -1.7987 -1.7987 -1.0210 -1.0210 -0.8442 -0.8442 -0.7156 -0.7156 -0.6997 -0.6997 -0.6749 -0.6749 -0.6353 -0.6353 -0.3367 -0.3367 -0.2541 -0.2541 -0.2368 -0.2368 5.0316 5.0316 5.0400 5.0400 5.0723 5.0723 7.8714 7.8714 7.8722 7.8722 8.3560 8.3560 10.1589 10.1589 k = 0.0000 0.0000 0.4689 ( 12074 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3963 -31.3963 -31.3786 -31.3786 -21.6775 -21.6775 -21.6276 -21.6276 -20.1724 -20.1724 -19.8982 -19.8982 -19.8982 -19.8982 -19.5385 -19.5385 -19.5039 -19.5039 -19.4903 -19.4903 -10.3769 -10.3769 -10.3665 -10.3665 -10.3239 -10.3239 -10.3134 -10.3134 -8.0348 -8.0348 -8.0019 -8.0019 -2.7488 -2.7488 -2.7439 -2.7439 -2.5779 -2.5779 -2.5717 -2.5717 -2.5512 -2.5512 -2.2519 -2.2519 -1.8211 -1.8211 -1.8054 -1.8054 -1.8036 -1.8036 -1.0469 -1.0469 -0.8401 -0.8401 -0.7014 -0.7014 -0.6839 -0.6839 -0.6749 -0.6749 -0.6334 -0.6334 -0.3409 -0.3409 -0.2559 -0.2559 -0.2383 -0.2383 5.0327 5.0327 5.0393 5.0393 5.0723 5.0723 7.8693 7.8693 7.8702 7.8702 8.4468 8.4468 10.0694 10.0694 k = 0.0000 0.0000 0.4877 ( 12098 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3787 -31.3787 -21.6760 -21.6760 -21.6282 -21.6282 -20.1717 -20.1717 -19.8992 -19.8992 -19.8992 -19.8992 -19.5399 -19.5399 -19.5034 -19.5034 -19.4892 -19.4892 -10.3766 -10.3766 -10.3662 -10.3662 -10.3246 -10.3246 -10.3142 -10.3142 -8.0335 -8.0335 -8.0046 -8.0046 -2.7512 -2.7512 -2.7457 -2.7457 -2.5746 -2.5746 -2.5731 -2.5731 -2.5535 -2.5535 -2.2269 -2.2269 -1.8312 -1.8312 -1.8099 -1.8099 -1.8081 -1.8081 -1.0706 -1.0706 -0.8365 -0.8365 -0.6892 -0.6892 -0.6760 -0.6760 -0.6681 -0.6681 -0.6308 -0.6308 -0.3448 -0.3448 -0.2579 -0.2579 -0.2399 -0.2399 5.0336 5.0336 5.0388 5.0388 5.0723 5.0723 7.8675 7.8675 7.8683 7.8683 8.5389 8.5389 9.9764 9.9764 k = 0.0000 0.0000 0.5064 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3787 -31.3787 -21.6747 -21.6747 -21.6287 -21.6287 -20.1710 -20.1710 -19.9001 -19.9001 -19.9001 -19.9001 -19.5413 -19.5413 -19.5029 -19.5029 -19.4882 -19.4882 -10.3763 -10.3763 -10.3660 -10.3660 -10.3252 -10.3252 -10.3148 -10.3148 -8.0321 -8.0321 -8.0072 -8.0072 -2.7533 -2.7533 -2.7475 -2.7475 -2.5771 -2.5771 -2.5689 -2.5689 -2.5554 -2.5554 -2.2024 -2.2024 -1.8423 -1.8423 -1.8138 -1.8138 -1.8120 -1.8120 -1.0917 -1.0917 -0.8332 -0.8332 -0.6794 -0.6794 -0.6759 -0.6759 -0.6548 -0.6548 -0.6273 -0.6273 -0.3483 -0.3483 -0.2600 -0.2600 -0.2417 -0.2417 5.0344 5.0344 5.0383 5.0383 5.0724 5.0724 7.8658 7.8658 7.8666 7.8666 8.6320 8.6320 9.8813 9.8813 k = 0.0000 0.0000 0.5252 ( 12110 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3787 -31.3787 -21.6735 -21.6735 -21.6292 -21.6292 -20.1704 -20.1704 -19.9009 -19.9009 -19.9009 -19.9009 -19.5425 -19.5425 -19.5024 -19.5024 -19.4874 -19.4874 -10.3761 -10.3761 -10.3657 -10.3657 -10.3258 -10.3258 -10.3154 -10.3154 -8.0307 -8.0307 -8.0097 -8.0097 -2.7553 -2.7553 -2.7490 -2.7490 -2.5791 -2.5791 -2.5653 -2.5653 -2.5569 -2.5569 -2.1790 -2.1790 -1.8541 -1.8541 -1.8172 -1.8172 -1.8155 -1.8155 -1.1100 -1.1100 -0.8303 -0.8303 -0.6760 -0.6760 -0.6720 -0.6720 -0.6430 -0.6430 -0.6230 -0.6230 -0.3513 -0.3513 -0.2621 -0.2621 -0.2435 -0.2435 5.0351 5.0351 5.0379 5.0379 5.0724 5.0724 7.8644 7.8644 7.8652 7.8652 8.7256 8.7256 9.7854 9.7854 k = 0.0000 0.0000 0.5439 ( 12086 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3787 -31.3787 -21.6725 -21.6725 -21.6296 -21.6296 -20.1699 -20.1699 -19.9015 -19.9015 -19.9015 -19.9015 -19.5435 -19.5435 -19.5019 -19.5019 -19.4867 -19.4867 -10.3759 -10.3759 -10.3655 -10.3655 -10.3262 -10.3262 -10.3158 -10.3158 -8.0292 -8.0292 -8.0121 -8.0121 -2.7569 -2.7569 -2.7504 -2.7504 -2.5806 -2.5806 -2.5623 -2.5623 -2.5580 -2.5580 -2.1573 -2.1573 -1.8661 -1.8661 -1.8201 -1.8201 -1.8184 -1.8184 -1.1252 -1.1252 -0.8279 -0.8279 -0.6761 -0.6761 -0.6669 -0.6669 -0.6329 -0.6329 -0.6182 -0.6182 -0.3539 -0.3539 -0.2640 -0.2640 -0.2452 -0.2452 5.0356 5.0356 5.0375 5.0375 5.0725 5.0725 7.8632 7.8632 7.8640 7.8640 8.8187 8.8187 9.6898 9.6898 k = 0.0000 0.0000 0.5627 ( 12098 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6717 -21.6717 -21.6299 -21.6299 -20.1696 -20.1696 -19.9020 -19.9020 -19.9020 -19.9020 -19.5444 -19.5444 -19.5016 -19.5016 -19.4861 -19.4861 -10.3757 -10.3757 -10.3654 -10.3654 -10.3266 -10.3266 -10.3162 -10.3162 -8.0276 -8.0276 -8.0144 -8.0144 -2.7582 -2.7582 -2.7515 -2.7515 -2.5818 -2.5818 -2.5605 -2.5605 -2.5582 -2.5582 -2.1382 -2.1382 -1.8775 -1.8775 -1.8223 -1.8223 -1.8206 -1.8206 -1.1373 -1.1373 -0.8260 -0.8260 -0.6762 -0.6762 -0.6636 -0.6636 -0.6248 -0.6248 -0.6136 -0.6136 -0.3560 -0.3560 -0.2657 -0.2657 -0.2466 -0.2466 5.0360 5.0360 5.0372 5.0372 5.0726 5.0726 7.8623 7.8623 7.8631 7.8631 8.9098 8.9098 9.5966 9.5966 k = 0.0000 0.0000 0.5814 ( 12086 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6711 -21.6711 -21.6302 -21.6302 -20.1693 -20.1693 -19.9024 -19.9024 -19.9024 -19.9024 -19.5450 -19.5450 -19.5013 -19.5013 -19.4857 -19.4857 -10.3756 -10.3756 -10.3653 -10.3653 -10.3269 -10.3269 -10.3165 -10.3165 -8.0260 -8.0260 -8.0164 -8.0164 -2.7591 -2.7591 -2.7523 -2.7523 -2.5826 -2.5826 -2.5603 -2.5603 -2.5573 -2.5573 -2.1230 -2.1230 -1.8873 -1.8873 -1.8240 -1.8240 -1.8223 -1.8223 -1.1460 -1.1460 -0.8246 -0.8246 -0.6762 -0.6762 -0.6615 -0.6615 -0.6189 -0.6189 -0.6099 -0.6099 -0.3574 -0.3574 -0.2670 -0.2670 -0.2478 -0.2478 5.0363 5.0363 5.0370 5.0370 5.0726 5.0726 7.8616 7.8616 7.8624 7.8624 8.9952 8.9952 9.5097 9.5097 k = 0.0000 0.0000 0.6002 ( 12086 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6707 -21.6707 -21.6303 -21.6303 -20.1691 -20.1691 -19.9026 -19.9026 -19.9026 -19.9026 -19.5454 -19.5454 -19.5012 -19.5012 -19.4855 -19.4855 -10.3755 -10.3755 -10.3652 -10.3652 -10.3270 -10.3270 -10.3166 -10.3166 -8.0247 -8.0247 -8.0181 -8.0181 -2.7597 -2.7597 -2.7528 -2.7528 -2.5831 -2.5831 -2.5606 -2.5606 -2.5564 -2.5564 -2.1129 -2.1129 -1.8940 -1.8940 -1.8249 -1.8249 -1.8233 -1.8233 -1.1513 -1.1513 -0.8237 -0.8237 -0.6762 -0.6762 -0.6604 -0.6604 -0.6153 -0.6153 -0.6075 -0.6075 -0.3584 -0.3584 -0.2678 -0.2678 -0.2485 -0.2485 5.0365 5.0365 5.0369 5.0369 5.0727 5.0727 7.8612 7.8612 7.8620 7.8620 9.0650 9.0650 9.4388 9.4388 k = 0.0000 0.0000 0.6190 ( 12086 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6706 -21.6706 -21.6304 -21.6304 -20.1691 -20.1691 -19.9027 -19.9027 -19.9027 -19.9027 -19.5455 -19.5455 -19.5011 -19.5011 -19.4854 -19.4854 -10.3755 -10.3755 -10.3652 -10.3652 -10.3271 -10.3271 -10.3167 -10.3167 -8.0240 -8.0240 -8.0188 -8.0188 -2.7599 -2.7599 -2.7529 -2.7529 -2.5833 -2.5833 -2.5606 -2.5606 -2.5560 -2.5560 -2.1094 -2.1094 -1.8964 -1.8964 -1.8253 -1.8253 -1.8236 -1.8236 -1.1530 -1.1530 -0.8235 -0.8235 -0.6762 -0.6762 -0.6601 -0.6601 -0.6141 -0.6141 -0.6066 -0.6066 -0.3587 -0.3587 -0.2681 -0.2681 -0.2487 -0.2487 5.0365 5.0365 5.0368 5.0368 5.0727 5.0727 7.8610 7.8610 7.8618 7.8618 9.0953 9.0953 9.4082 9.4082 k = 0.0000 0.0000 0.6190 ( 12086 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6706 -21.6706 -21.6304 -21.6304 -20.1691 -20.1691 -19.9027 -19.9027 -19.9027 -19.9027 -19.5455 -19.5455 -19.5011 -19.5011 -19.4854 -19.4854 -10.3755 -10.3755 -10.3652 -10.3652 -10.3271 -10.3271 -10.3167 -10.3167 -8.0240 -8.0240 -8.0188 -8.0188 -2.7599 -2.7599 -2.7529 -2.7529 -2.5833 -2.5833 -2.5606 -2.5606 -2.5560 -2.5560 -2.1094 -2.1094 -1.8964 -1.8964 -1.8253 -1.8253 -1.8236 -1.8236 -1.1530 -1.1530 -0.8235 -0.8235 -0.6762 -0.6762 -0.6601 -0.6601 -0.6141 -0.6141 -0.6066 -0.6066 -0.3587 -0.3587 -0.2681 -0.2681 -0.2487 -0.2487 5.0365 5.0365 5.0368 5.0368 5.0727 5.0727 7.8610 7.8610 7.8618 7.8618 9.0953 9.0953 9.4082 9.4082 k = 0.0161 0.0093 0.6190 ( 12074 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6706 -21.6706 -21.6304 -21.6304 -20.1690 -20.1690 -19.9027 -19.9027 -19.9027 -19.9027 -19.5455 -19.5455 -19.5012 -19.5012 -19.4855 -19.4855 -10.3755 -10.3755 -10.3652 -10.3652 -10.3270 -10.3270 -10.3166 -10.3166 -8.0240 -8.0240 -8.0188 -8.0188 -2.7603 -2.7603 -2.7532 -2.7532 -2.5831 -2.5831 -2.5605 -2.5605 -2.5557 -2.5557 -2.1092 -2.1092 -1.8958 -1.8958 -1.8253 -1.8253 -1.8236 -1.8236 -1.1526 -1.1526 -0.8239 -0.8239 -0.6768 -0.6768 -0.6605 -0.6605 -0.6141 -0.6141 -0.6068 -0.6068 -0.3589 -0.3589 -0.2682 -0.2682 -0.2489 -0.2489 5.0367 5.0367 5.0369 5.0369 5.0728 5.0728 7.8602 7.8602 7.8616 7.8616 9.0965 9.0965 9.4105 9.4105 k = 0.0323 0.0186 0.6190 ( 12084 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6705 -21.6705 -21.6304 -21.6304 -20.1688 -20.1688 -19.9029 -19.9029 -19.9027 -19.9027 -19.5454 -19.5454 -19.5013 -19.5013 -19.4856 -19.4856 -10.3754 -10.3754 -10.3651 -10.3651 -10.3267 -10.3267 -10.3164 -10.3164 -8.0240 -8.0240 -8.0189 -8.0189 -2.7614 -2.7614 -2.7540 -2.7540 -2.5827 -2.5827 -2.5599 -2.5599 -2.5545 -2.5545 -2.1086 -2.1086 -1.8940 -1.8940 -1.8256 -1.8256 -1.8232 -1.8232 -1.1515 -1.1515 -0.8252 -0.8252 -0.6785 -0.6785 -0.6616 -0.6616 -0.6142 -0.6142 -0.6074 -0.6074 -0.3598 -0.3598 -0.2687 -0.2687 -0.2493 -0.2493 5.0368 5.0368 5.0374 5.0374 5.0732 5.0732 7.8569 7.8569 7.8615 7.8615 9.1003 9.1003 9.4173 9.4173 k = 0.0484 0.0279 0.6190 ( 12086 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6703 -21.6703 -21.6304 -21.6304 -20.1685 -20.1685 -19.9032 -19.9032 -19.9027 -19.9027 -19.5453 -19.5453 -19.5015 -19.5015 -19.4859 -19.4859 -10.3753 -10.3753 -10.3651 -10.3651 -10.3263 -10.3263 -10.3161 -10.3161 -8.0239 -8.0239 -8.0189 -8.0189 -2.7636 -2.7636 -2.7551 -2.7551 -2.5821 -2.5821 -2.5591 -2.5591 -2.5525 -2.5525 -2.1077 -2.1077 -1.8912 -1.8912 -1.8264 -1.8264 -1.8224 -1.8224 -1.1495 -1.1495 -0.8274 -0.8274 -0.6815 -0.6815 -0.6633 -0.6633 -0.6144 -0.6144 -0.6082 -0.6082 -0.3612 -0.3612 -0.2695 -0.2695 -0.2500 -0.2500 5.0370 5.0370 5.0384 5.0384 5.0738 5.0738 7.8513 7.8513 7.8615 7.8615 9.1067 9.1067 9.4285 9.4285 k = 0.0645 0.0372 0.6190 ( 12082 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6700 -21.6700 -21.6304 -21.6304 -20.1681 -20.1681 -19.9036 -19.9036 -19.9027 -19.9027 -19.5452 -19.5452 -19.5018 -19.5018 -19.4862 -19.4862 -10.3751 -10.3751 -10.3650 -10.3650 -10.3258 -10.3258 -10.3157 -10.3157 -8.0238 -8.0238 -8.0190 -8.0190 -2.7670 -2.7670 -2.7561 -2.7561 -2.5814 -2.5814 -2.5577 -2.5577 -2.5495 -2.5495 -2.1063 -2.1063 -1.8874 -1.8874 -1.8276 -1.8276 -1.8210 -1.8210 -1.1468 -1.1468 -0.8305 -0.8305 -0.6860 -0.6860 -0.6655 -0.6655 -0.6146 -0.6146 -0.6092 -0.6092 -0.3632 -0.3632 -0.2707 -0.2707 -0.2509 -0.2509 5.0371 5.0371 5.0398 5.0398 5.0747 5.0747 7.8437 7.8437 7.8616 7.8616 9.1155 9.1155 9.4440 9.4440 k = 0.0806 0.0466 0.6190 ( 12082 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6697 -21.6697 -21.6305 -21.6305 -20.1676 -20.1676 -19.9041 -19.9041 -19.9027 -19.9027 -19.5450 -19.5450 -19.5022 -19.5022 -19.4866 -19.4866 -10.3750 -10.3750 -10.3649 -10.3649 -10.3251 -10.3251 -10.3152 -10.3152 -8.0237 -8.0237 -8.0191 -8.0191 -2.7716 -2.7716 -2.7571 -2.7571 -2.5809 -2.5809 -2.5558 -2.5558 -2.5457 -2.5457 -2.1046 -2.1046 -1.8827 -1.8827 -1.8290 -1.8290 -1.8193 -1.8193 -1.1434 -1.1434 -0.8346 -0.8346 -0.6921 -0.6921 -0.6678 -0.6678 -0.6151 -0.6151 -0.6101 -0.6101 -0.3658 -0.3658 -0.2724 -0.2724 -0.2519 -0.2519 5.0372 5.0372 5.0415 5.0415 5.0759 5.0759 7.8342 7.8342 7.8616 7.8616 9.1268 9.1268 9.4636 9.4636 k = 0.0968 0.0559 0.6190 ( 12102 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6694 -21.6694 -21.6305 -21.6305 -20.1670 -20.1670 -19.9047 -19.9047 -19.9026 -19.9026 -19.5448 -19.5448 -19.5026 -19.5026 -19.4870 -19.4870 -10.3748 -10.3748 -10.3647 -10.3647 -10.3242 -10.3242 -10.3146 -10.3146 -8.0235 -8.0235 -8.0193 -8.0193 -2.7773 -2.7773 -2.7580 -2.7580 -2.5806 -2.5806 -2.5532 -2.5532 -2.5410 -2.5410 -2.1025 -2.1025 -1.8775 -1.8775 -1.8305 -1.8305 -1.8171 -1.8171 -1.1393 -1.1393 -0.8396 -0.8396 -0.6998 -0.6998 -0.6703 -0.6703 -0.6160 -0.6160 -0.6108 -0.6108 -0.3688 -0.3688 -0.2746 -0.2746 -0.2530 -0.2530 5.0372 5.0372 5.0436 5.0436 5.0774 5.0774 7.8230 7.8230 7.8617 7.8617 9.1406 9.1406 9.4872 9.4872 k = 0.1129 0.0652 0.6190 ( 12108 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6689 -21.6689 -21.6306 -21.6306 -20.1663 -20.1663 -19.9055 -19.9055 -19.9026 -19.9026 -19.5447 -19.5447 -19.5032 -19.5032 -19.4875 -19.4875 -10.3747 -10.3747 -10.3644 -10.3644 -10.3233 -10.3233 -10.3139 -10.3139 -8.0233 -8.0233 -8.0194 -8.0194 -2.7839 -2.7839 -2.7590 -2.7590 -2.5807 -2.5807 -2.5497 -2.5497 -2.5355 -2.5355 -2.1000 -2.1000 -1.8721 -1.8721 -1.8316 -1.8316 -1.8146 -1.8146 -1.1346 -1.1346 -0.8455 -0.8455 -0.7092 -0.7092 -0.6728 -0.6728 -0.6173 -0.6173 -0.6111 -0.6111 -0.3725 -0.3725 -0.2774 -0.2774 -0.2540 -0.2540 5.0372 5.0372 5.0459 5.0459 5.0793 5.0793 7.8103 7.8103 7.8618 7.8618 9.1568 9.1568 9.5145 9.5145 k = 0.1290 0.0745 0.6190 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6684 -21.6684 -21.6306 -21.6306 -20.1655 -20.1655 -19.9063 -19.9063 -19.9026 -19.9026 -19.5445 -19.5445 -19.5039 -19.5039 -19.4880 -19.4880 -10.3746 -10.3746 -10.3639 -10.3639 -10.3222 -10.3222 -10.3131 -10.3131 -8.0231 -8.0231 -8.0196 -8.0196 -2.7914 -2.7914 -2.7600 -2.7600 -2.5811 -2.5811 -2.5453 -2.5453 -2.5292 -2.5292 -2.0972 -2.0972 -1.8674 -1.8674 -1.8317 -1.8317 -1.8117 -1.8117 -1.1293 -1.1293 -0.8524 -0.8524 -0.7202 -0.7202 -0.6754 -0.6754 -0.6188 -0.6188 -0.6111 -0.6111 -0.3766 -0.3766 -0.2808 -0.2808 -0.2549 -0.2549 5.0372 5.0372 5.0485 5.0485 5.0815 5.0815 7.7964 7.7964 7.8619 7.8619 9.1753 9.1753 9.5452 9.5452 k = 0.1452 0.0838 0.6190 ( 12116 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6678 -21.6678 -21.6307 -21.6307 -20.1646 -20.1646 -19.9071 -19.9071 -19.9026 -19.9026 -19.5443 -19.5443 -19.5047 -19.5047 -19.4884 -19.4884 -10.3746 -10.3746 -10.3634 -10.3634 -10.3211 -10.3211 -10.3122 -10.3122 -8.0229 -8.0229 -8.0198 -8.0198 -2.7995 -2.7995 -2.7611 -2.7611 -2.5819 -2.5819 -2.5401 -2.5401 -2.5222 -2.5222 -2.0939 -2.0939 -1.8643 -1.8643 -1.8297 -1.8297 -1.8086 -1.8086 -1.1235 -1.1235 -0.8603 -0.8603 -0.7327 -0.7327 -0.6778 -0.6778 -0.6206 -0.6206 -0.6107 -0.6107 -0.3812 -0.3812 -0.2847 -0.2847 -0.2558 -0.2558 5.0370 5.0370 5.0513 5.0513 5.0840 5.0840 7.7814 7.7814 7.8621 7.8621 9.1962 9.1962 9.5792 9.5792 k = 0.1613 0.0931 0.6190 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6672 -21.6672 -21.6308 -21.6308 -20.1636 -20.1636 -19.9081 -19.9081 -19.9026 -19.9026 -19.5441 -19.5441 -19.5055 -19.5055 -19.4889 -19.4889 -10.3746 -10.3746 -10.3626 -10.3626 -10.3199 -10.3199 -10.3113 -10.3113 -8.0227 -8.0227 -8.0200 -8.0200 -2.8082 -2.8082 -2.7622 -2.7622 -2.5829 -2.5829 -2.5343 -2.5343 -2.5146 -2.5146 -2.0903 -2.0903 -1.8638 -1.8638 -1.8251 -1.8251 -1.8052 -1.8052 -1.1172 -1.1172 -0.8691 -0.8691 -0.7465 -0.7465 -0.6802 -0.6802 -0.6225 -0.6225 -0.6102 -0.6102 -0.3864 -0.3864 -0.2892 -0.2892 -0.2566 -0.2566 5.0367 5.0367 5.0543 5.0543 5.0868 5.0868 7.7657 7.7657 7.8622 7.8622 9.2194 9.2194 9.6161 9.6161 k = 0.1774 0.1024 0.6190 ( 12122 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6665 -21.6665 -21.6309 -21.6309 -20.1626 -20.1626 -19.9090 -19.9090 -19.9026 -19.9026 -19.5440 -19.5440 -19.5065 -19.5065 -19.4894 -19.4894 -10.3746 -10.3746 -10.3617 -10.3617 -10.3187 -10.3187 -10.3104 -10.3104 -8.0225 -8.0225 -8.0202 -8.0202 -2.8173 -2.8173 -2.7634 -2.7634 -2.5841 -2.5841 -2.5277 -2.5277 -2.5063 -2.5063 -2.0863 -2.0863 -1.8654 -1.8654 -1.8181 -1.8181 -1.8016 -1.8016 -1.1106 -1.1106 -0.8787 -0.8787 -0.7614 -0.7614 -0.6825 -0.6825 -0.6244 -0.6244 -0.6095 -0.6095 -0.3919 -0.3919 -0.2942 -0.2942 -0.2572 -0.2572 5.0363 5.0363 5.0574 5.0574 5.0899 5.0899 7.7494 7.7494 7.8624 7.8624 9.2447 9.2447 9.6559 9.6559 k = 0.1935 0.1117 0.6190 ( 12132 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6658 -21.6658 -21.6311 -21.6311 -20.1615 -20.1615 -19.9101 -19.9101 -19.9026 -19.9026 -19.5439 -19.5439 -19.5074 -19.5074 -19.4898 -19.4898 -10.3748 -10.3748 -10.3607 -10.3607 -10.3174 -10.3174 -10.3094 -10.3094 -8.0223 -8.0223 -8.0203 -8.0203 -2.8268 -2.8268 -2.7646 -2.7646 -2.5855 -2.5855 -2.5207 -2.5207 -2.4975 -2.4975 -2.0819 -2.0819 -1.8686 -1.8686 -1.8095 -1.8095 -1.7977 -1.7977 -1.1036 -1.1036 -0.8891 -0.8891 -0.7775 -0.7775 -0.6846 -0.6846 -0.6264 -0.6264 -0.6085 -0.6085 -0.3979 -0.3979 -0.2997 -0.2997 -0.2578 -0.2578 5.0358 5.0358 5.0606 5.0606 5.0933 5.0933 7.7328 7.7328 7.8625 7.8625 9.2722 9.2722 9.6981 9.6981 k = 0.2097 0.1211 0.6190 ( 12132 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6650 -21.6650 -21.6312 -21.6312 -20.1604 -20.1604 -19.9111 -19.9111 -19.9026 -19.9026 -19.5439 -19.5439 -19.5085 -19.5085 -19.4902 -19.4902 -10.3749 -10.3749 -10.3596 -10.3596 -10.3161 -10.3161 -10.3084 -10.3084 -8.0222 -8.0222 -8.0204 -8.0204 -2.8365 -2.8365 -2.7659 -2.7659 -2.5870 -2.5870 -2.5131 -2.5131 -2.4883 -2.4883 -2.0771 -2.0771 -1.8727 -1.8727 -1.8001 -1.8001 -1.7937 -1.7937 -1.0964 -1.0964 -0.9002 -0.9002 -0.7944 -0.7944 -0.6866 -0.6866 -0.6283 -0.6283 -0.6074 -0.6074 -0.4042 -0.4042 -0.3055 -0.3055 -0.2584 -0.2584 5.0352 5.0352 5.0639 5.0639 5.0969 5.0969 7.7160 7.7160 7.8627 7.8627 9.3018 9.3018 9.7427 9.7427 k = 0.2258 0.1304 0.6190 ( 12140 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6642 -21.6642 -21.6314 -21.6314 -20.1592 -20.1592 -19.9122 -19.9122 -19.9026 -19.9026 -19.5439 -19.5439 -19.5095 -19.5095 -19.4906 -19.4906 -10.3751 -10.3751 -10.3583 -10.3583 -10.3147 -10.3147 -10.3074 -10.3074 -8.0222 -8.0222 -8.0203 -8.0203 -2.8463 -2.8463 -2.7672 -2.7672 -2.5886 -2.5886 -2.5052 -2.5052 -2.4787 -2.4787 -2.0720 -2.0720 -1.8774 -1.8774 -1.7907 -1.7907 -1.7889 -1.7889 -1.0891 -1.0891 -0.9119 -0.9119 -0.8120 -0.8120 -0.6884 -0.6884 -0.6303 -0.6303 -0.6060 -0.6060 -0.4109 -0.4109 -0.3117 -0.3117 -0.2589 -0.2589 5.0345 5.0345 5.0672 5.0672 5.1007 5.1007 7.6992 7.6992 7.8629 7.8629 9.3332 9.3332 9.7894 9.7894 k = 0.2419 0.1397 0.6190 ( 12140 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6634 -21.6634 -21.6316 -21.6316 -20.1580 -20.1580 -19.9133 -19.9133 -19.9025 -19.9025 -19.5441 -19.5441 -19.5106 -19.5106 -19.4909 -19.4909 -10.3753 -10.3753 -10.3570 -10.3570 -10.3134 -10.3134 -10.3064 -10.3064 -8.0223 -8.0223 -8.0202 -8.0202 -2.8561 -2.8561 -2.7685 -2.7685 -2.5902 -2.5902 -2.4969 -2.4969 -2.4688 -2.4688 -2.0666 -2.0666 -1.8825 -1.8825 -1.7858 -1.7858 -1.7794 -1.7794 -1.0817 -1.0817 -0.9241 -0.9241 -0.8301 -0.8301 -0.6901 -0.6901 -0.6322 -0.6322 -0.6045 -0.6045 -0.4178 -0.4178 -0.3181 -0.3181 -0.2594 -0.2594 5.0338 5.0338 5.0704 5.0704 5.1046 5.1046 7.6827 7.6827 7.8631 7.8631 9.3666 9.3666 9.8381 9.8381 k = 0.2581 0.1490 0.6190 ( 12148 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6625 -21.6625 -21.6319 -21.6319 -20.1568 -20.1568 -19.9143 -19.9143 -19.9025 -19.9025 -19.5443 -19.5443 -19.5115 -19.5115 -19.4912 -19.4912 -10.3755 -10.3755 -10.3556 -10.3556 -10.3121 -10.3121 -10.3054 -10.3054 -8.0225 -8.0225 -8.0200 -8.0200 -2.8657 -2.8657 -2.7698 -2.7698 -2.5917 -2.5917 -2.4884 -2.4884 -2.4588 -2.4588 -2.0608 -2.0608 -1.8878 -1.8878 -1.7815 -1.7815 -1.7691 -1.7691 -1.0744 -1.0744 -0.9365 -0.9365 -0.8486 -0.8486 -0.6915 -0.6915 -0.6340 -0.6340 -0.6028 -0.6028 -0.4250 -0.4250 -0.3248 -0.3248 -0.2598 -0.2598 5.0330 5.0330 5.0737 5.0737 5.1085 5.1085 7.6664 7.6664 7.8633 7.8633 9.4017 9.4017 9.8885 9.8885 k = 0.2742 0.1583 0.6190 ( 12156 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6616 -21.6616 -21.6321 -21.6321 -20.1556 -20.1556 -19.9154 -19.9154 -19.9025 -19.9025 -19.5447 -19.5447 -19.5125 -19.5125 -19.4914 -19.4914 -10.3758 -10.3758 -10.3541 -10.3541 -10.3108 -10.3108 -10.3045 -10.3045 -8.0227 -8.0227 -8.0197 -8.0197 -2.8752 -2.8752 -2.7711 -2.7711 -2.5933 -2.5933 -2.4798 -2.4798 -2.4486 -2.4486 -2.0548 -2.0548 -1.8934 -1.8934 -1.7773 -1.7773 -1.7588 -1.7588 -1.0672 -1.0672 -0.9491 -0.9491 -0.8673 -0.8673 -0.6929 -0.6929 -0.6358 -0.6358 -0.6008 -0.6008 -0.4324 -0.4324 -0.3315 -0.3315 -0.2602 -0.2602 5.0322 5.0322 5.0768 5.0768 5.1125 5.1125 7.6507 7.6507 7.8634 7.8634 9.4384 9.4384 9.9406 9.9406 k = 0.2903 0.1676 0.6190 ( 12148 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6607 -21.6607 -21.6324 -21.6324 -20.1544 -20.1544 -19.9164 -19.9164 -19.9025 -19.9025 -19.5451 -19.5451 -19.5133 -19.5133 -19.4917 -19.4917 -10.3760 -10.3760 -10.3526 -10.3526 -10.3096 -10.3096 -10.3037 -10.3037 -8.0229 -8.0229 -8.0195 -8.0195 -2.8844 -2.8844 -2.7724 -2.7724 -2.5948 -2.5948 -2.4712 -2.4712 -2.4386 -2.4386 -2.0486 -2.0486 -1.8990 -1.8990 -1.7732 -1.7732 -1.7487 -1.7487 -1.0603 -1.0603 -0.9617 -0.9617 -0.8858 -0.8858 -0.6941 -0.6941 -0.6375 -0.6375 -0.5987 -0.5987 -0.4399 -0.4399 -0.3383 -0.3383 -0.2606 -0.2606 5.0314 5.0314 5.0799 5.0799 5.1165 5.1165 7.6355 7.6355 7.8636 7.8636 9.4766 9.4766 9.9940 9.9940 k = 0.3065 0.1769 0.6190 ( 12154 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6598 -21.6598 -21.6327 -21.6327 -20.1533 -20.1533 -19.9174 -19.9174 -19.9025 -19.9025 -19.5457 -19.5457 -19.5141 -19.5141 -19.4918 -19.4918 -10.3762 -10.3762 -10.3512 -10.3512 -10.3084 -10.3084 -10.3028 -10.3028 -8.0232 -8.0232 -8.0192 -8.0192 -2.8933 -2.8933 -2.7737 -2.7737 -2.5963 -2.5963 -2.4626 -2.4626 -2.4287 -2.4287 -2.0421 -2.0421 -1.9046 -1.9046 -1.7692 -1.7692 -1.7390 -1.7390 -1.0538 -1.0538 -0.9741 -0.9741 -0.9041 -0.9041 -0.6951 -0.6951 -0.6391 -0.6391 -0.5963 -0.5963 -0.4476 -0.4476 -0.3451 -0.3451 -0.2609 -0.2609 5.0305 5.0305 5.0828 5.0828 5.1204 5.1204 7.6211 7.6211 7.8638 7.8638 9.5162 9.5162 10.0488 10.0488 k = 0.3226 0.1862 0.6190 ( 12146 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6588 -21.6588 -21.6331 -21.6331 -20.1521 -20.1521 -19.9184 -19.9184 -19.9025 -19.9025 -19.5463 -19.5463 -19.5147 -19.5147 -19.4920 -19.4920 -10.3764 -10.3764 -10.3497 -10.3497 -10.3073 -10.3073 -10.3021 -10.3021 -8.0234 -8.0234 -8.0189 -8.0189 -2.9017 -2.9017 -2.7749 -2.7749 -2.5977 -2.5977 -2.4542 -2.4542 -2.4190 -2.4190 -2.0356 -2.0356 -1.9101 -1.9101 -1.7654 -1.7654 -1.7298 -1.7298 -1.0480 -1.0480 -0.9860 -0.9860 -0.9218 -0.9218 -0.6961 -0.6961 -0.6405 -0.6405 -0.5937 -0.5937 -0.4552 -0.4552 -0.3518 -0.3518 -0.2613 -0.2613 5.0297 5.0297 5.0856 5.0856 5.1241 5.1241 7.6075 7.6075 7.8640 7.8640 9.5570 9.5570 10.1046 10.1046 k = 0.3387 0.1956 0.6190 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6579 -21.6579 -21.6334 -21.6334 -20.1511 -20.1511 -19.9193 -19.9193 -19.9025 -19.9025 -19.5470 -19.5470 -19.5153 -19.5153 -19.4922 -19.4922 -10.3766 -10.3766 -10.3482 -10.3482 -10.3062 -10.3062 -10.3014 -10.3014 -8.0236 -8.0236 -8.0186 -8.0186 -2.9095 -2.9095 -2.7760 -2.7760 -2.5989 -2.5989 -2.4461 -2.4461 -2.4097 -2.4097 -2.0290 -2.0290 -1.9155 -1.9155 -1.7617 -1.7617 -1.7210 -1.7210 -1.0432 -1.0432 -0.9970 -0.9970 -0.9386 -0.9386 -0.6969 -0.6969 -0.6418 -0.6418 -0.5909 -0.5909 -0.4629 -0.4629 -0.3582 -0.3582 -0.2616 -0.2616 5.0289 5.0289 5.0883 5.0883 5.1277 5.1277 7.5948 7.5948 7.8642 7.8642 9.5988 9.5988 10.1613 10.1613 k = 0.3548 0.2049 0.6190 ( 12148 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6570 -21.6570 -21.6338 -21.6338 -20.1500 -20.1500 -19.9201 -19.9201 -19.9025 -19.9025 -19.5478 -19.5478 -19.5157 -19.5157 -19.4923 -19.4923 -10.3768 -10.3768 -10.3468 -10.3468 -10.3052 -10.3052 -10.3008 -10.3008 -8.0239 -8.0239 -8.0183 -8.0183 -2.9169 -2.9169 -2.7771 -2.7771 -2.6001 -2.6001 -2.4383 -2.4383 -2.4010 -2.4010 -2.0224 -2.0224 -1.9206 -1.9206 -1.7583 -1.7583 -1.7129 -1.7129 -1.0400 -1.0400 -1.0068 -1.0068 -0.9542 -0.9542 -0.6976 -0.6976 -0.6430 -0.6430 -0.5879 -0.5879 -0.4705 -0.4705 -0.3644 -0.3644 -0.2619 -0.2619 5.0281 5.0281 5.0907 5.0907 5.1311 5.1311 7.5831 7.5831 7.8644 7.8644 9.6414 9.6414 10.2187 10.2187 k = 0.3710 0.2142 0.6190 ( 12154 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6562 -21.6562 -21.6342 -21.6342 -20.1491 -20.1491 -19.9208 -19.9208 -19.9024 -19.9024 -19.5485 -19.5485 -19.5161 -19.5161 -19.4924 -19.4924 -10.3769 -10.3769 -10.3455 -10.3455 -10.3042 -10.3042 -10.3003 -10.3003 -8.0241 -8.0241 -8.0181 -8.0181 -2.9236 -2.9236 -2.7780 -2.7780 -2.6012 -2.6012 -2.4310 -2.4310 -2.3928 -2.3928 -2.0160 -2.0160 -1.9255 -1.9255 -1.7551 -1.7551 -1.7055 -1.7055 -1.0396 -1.0396 -1.0143 -1.0143 -0.9679 -0.9679 -0.6982 -0.6982 -0.6440 -0.6440 -0.5846 -0.5846 -0.4780 -0.4780 -0.3703 -0.3703 -0.2622 -0.2622 5.0274 5.0274 5.0930 5.0930 5.1342 5.1342 7.5725 7.5725 7.8645 7.8645 9.6846 9.6846 10.2763 10.2763 k = 0.3871 0.2235 0.6190 ( 12158 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6553 -21.6553 -21.6346 -21.6346 -20.1483 -20.1483 -19.9215 -19.9215 -19.9024 -19.9024 -19.5493 -19.5493 -19.5164 -19.5164 -19.4925 -19.4925 -10.3771 -10.3771 -10.3443 -10.3443 -10.3034 -10.3034 -10.2998 -10.2998 -8.0243 -8.0243 -8.0179 -8.0179 -2.9296 -2.9296 -2.7789 -2.7789 -2.6022 -2.6022 -2.4242 -2.4242 -2.3853 -2.3853 -2.0099 -2.0099 -1.9300 -1.9300 -1.7522 -1.7522 -1.6988 -1.6988 -1.0429 -1.0429 -1.0192 -1.0192 -0.9790 -0.9790 -0.6987 -0.6987 -0.6449 -0.6449 -0.5812 -0.5812 -0.4852 -0.4852 -0.3757 -0.3757 -0.2624 -0.2624 5.0267 5.0267 5.0950 5.0950 5.1370 5.1370 7.5630 7.5630 7.8647 7.8647 9.7281 9.7281 10.3325 10.3325 k = 0.4032 0.2328 0.6190 ( 12156 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6546 -21.6546 -21.6349 -21.6349 -20.1475 -20.1475 -19.9221 -19.9221 -19.9024 -19.9024 -19.5500 -19.5500 -19.5166 -19.5166 -19.4926 -19.4926 -10.3772 -10.3772 -10.3432 -10.3432 -10.3026 -10.3026 -10.2995 -10.2995 -8.0245 -8.0245 -8.0176 -8.0176 -2.9349 -2.9349 -2.7797 -2.7797 -2.6030 -2.6030 -2.4181 -2.4181 -2.3786 -2.3786 -2.0041 -2.0041 -1.9341 -1.9341 -1.7496 -1.7496 -1.6930 -1.6930 -1.0486 -1.0486 -1.0234 -1.0234 -0.9865 -0.9865 -0.6991 -0.6991 -0.6457 -0.6457 -0.5777 -0.5777 -0.4922 -0.4922 -0.3806 -0.3806 -0.2627 -0.2627 5.0261 5.0261 5.0968 5.0968 5.1395 5.1395 7.5546 7.5546 7.8648 7.8648 9.7714 9.7714 10.3798 10.3798 k = 0.4194 0.2421 0.6190 ( 12146 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6539 -21.6539 -21.6353 -21.6353 -20.1468 -20.1468 -19.9226 -19.9226 -19.9024 -19.9024 -19.5506 -19.5506 -19.5167 -19.5167 -19.4926 -19.4926 -10.3773 -10.3773 -10.3422 -10.3422 -10.3019 -10.3019 -10.2992 -10.2992 -8.0246 -8.0246 -8.0175 -8.0175 -2.9395 -2.9395 -2.7804 -2.7804 -2.6037 -2.6037 -2.4128 -2.4128 -2.3727 -2.3727 -1.9989 -1.9989 -1.9377 -1.9377 -1.7474 -1.7474 -1.6880 -1.6880 -1.0549 -1.0549 -1.0285 -1.0285 -0.9902 -0.9902 -0.6995 -0.6995 -0.6463 -0.6463 -0.5741 -0.5741 -0.4988 -0.4988 -0.3849 -0.3849 -0.2628 -0.2628 5.0256 5.0256 5.0983 5.0983 5.1417 5.1417 7.5475 7.5475 7.8649 7.8649 9.8140 9.8140 10.3831 10.3831 k = 0.4355 0.2514 0.6190 ( 12144 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6533 -21.6533 -21.6356 -21.6356 -20.1463 -20.1463 -19.9231 -19.9231 -19.9024 -19.9024 -19.5512 -19.5512 -19.5169 -19.5169 -19.4927 -19.4927 -10.3774 -10.3774 -10.3414 -10.3414 -10.3013 -10.3013 -10.2990 -10.2990 -8.0248 -8.0248 -8.0173 -8.0173 -2.9433 -2.9433 -2.7809 -2.7809 -2.6043 -2.6043 -2.4083 -2.4083 -2.3679 -2.3679 -1.9944 -1.9944 -1.9409 -1.9409 -1.7456 -1.7456 -1.6839 -1.6839 -1.0607 -1.0607 -1.0344 -1.0344 -0.9913 -0.9913 -0.6998 -0.6998 -0.6468 -0.6468 -0.5705 -0.5705 -0.5049 -0.5049 -0.3885 -0.3885 -0.2630 -0.2630 5.0252 5.0252 5.0996 5.0996 5.1435 5.1435 7.5416 7.5416 7.8650 7.8650 9.8548 9.8548 10.3509 10.3509 k = 0.4516 0.2607 0.6190 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6528 -21.6528 -21.6359 -21.6359 -20.1459 -20.1459 -19.9234 -19.9234 -19.9024 -19.9024 -19.5517 -19.5517 -19.5169 -19.5169 -19.4927 -19.4927 -10.3774 -10.3774 -10.3408 -10.3408 -10.3008 -10.3008 -10.2989 -10.2989 -8.0249 -8.0249 -8.0172 -8.0172 -2.9462 -2.9462 -2.7814 -2.7814 -2.6048 -2.6048 -2.4048 -2.4048 -2.3640 -2.3640 -1.9907 -1.9907 -1.9434 -1.9434 -1.7441 -1.7441 -1.6806 -1.6806 -1.0656 -1.0656 -1.0399 -1.0399 -0.9912 -0.9912 -0.7000 -0.7000 -0.6471 -0.6471 -0.5671 -0.5671 -0.5102 -0.5102 -0.3914 -0.3914 -0.2631 -0.2631 5.0248 5.0248 5.1006 5.1006 5.1449 5.1449 7.5370 7.5370 7.8651 7.8651 9.8925 9.8925 10.3152 10.3152 k = 0.4677 0.2701 0.6190 ( 12142 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6524 -21.6524 -21.6361 -21.6361 -20.1456 -20.1456 -19.9236 -19.9236 -19.9024 -19.9024 -19.5520 -19.5520 -19.5170 -19.5170 -19.4927 -19.4927 -10.3775 -10.3775 -10.3403 -10.3403 -10.3005 -10.3005 -10.2988 -10.2988 -8.0250 -8.0250 -8.0171 -8.0171 -2.9484 -2.9484 -2.7817 -2.7817 -2.6051 -2.6051 -2.4022 -2.4022 -2.3612 -2.3612 -1.9879 -1.9879 -1.9453 -1.9453 -1.7431 -1.7431 -1.6783 -1.6783 -1.0692 -1.0692 -1.0442 -1.0442 -0.9907 -0.9907 -0.7002 -0.7002 -0.6474 -0.6474 -0.5642 -0.5642 -0.5145 -0.5145 -0.3935 -0.3935 -0.2632 -0.2632 5.0246 5.0246 5.1013 5.1013 5.1460 5.1460 7.5336 7.5336 7.8652 7.8652 9.9246 9.9246 10.2838 10.2838 k = 0.4839 0.2794 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6522 -21.6522 -21.6362 -21.6362 -20.1454 -20.1454 -19.9238 -19.9238 -19.9024 -19.9024 -19.5522 -19.5522 -19.5170 -19.5170 -19.4928 -19.4928 -10.3775 -10.3775 -10.3400 -10.3400 -10.3002 -10.3002 -10.2988 -10.2988 -8.0250 -8.0250 -8.0171 -8.0171 -2.9496 -2.9496 -2.7819 -2.7819 -2.6053 -2.6053 -2.4006 -2.4006 -2.3595 -2.3595 -1.9861 -1.9861 -1.9464 -1.9464 -1.7424 -1.7424 -1.6769 -1.6769 -1.0715 -1.0715 -1.0470 -1.0470 -0.9903 -0.9903 -0.7003 -0.7003 -0.6475 -0.6475 -0.5622 -0.5622 -0.5174 -0.5174 -0.3948 -0.3948 -0.2633 -0.2633 5.0244 5.0244 5.1017 5.1017 5.1466 5.1466 7.5316 7.5316 7.8652 7.8652 9.9471 9.9471 10.2616 10.2616 k = 0.5000 0.2887 0.6190 ( 12140 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6521 -21.6521 -21.6363 -21.6363 -20.1453 -20.1453 -19.9238 -19.9238 -19.9024 -19.9024 -19.5523 -19.5523 -19.5170 -19.5170 -19.4928 -19.4928 -10.3775 -10.3775 -10.3399 -10.3399 -10.3002 -10.3002 -10.2988 -10.2988 -8.0250 -8.0250 -8.0170 -8.0170 -2.9501 -2.9501 -2.7819 -2.7819 -2.6054 -2.6054 -2.4001 -2.4001 -2.3589 -2.3589 -1.9855 -1.9855 -1.9468 -1.9468 -1.7422 -1.7422 -1.6765 -1.6765 -1.0722 -1.0722 -1.0479 -1.0479 -0.9901 -0.9901 -0.7003 -0.7003 -0.6476 -0.6476 -0.5615 -0.5615 -0.5184 -0.5184 -0.3952 -0.3952 -0.2633 -0.2633 5.0244 5.0244 5.1019 5.1019 5.1468 5.1468 7.5310 7.5310 7.8652 7.8652 9.9554 9.9554 10.2533 10.2533 k = 0.5000 0.2887 0.6190 ( 12140 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6521 -21.6521 -21.6363 -21.6363 -20.1453 -20.1453 -19.9238 -19.9238 -19.9024 -19.9024 -19.5523 -19.5523 -19.5170 -19.5170 -19.4928 -19.4928 -10.3775 -10.3775 -10.3399 -10.3399 -10.3002 -10.3002 -10.2988 -10.2988 -8.0250 -8.0250 -8.0170 -8.0170 -2.9501 -2.9501 -2.7819 -2.7819 -2.6054 -2.6054 -2.4001 -2.4001 -2.3589 -2.3589 -1.9855 -1.9855 -1.9468 -1.9468 -1.7422 -1.7422 -1.6765 -1.6765 -1.0722 -1.0722 -1.0479 -1.0479 -0.9901 -0.9901 -0.7003 -0.7003 -0.6476 -0.6476 -0.5615 -0.5615 -0.5184 -0.5184 -0.3952 -0.3952 -0.2633 -0.2633 5.0244 5.0244 5.1019 5.1019 5.1468 5.1468 7.5310 7.5310 7.8652 7.8652 9.9554 9.9554 10.2533 10.2533 k = 0.4907 0.3047 0.6190 ( 12144 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6521 -21.6521 -21.6363 -21.6363 -20.1453 -20.1453 -19.9238 -19.9238 -19.9025 -19.9025 -19.5522 -19.5522 -19.5171 -19.5171 -19.4928 -19.4928 -10.3774 -10.3774 -10.3399 -10.3399 -10.3015 -10.3015 -10.2975 -10.2975 -8.0250 -8.0250 -8.0171 -8.0171 -2.9498 -2.9498 -2.7825 -2.7825 -2.6048 -2.6048 -2.4004 -2.4004 -2.3590 -2.3590 -1.9856 -1.9856 -1.9461 -1.9461 -1.7426 -1.7426 -1.6764 -1.6764 -1.0720 -1.0720 -1.0475 -1.0475 -0.9900 -0.9900 -0.7012 -0.7012 -0.6476 -0.6476 -0.5618 -0.5618 -0.5184 -0.5184 -0.3949 -0.3949 -0.2636 -0.2636 5.0246 5.0246 5.1018 5.1018 5.1468 5.1468 7.5315 7.5315 7.8643 7.8643 9.9562 9.9562 10.2540 10.2540 k = 0.4815 0.3208 0.6190 ( 12140 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6520 -21.6520 -21.6364 -21.6364 -20.1452 -20.1452 -19.9237 -19.9237 -19.9027 -19.9027 -19.5520 -19.5520 -19.5171 -19.5171 -19.4931 -19.4931 -10.3771 -10.3771 -10.3400 -10.3400 -10.3034 -10.3034 -10.2957 -10.2957 -8.0249 -8.0249 -8.0171 -8.0171 -2.9492 -2.9492 -2.7842 -2.7842 -2.6032 -2.6032 -2.4014 -2.4014 -2.3591 -2.3591 -1.9857 -1.9857 -1.9441 -1.9441 -1.7435 -1.7435 -1.6763 -1.6763 -1.0712 -1.0712 -1.0465 -1.0465 -0.9897 -0.9897 -0.7039 -0.7039 -0.6475 -0.6475 -0.5628 -0.5628 -0.5184 -0.5184 -0.3940 -0.3940 -0.2644 -0.2644 5.0253 5.0253 5.1014 5.1014 5.1468 5.1468 7.5332 7.5332 7.8617 7.8617 9.9589 9.9589 10.2558 10.2558 k = 0.4722 0.3368 0.6190 ( 12132 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6518 -21.6518 -21.6365 -21.6365 -20.1450 -20.1450 -19.9236 -19.9236 -19.9030 -19.9030 -19.5516 -19.5516 -19.5171 -19.5171 -19.4934 -19.4934 -10.3767 -10.3767 -10.3400 -10.3400 -10.3053 -10.3053 -10.2939 -10.2939 -8.0248 -8.0248 -8.0172 -8.0172 -2.9481 -2.9481 -2.7869 -2.7869 -2.6006 -2.6006 -2.4031 -2.4031 -2.3594 -2.3594 -1.9859 -1.9859 -1.9409 -1.9409 -1.7452 -1.7452 -1.6761 -1.6761 -1.0700 -1.0700 -1.0448 -1.0448 -0.9891 -0.9891 -0.7084 -0.7084 -0.6474 -0.6474 -0.5644 -0.5644 -0.5183 -0.5183 -0.3925 -0.3925 -0.2659 -0.2659 5.0265 5.0265 5.1009 5.1009 5.1467 5.1467 7.5360 7.5360 7.8574 7.8574 9.9632 9.9632 10.2588 10.2588 k = 0.4630 0.3528 0.6190 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6516 -21.6516 -21.6366 -21.6366 -20.1448 -20.1448 -19.9235 -19.9235 -19.9034 -19.9034 -19.5511 -19.5511 -19.5172 -19.5172 -19.4940 -19.4940 -10.3760 -10.3760 -10.3401 -10.3401 -10.3072 -10.3072 -10.2921 -10.2921 -8.0247 -8.0247 -8.0173 -8.0173 -2.9466 -2.9466 -2.7907 -2.7907 -2.5969 -2.5969 -2.4054 -2.4054 -2.3597 -2.3597 -1.9862 -1.9862 -1.9364 -1.9364 -1.7474 -1.7474 -1.6759 -1.6759 -1.0683 -1.0683 -1.0424 -1.0424 -0.9883 -0.9883 -0.7148 -0.7148 -0.6472 -0.6472 -0.5665 -0.5665 -0.5182 -0.5182 -0.3904 -0.3904 -0.2678 -0.2678 5.0280 5.0280 5.1002 5.1002 5.1467 5.1467 7.5399 7.5399 7.8514 7.8514 9.9693 9.9693 10.2627 10.2627 k = 0.4537 0.3689 0.6190 ( 12132 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6513 -21.6513 -21.6368 -21.6368 -20.1446 -20.1446 -19.9233 -19.9233 -19.9040 -19.9040 -19.5504 -19.5504 -19.5172 -19.5172 -19.4946 -19.4946 -10.3752 -10.3752 -10.3402 -10.3402 -10.3091 -10.3091 -10.2904 -10.2904 -8.0246 -8.0246 -8.0175 -8.0175 -2.9447 -2.9447 -2.7954 -2.7954 -2.5922 -2.5922 -2.4083 -2.4083 -2.3601 -2.3601 -1.9865 -1.9865 -1.9308 -1.9308 -1.7503 -1.7503 -1.6756 -1.6756 -1.0661 -1.0661 -1.0394 -1.0394 -0.9872 -0.9872 -0.7229 -0.7229 -0.6468 -0.6468 -0.5692 -0.5692 -0.5181 -0.5181 -0.3879 -0.3879 -0.2703 -0.2703 5.0300 5.0300 5.0993 5.0993 5.1467 5.1467 7.5448 7.5448 7.8439 7.8439 9.9770 9.9770 10.2675 10.2675 k = 0.4444 0.3849 0.6190 ( 12130 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6509 -21.6509 -21.6371 -21.6371 -20.1443 -20.1443 -19.9230 -19.9230 -19.9047 -19.9047 -19.5497 -19.5497 -19.5173 -19.5173 -19.4954 -19.4954 -10.3743 -10.3743 -10.3404 -10.3404 -10.3110 -10.3110 -10.2888 -10.2888 -8.0244 -8.0244 -8.0176 -8.0176 -2.9424 -2.9424 -2.8009 -2.8009 -2.5866 -2.5866 -2.4117 -2.4117 -2.3606 -2.3606 -1.9869 -1.9869 -1.9242 -1.9242 -1.7537 -1.7537 -1.6752 -1.6752 -1.0635 -1.0635 -1.0358 -1.0358 -0.9859 -0.9859 -0.7328 -0.7328 -0.6462 -0.6462 -0.5723 -0.5723 -0.5180 -0.5180 -0.3849 -0.3849 -0.2733 -0.2733 5.0323 5.0323 5.0982 5.0982 5.1466 5.1466 7.5507 7.5507 7.8349 7.8349 9.9864 9.9864 10.2728 10.2728 k = 0.4352 0.4009 0.6190 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6505 -21.6505 -21.6374 -21.6374 -20.1440 -20.1440 -19.9227 -19.9227 -19.9054 -19.9054 -19.5489 -19.5489 -19.5173 -19.5173 -19.4963 -19.4963 -10.3732 -10.3732 -10.3405 -10.3405 -10.3128 -10.3128 -10.2873 -10.2873 -8.0242 -8.0242 -8.0178 -8.0178 -2.9396 -2.9396 -2.8071 -2.8071 -2.5802 -2.5802 -2.4158 -2.4158 -2.3612 -2.3612 -1.9873 -1.9873 -1.9168 -1.9168 -1.7577 -1.7577 -1.6749 -1.6749 -1.0606 -1.0606 -1.0317 -1.0317 -0.9843 -0.9843 -0.7444 -0.7444 -0.6453 -0.6453 -0.5757 -0.5757 -0.5179 -0.5179 -0.3816 -0.3816 -0.2768 -0.2768 5.0350 5.0350 5.0969 5.0969 5.1466 5.1466 7.5576 7.5576 7.8247 7.8247 9.9974 9.9974 10.2784 10.2784 k = 0.4259 0.4170 0.6190 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6501 -21.6501 -21.6377 -21.6377 -20.1436 -20.1436 -19.9224 -19.9224 -19.9063 -19.9063 -19.5480 -19.5480 -19.5173 -19.5173 -19.4973 -19.4973 -10.3721 -10.3721 -10.3406 -10.3406 -10.3147 -10.3147 -10.2858 -10.2858 -8.0239 -8.0239 -8.0181 -8.0181 -2.9365 -2.9365 -2.8139 -2.8139 -2.5729 -2.5729 -2.4203 -2.4203 -2.3619 -2.3619 -1.9877 -1.9877 -1.9086 -1.9086 -1.7622 -1.7622 -1.6745 -1.6745 -1.0573 -1.0573 -1.0271 -1.0271 -0.9823 -0.9823 -0.7575 -0.7575 -0.6442 -0.6442 -0.5794 -0.5794 -0.5177 -0.5177 -0.3779 -0.3779 -0.2807 -0.2807 5.0378 5.0378 5.0955 5.0955 5.1465 5.1465 7.5654 7.5654 7.8133 7.8133 10.0100 10.0100 10.2838 10.2838 k = 0.4167 0.4330 0.6190 ( 12142 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6496 -21.6496 -21.6381 -21.6381 -20.1433 -20.1433 -19.9220 -19.9220 -19.9072 -19.9072 -19.5471 -19.5471 -19.5173 -19.5173 -19.4984 -19.4984 -10.3709 -10.3709 -10.3406 -10.3406 -10.3165 -10.3165 -10.2845 -10.2845 -8.0237 -8.0237 -8.0183 -8.0183 -2.9331 -2.9331 -2.8212 -2.8212 -2.5650 -2.5650 -2.4252 -2.4252 -2.3626 -2.3626 -1.9881 -1.9881 -1.9000 -1.9000 -1.7671 -1.7671 -1.6740 -1.6740 -1.0536 -1.0536 -1.0223 -1.0223 -0.9797 -0.9797 -0.7719 -0.7719 -0.6429 -0.6429 -0.5833 -0.5833 -0.5176 -0.5176 -0.3740 -0.3740 -0.2849 -0.2849 5.0409 5.0409 5.0939 5.0939 5.1465 5.1465 7.5741 7.5741 7.8010 7.8010 10.0242 10.0242 10.2886 10.2886 k = 0.4074 0.4491 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6490 -21.6490 -21.6385 -21.6385 -20.1429 -20.1429 -19.9216 -19.9216 -19.9082 -19.9082 -19.5462 -19.5462 -19.5172 -19.5172 -19.4995 -19.4995 -10.3697 -10.3697 -10.3406 -10.3406 -10.3182 -10.3182 -10.2832 -10.2832 -8.0234 -8.0234 -8.0186 -8.0186 -2.9292 -2.9292 -2.8288 -2.8288 -2.5566 -2.5566 -2.4305 -2.4305 -2.3634 -2.3634 -1.9885 -1.9885 -1.8910 -1.8910 -1.7725 -1.7725 -1.6736 -1.6736 -1.0497 -1.0497 -1.0173 -1.0173 -0.9766 -0.9766 -0.7875 -0.7875 -0.6413 -0.6413 -0.5873 -0.5873 -0.5175 -0.5175 -0.3699 -0.3699 -0.2895 -0.2895 5.0441 5.0441 5.0922 5.0922 5.1465 5.1465 7.5835 7.5835 7.7879 7.7879 10.0399 10.0399 10.2922 10.2922 k = 0.3981 0.4651 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6484 -21.6484 -21.6390 -21.6390 -20.1425 -20.1425 -19.9211 -19.9211 -19.9092 -19.9092 -19.5453 -19.5453 -19.5170 -19.5170 -19.5007 -19.5007 -10.3685 -10.3685 -10.3405 -10.3405 -10.3199 -10.3199 -10.2821 -10.2821 -8.0231 -8.0231 -8.0189 -8.0189 -2.9251 -2.9251 -2.8366 -2.8366 -2.5477 -2.5477 -2.4362 -2.4362 -2.3642 -2.3642 -1.9888 -1.9888 -1.8817 -1.8817 -1.7782 -1.7782 -1.6732 -1.6732 -1.0456 -1.0456 -1.0126 -1.0126 -0.9727 -0.9727 -0.8039 -0.8039 -0.6395 -0.6395 -0.5915 -0.5915 -0.5174 -0.5174 -0.3656 -0.3656 -0.2943 -0.2943 5.0473 5.0473 5.0905 5.0905 5.1465 5.1465 7.5935 7.5935 7.7741 7.7741 10.0570 10.0570 10.2941 10.2941 k = 0.3889 0.4811 0.6190 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6478 -21.6478 -21.6395 -21.6395 -20.1422 -20.1422 -19.9205 -19.9205 -19.9102 -19.9102 -19.5445 -19.5445 -19.5167 -19.5167 -19.5019 -19.5019 -10.3673 -10.3673 -10.3404 -10.3404 -10.3215 -10.3215 -10.2811 -10.2811 -8.0228 -8.0228 -8.0192 -8.0192 -2.9206 -2.9206 -2.8444 -2.8444 -2.5385 -2.5385 -2.4421 -2.4421 -2.3651 -2.3651 -1.9891 -1.9891 -1.8724 -1.8724 -1.7843 -1.7843 -1.6728 -1.6728 -1.0413 -1.0413 -1.0083 -1.0083 -0.9678 -0.9678 -0.8211 -0.8211 -0.6375 -0.6375 -0.5956 -0.5956 -0.5173 -0.5173 -0.3612 -0.3612 -0.2992 -0.2992 5.0505 5.0505 5.0887 5.0887 5.1465 5.1465 7.6043 7.6043 7.7600 7.7600 10.0755 10.0755 10.2937 10.2937 k = 0.3796 0.4972 0.6190 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6471 -21.6471 -21.6400 -21.6400 -20.1419 -20.1419 -19.9199 -19.9199 -19.9113 -19.9113 -19.5438 -19.5438 -19.5163 -19.5163 -19.5031 -19.5031 -10.3663 -10.3663 -10.3401 -10.3401 -10.3231 -10.3231 -10.2802 -10.2802 -8.0225 -8.0225 -8.0195 -8.0195 -2.9159 -2.9159 -2.8523 -2.8523 -2.5293 -2.5293 -2.4481 -2.4481 -2.3659 -2.3659 -1.9893 -1.9893 -1.8632 -1.8632 -1.7906 -1.7906 -1.6725 -1.6725 -1.0369 -1.0369 -1.0046 -1.0046 -0.9619 -0.9619 -0.8386 -0.8386 -0.6352 -0.6352 -0.5998 -0.5998 -0.5173 -0.5173 -0.3568 -0.3568 -0.3043 -0.3043 5.0536 5.0536 5.0869 5.0869 5.1465 5.1465 7.6155 7.6155 7.7456 7.7456 10.0953 10.0953 10.2902 10.2902 k = 0.3704 0.5132 0.6190 ( 12158 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6464 -21.6464 -21.6406 -21.6406 -20.1416 -20.1416 -19.9192 -19.9192 -19.9123 -19.9123 -19.5433 -19.5433 -19.5159 -19.5159 -19.5043 -19.5043 -10.3654 -10.3654 -10.3397 -10.3397 -10.3245 -10.3245 -10.2795 -10.2795 -8.0221 -8.0221 -8.0198 -8.0198 -2.9109 -2.9109 -2.8599 -2.8599 -2.5203 -2.5203 -2.4542 -2.4542 -2.3667 -2.3667 -1.9894 -1.9894 -1.8543 -1.8543 -1.7970 -1.7970 -1.6721 -1.6721 -1.0325 -1.0325 -1.0017 -1.0017 -0.9549 -0.9549 -0.8560 -0.8560 -0.6327 -0.6327 -0.6038 -0.6038 -0.5173 -0.5173 -0.3524 -0.3524 -0.3093 -0.3093 5.0564 5.0564 5.0853 5.0853 5.1465 5.1465 7.6271 7.6271 7.7312 7.7312 10.1165 10.1165 10.2832 10.2832 k = 0.3611 0.5292 0.6190 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6457 -21.6457 -21.6413 -21.6413 -20.1413 -20.1413 -19.9185 -19.9185 -19.9133 -19.9133 -19.5428 -19.5428 -19.5154 -19.5154 -19.5053 -19.5053 -10.3648 -10.3648 -10.3392 -10.3392 -10.3257 -10.3257 -10.2789 -10.2789 -8.0218 -8.0218 -8.0201 -8.0201 -2.9058 -2.9058 -2.8673 -2.8673 -2.5118 -2.5118 -2.4602 -2.4602 -2.3674 -2.3674 -1.9895 -1.9895 -1.8457 -1.8457 -1.8036 -1.8036 -1.6719 -1.6719 -1.0283 -1.0283 -0.9997 -0.9997 -0.9470 -0.9470 -0.8728 -0.8728 -0.6301 -0.6301 -0.6077 -0.6077 -0.5173 -0.5173 -0.3482 -0.3482 -0.3141 -0.3141 5.0588 5.0588 5.0838 5.0838 5.1465 5.1465 7.6392 7.6392 7.7169 7.7169 10.1389 10.1389 10.2722 10.2722 k = 0.3519 0.5453 0.6190 ( 12146 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6449 -21.6449 -21.6419 -21.6419 -20.1412 -20.1412 -19.9178 -19.9178 -19.9143 -19.9143 -19.5425 -19.5425 -19.5149 -19.5149 -19.5062 -19.5062 -10.3643 -10.3643 -10.3387 -10.3387 -10.3268 -10.3268 -10.2785 -10.2785 -8.0215 -8.0215 -8.0204 -8.0204 -2.9006 -2.9006 -2.8741 -2.8741 -2.5044 -2.5044 -2.4656 -2.4656 -2.3679 -2.3679 -1.9895 -1.9895 -1.8376 -1.8376 -1.8103 -1.8103 -1.6716 -1.6716 -1.0245 -1.0245 -0.9985 -0.9985 -0.9385 -0.9385 -0.8884 -0.8884 -0.6274 -0.6274 -0.6113 -0.6113 -0.5173 -0.5173 -0.3444 -0.3444 -0.3184 -0.3184 5.0607 5.0607 5.0826 5.0826 5.1466 5.1466 7.6514 7.6514 7.7029 7.7029 10.1624 10.1624 10.2569 10.2569 k = 0.3426 0.5613 0.6190 ( 12146 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6442 -21.6442 -21.6426 -21.6426 -20.1411 -20.1411 -19.9170 -19.9170 -19.9152 -19.9152 -19.5424 -19.5424 -19.5146 -19.5146 -19.5068 -19.5068 -10.3640 -10.3640 -10.3383 -10.3383 -10.3275 -10.3275 -10.2783 -10.2783 -8.0212 -8.0212 -8.0207 -8.0207 -2.8956 -2.8956 -2.8801 -2.8801 -2.4988 -2.4988 -2.4698 -2.4698 -2.3683 -2.3683 -1.9895 -1.9895 -1.8302 -1.8302 -1.8169 -1.8169 -1.6715 -1.6715 -1.0217 -1.0217 -0.9980 -0.9980 -0.9303 -0.9303 -0.9013 -0.9013 -0.6249 -0.6249 -0.6144 -0.6144 -0.5173 -0.5173 -0.3415 -0.3415 -0.3216 -0.3216 5.0618 5.0618 5.0818 5.0818 5.1466 5.1466 7.6639 7.6639 7.6894 7.6894 10.1871 10.1871 10.2371 10.2371 k = 0.3333 0.5774 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6434 -21.6434 -21.6434 -21.6434 -20.1410 -20.1410 -19.9161 -19.9161 -19.9161 -19.9161 -19.5423 -19.5423 -19.5144 -19.5144 -19.5070 -19.5070 -10.3639 -10.3639 -10.3381 -10.3381 -10.3277 -10.3277 -10.2782 -10.2782 -8.0210 -8.0210 -8.0210 -8.0210 -2.8929 -2.8929 -2.8831 -2.8831 -2.4967 -2.4967 -2.4714 -2.4714 -2.3684 -2.3684 -1.9895 -1.9895 -1.8235 -1.8235 -1.8232 -1.8232 -1.6714 -1.6714 -1.0205 -1.0205 -0.9979 -0.9979 -0.9260 -0.9260 -0.9074 -0.9074 -0.6236 -0.6236 -0.6158 -0.6158 -0.5173 -0.5173 -0.3404 -0.3404 -0.3229 -0.3229 5.0622 5.0622 5.0816 5.0816 5.1466 5.1466 7.6758 7.6758 7.6771 7.6771 10.2117 10.2117 10.2141 10.2141 k = 0.3333 0.5774 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6434 -21.6434 -21.6434 -21.6434 -20.1410 -20.1410 -19.9161 -19.9161 -19.9161 -19.9161 -19.5423 -19.5423 -19.5144 -19.5144 -19.5070 -19.5070 -10.3639 -10.3639 -10.3381 -10.3381 -10.3277 -10.3277 -10.2782 -10.2782 -8.0210 -8.0210 -8.0210 -8.0210 -2.8929 -2.8929 -2.8831 -2.8831 -2.4967 -2.4967 -2.4714 -2.4714 -2.3684 -2.3684 -1.9895 -1.9895 -1.8235 -1.8235 -1.8232 -1.8232 -1.6714 -1.6714 -1.0205 -1.0205 -0.9979 -0.9979 -0.9260 -0.9260 -0.9074 -0.9074 -0.6236 -0.6236 -0.6158 -0.6158 -0.5173 -0.5173 -0.3404 -0.3404 -0.3229 -0.3229 5.0622 5.0622 5.0816 5.0816 5.1466 5.1466 7.6758 7.6758 7.6771 7.6771 10.2117 10.2117 10.2141 10.2141 k = 0.3241 0.5613 0.6190 ( 12162 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6442 -21.6442 -21.6426 -21.6426 -20.1411 -20.1411 -19.9169 -19.9169 -19.9153 -19.9153 -19.5424 -19.5424 -19.5146 -19.5146 -19.5068 -19.5068 -10.3640 -10.3640 -10.3383 -10.3383 -10.3275 -10.3275 -10.2783 -10.2783 -8.0212 -8.0212 -8.0207 -8.0207 -2.8955 -2.8955 -2.8802 -2.8802 -2.4986 -2.4986 -2.4701 -2.4701 -2.3683 -2.3683 -1.9895 -1.9895 -1.8297 -1.8297 -1.8173 -1.8173 -1.6715 -1.6715 -1.0220 -1.0220 -0.9978 -0.9978 -0.9292 -0.9292 -0.9023 -0.9023 -0.6248 -0.6248 -0.6144 -0.6144 -0.5173 -0.5173 -0.3414 -0.3414 -0.3217 -0.3217 5.0619 5.0619 5.0818 5.0818 5.1466 5.1466 7.6643 7.6643 7.6890 7.6890 10.1846 10.1846 10.2397 10.2397 k = 0.3148 0.5453 0.6190 ( 12142 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6450 -21.6450 -21.6419 -21.6419 -20.1412 -20.1412 -19.9177 -19.9177 -19.9144 -19.9144 -19.5425 -19.5425 -19.5150 -19.5150 -19.5062 -19.5062 -10.3642 -10.3642 -10.3388 -10.3388 -10.3267 -10.3267 -10.2785 -10.2785 -8.0215 -8.0215 -8.0204 -8.0204 -2.8997 -2.8997 -2.8749 -2.8749 -2.5029 -2.5029 -2.4674 -2.4674 -2.3679 -2.3679 -1.9896 -1.9896 -1.8358 -1.8358 -1.8121 -1.8121 -1.6717 -1.6717 -1.0264 -1.0264 -0.9974 -0.9974 -0.9331 -0.9331 -0.8927 -0.8927 -0.6272 -0.6272 -0.6115 -0.6115 -0.5172 -0.5172 -0.3438 -0.3438 -0.3189 -0.3189 5.0610 5.0610 5.0823 5.0823 5.1465 5.1465 7.6531 7.6531 7.7014 7.7014 10.1526 10.1526 10.2675 10.2675 k = 0.3056 0.5292 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6459 -21.6459 -21.6411 -21.6411 -20.1414 -20.1414 -19.9183 -19.9183 -19.9135 -19.9135 -19.5427 -19.5427 -19.5155 -19.5155 -19.5053 -19.5053 -10.3646 -10.3646 -10.3396 -10.3396 -10.3256 -10.3256 -10.2789 -10.2789 -8.0217 -8.0217 -8.0202 -8.0202 -2.9038 -2.9038 -2.8690 -2.8690 -2.5083 -2.5083 -2.4648 -2.4648 -2.3673 -2.3673 -1.9900 -1.9900 -1.8416 -1.8416 -1.8076 -1.8076 -1.6722 -1.6722 -1.0331 -1.0331 -0.9969 -0.9969 -0.9344 -0.9344 -0.8820 -0.8820 -0.6298 -0.6298 -0.6082 -0.6082 -0.5168 -0.5168 -0.3464 -0.3464 -0.3153 -0.3153 5.0597 5.0597 5.0828 5.0828 5.1464 5.1464 7.6428 7.6428 7.7137 7.7137 10.1173 10.1173 10.2961 10.2961 k = 0.2963 0.5132 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6467 -21.6467 -21.6403 -21.6403 -20.1417 -20.1417 -19.9189 -19.9189 -19.9126 -19.9126 -19.5429 -19.5429 -19.5160 -19.5160 -19.5043 -19.5043 -10.3650 -10.3650 -10.3406 -10.3406 -10.3243 -10.3243 -10.2795 -10.2795 -8.0219 -8.0219 -8.0200 -8.0200 -2.9072 -2.9072 -2.8629 -2.8629 -2.5140 -2.5140 -2.4631 -2.4631 -2.3666 -2.3666 -1.9906 -1.9906 -1.8469 -1.8469 -1.8040 -1.8040 -1.6729 -1.6729 -1.0408 -1.0408 -0.9967 -0.9967 -0.9332 -0.9332 -0.8710 -0.8710 -0.6322 -0.6322 -0.6049 -0.6049 -0.5162 -0.5162 -0.3489 -0.3489 -0.3115 -0.3115 5.0581 5.0581 5.0834 5.0834 5.1461 5.1461 7.6338 7.6338 7.7258 7.7258 10.0792 10.0792 10.3256 10.3256 k = 0.2870 0.4972 0.6190 ( 12142 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6477 -21.6477 -21.6396 -21.6396 -20.1421 -20.1421 -19.9193 -19.9193 -19.9117 -19.9117 -19.5431 -19.5431 -19.5166 -19.5166 -19.5033 -19.5033 -10.3655 -10.3655 -10.3416 -10.3416 -10.3229 -10.3229 -10.2803 -10.2803 -8.0221 -8.0221 -8.0199 -8.0199 -2.9099 -2.9099 -2.8567 -2.8567 -2.5198 -2.5198 -2.4623 -2.4623 -2.3660 -2.3660 -1.9915 -1.9915 -1.8519 -1.8519 -1.8011 -1.8011 -1.6739 -1.6739 -1.0485 -1.0485 -0.9971 -0.9971 -0.9300 -0.9300 -0.8598 -0.8598 -0.6344 -0.6344 -0.6017 -0.6017 -0.5152 -0.5152 -0.3510 -0.3510 -0.3077 -0.3077 5.0565 5.0565 5.0837 5.0837 5.1457 5.1457 7.6259 7.6259 7.7375 7.7375 10.0388 10.0388 10.3558 10.3558 k = 0.2778 0.4811 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6486 -21.6486 -21.6389 -21.6389 -20.1426 -20.1426 -19.9197 -19.9197 -19.9108 -19.9108 -19.5433 -19.5433 -19.5170 -19.5170 -19.5022 -19.5022 -10.3661 -10.3661 -10.3427 -10.3427 -10.3215 -10.3215 -10.2812 -10.2812 -8.0222 -8.0222 -8.0197 -8.0197 -2.9119 -2.9119 -2.8506 -2.8506 -2.5254 -2.5254 -2.4625 -2.4625 -2.3657 -2.3657 -1.9930 -1.9930 -1.8563 -1.8563 -1.7991 -1.7991 -1.6753 -1.6753 -1.0552 -1.0552 -0.9981 -0.9981 -0.9254 -0.9254 -0.8486 -0.8486 -0.6364 -0.6364 -0.5989 -0.5989 -0.5136 -0.5136 -0.3526 -0.3526 -0.3038 -0.3038 5.0548 5.0548 5.0838 5.0838 5.1451 5.1451 7.6194 7.6194 7.7488 7.7488 9.9967 9.9967 10.3866 10.3866 k = 0.2685 0.4651 0.6190 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6496 -21.6496 -21.6382 -21.6382 -20.1432 -20.1432 -19.9199 -19.9199 -19.9100 -19.9100 -19.5434 -19.5434 -19.5174 -19.5174 -19.5011 -19.5011 -10.3667 -10.3667 -10.3439 -10.3439 -10.3200 -10.3200 -10.2823 -10.2823 -8.0223 -8.0223 -8.0196 -8.0196 -2.9131 -2.9131 -2.8444 -2.8444 -2.5309 -2.5309 -2.4637 -2.4637 -2.3658 -2.3658 -1.9949 -1.9949 -1.8602 -1.8602 -1.7977 -1.7977 -1.6772 -1.6772 -1.0605 -1.0605 -0.9997 -0.9997 -0.9196 -0.9196 -0.8375 -0.8375 -0.6380 -0.6380 -0.5965 -0.5965 -0.5113 -0.5113 -0.3535 -0.3535 -0.3001 -0.3001 5.0531 5.0531 5.0838 5.0838 5.1443 5.1443 7.6142 7.6142 7.7598 7.7598 9.9532 9.9532 10.4177 10.4177 k = 0.2593 0.4491 0.6190 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6505 -21.6505 -21.6375 -21.6375 -20.1439 -20.1439 -19.9200 -19.9200 -19.9092 -19.9092 -19.5436 -19.5436 -19.5177 -19.5177 -19.5000 -19.5000 -10.3674 -10.3674 -10.3450 -10.3450 -10.3187 -10.3187 -10.2835 -10.2835 -8.0224 -8.0224 -8.0196 -8.0196 -2.9134 -2.9134 -2.8383 -2.8383 -2.5362 -2.5362 -2.4657 -2.4657 -2.3667 -2.3667 -1.9974 -1.9974 -1.8636 -1.8636 -1.7970 -1.7970 -1.6796 -1.6796 -1.0640 -1.0640 -1.0019 -1.0019 -0.9130 -0.9130 -0.8266 -0.8266 -0.6394 -0.6394 -0.5947 -0.5947 -0.5082 -0.5082 -0.3539 -0.3539 -0.2964 -0.2964 5.0515 5.0515 5.0834 5.0834 5.1433 5.1433 7.6105 7.6105 7.7702 7.7702 9.9088 9.9088 10.4483 10.4483 k = 0.2500 0.4330 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6515 -21.6515 -21.6368 -21.6368 -20.1446 -20.1446 -19.9200 -19.9200 -19.9084 -19.9084 -19.5437 -19.5437 -19.5179 -19.5179 -19.4990 -19.4990 -10.3680 -10.3680 -10.3461 -10.3461 -10.3174 -10.3174 -10.2848 -10.2848 -8.0225 -8.0225 -8.0195 -8.0195 -2.9129 -2.9129 -2.8323 -2.8323 -2.5412 -2.5412 -2.4684 -2.4684 -2.3683 -2.3683 -2.0006 -2.0006 -1.8663 -1.8663 -1.7969 -1.7969 -1.6826 -1.6826 -1.0653 -1.0653 -1.0047 -1.0047 -0.9058 -0.9058 -0.8158 -0.8158 -0.6404 -0.6404 -0.5935 -0.5935 -0.5043 -0.5043 -0.3536 -0.3536 -0.2929 -0.2929 5.0500 5.0500 5.0829 5.0829 5.1420 5.1420 7.6083 7.6083 7.7801 7.7801 9.8637 9.8637 10.4720 10.4720 k = 0.2407 0.4170 0.6190 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6525 -21.6525 -21.6362 -21.6362 -20.1455 -20.1455 -19.9199 -19.9199 -19.9077 -19.9077 -19.5438 -19.5438 -19.5180 -19.5180 -19.4980 -19.4980 -10.3687 -10.3687 -10.3473 -10.3473 -10.3163 -10.3163 -10.2863 -10.2863 -8.0225 -8.0225 -8.0195 -8.0195 -2.9116 -2.9116 -2.8265 -2.8265 -2.5459 -2.5459 -2.4717 -2.4717 -2.3709 -2.3709 -2.0044 -2.0044 -1.8684 -1.8684 -1.7974 -1.7974 -1.6862 -1.6862 -1.0646 -1.0646 -1.0079 -1.0079 -0.8981 -0.8981 -0.8053 -0.8053 -0.6412 -0.6412 -0.5929 -0.5929 -0.4995 -0.4995 -0.3527 -0.3527 -0.2896 -0.2896 5.0485 5.0485 5.0821 5.0821 5.1404 5.1404 7.6076 7.6076 7.7895 7.7895 9.8184 9.8184 10.4482 10.4482 k = 0.2315 0.4009 0.6190 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6536 -21.6536 -21.6356 -21.6356 -20.1464 -20.1464 -19.9197 -19.9197 -19.9070 -19.9070 -19.5438 -19.5438 -19.5179 -19.5179 -19.4971 -19.4971 -10.3693 -10.3693 -10.3484 -10.3484 -10.3152 -10.3152 -10.2879 -10.2879 -8.0225 -8.0225 -8.0196 -8.0196 -2.9094 -2.9094 -2.8208 -2.8208 -2.5503 -2.5503 -2.4754 -2.4754 -2.3745 -2.3745 -2.0087 -2.0087 -1.8699 -1.8699 -1.7983 -1.7983 -1.6904 -1.6904 -1.0618 -1.0618 -1.0114 -1.0114 -0.8900 -0.8900 -0.7951 -0.7951 -0.6416 -0.6416 -0.5929 -0.5929 -0.4939 -0.4939 -0.3512 -0.3512 -0.2864 -0.2864 5.0472 5.0472 5.0811 5.0811 5.1385 5.1385 7.6085 7.6085 7.7982 7.7982 9.7731 9.7731 10.3927 10.3927 k = 0.2222 0.3849 0.6190 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6546 -21.6546 -21.6351 -21.6351 -20.1474 -20.1474 -19.9194 -19.9194 -19.9063 -19.9063 -19.5438 -19.5438 -19.5177 -19.5177 -19.4963 -19.4963 -10.3699 -10.3699 -10.3495 -10.3495 -10.3144 -10.3144 -10.2895 -10.2895 -8.0225 -8.0225 -8.0196 -8.0196 -2.9065 -2.9065 -2.8152 -2.8152 -2.5544 -2.5544 -2.4796 -2.4796 -2.3791 -2.3791 -2.0136 -2.0136 -1.8708 -1.8708 -1.7997 -1.7997 -1.6953 -1.6953 -1.0573 -1.0573 -1.0150 -1.0150 -0.8816 -0.8816 -0.7852 -0.7852 -0.6417 -0.6417 -0.5934 -0.5934 -0.4875 -0.4875 -0.3491 -0.3491 -0.2833 -0.2833 5.0460 5.0460 5.0799 5.0799 5.1363 5.1363 7.6109 7.6109 7.8064 7.8064 9.7280 9.7280 10.3338 10.3338 k = 0.2130 0.3689 0.6190 ( 12130 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6556 -21.6556 -21.6345 -21.6345 -20.1484 -20.1484 -19.9190 -19.9190 -19.9058 -19.9058 -19.5437 -19.5437 -19.5174 -19.5174 -19.4955 -19.4955 -10.3705 -10.3705 -10.3506 -10.3506 -10.3137 -10.3137 -10.2913 -10.2913 -8.0224 -8.0224 -8.0197 -8.0197 -2.9027 -2.9027 -2.8099 -2.8099 -2.5580 -2.5580 -2.4840 -2.4840 -2.3848 -2.3848 -2.0190 -2.0190 -1.8712 -1.8712 -1.8014 -1.8014 -1.7008 -1.7008 -1.0519 -1.0519 -1.0178 -1.0178 -0.8730 -0.8730 -0.7757 -0.7757 -0.6416 -0.6416 -0.5943 -0.5943 -0.4806 -0.4806 -0.3465 -0.3465 -0.2805 -0.2805 5.0449 5.0449 5.0785 5.0785 5.1338 5.1338 7.6148 7.6148 7.8139 7.8139 9.6834 9.6834 10.2747 10.2747 k = 0.2037 0.3528 0.6190 ( 12130 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6566 -21.6566 -21.6341 -21.6341 -20.1495 -20.1495 -19.9185 -19.9185 -19.9053 -19.9053 -19.5436 -19.5436 -19.5169 -19.5169 -19.4948 -19.4948 -10.3710 -10.3710 -10.3517 -10.3517 -10.3131 -10.3131 -10.2931 -10.2931 -8.0223 -8.0223 -8.0199 -8.0199 -2.8982 -2.8982 -2.8048 -2.8048 -2.5614 -2.5614 -2.4887 -2.4887 -2.3915 -2.3915 -2.0248 -2.0248 -1.8710 -1.8710 -1.8035 -1.8035 -1.7070 -1.7070 -1.0475 -1.0475 -1.0182 -1.0182 -0.8641 -0.8641 -0.7664 -0.7664 -0.6412 -0.6412 -0.5954 -0.5954 -0.4732 -0.4732 -0.3433 -0.3433 -0.2778 -0.2778 5.0439 5.0439 5.0770 5.0770 5.1310 5.1310 7.6201 7.6201 7.8208 7.8208 9.6395 9.6395 10.2160 10.2160 k = 0.1944 0.3368 0.6190 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6577 -21.6577 -21.6336 -21.6336 -20.1507 -20.1507 -19.9179 -19.9179 -19.9048 -19.9048 -19.5436 -19.5436 -19.5163 -19.5163 -19.4942 -19.4942 -10.3715 -10.3715 -10.3528 -10.3528 -10.3128 -10.3128 -10.2949 -10.2949 -8.0222 -8.0222 -8.0200 -8.0200 -2.8929 -2.8929 -2.7999 -2.7999 -2.5644 -2.5644 -2.4936 -2.4936 -2.3991 -2.3991 -2.0308 -2.0308 -1.8703 -1.8703 -1.8059 -1.8059 -1.7138 -1.7138 -1.0467 -1.0467 -1.0136 -1.0136 -0.8550 -0.8550 -0.7576 -0.7576 -0.6405 -0.6405 -0.5968 -0.5968 -0.4655 -0.4655 -0.3398 -0.3398 -0.2753 -0.2753 5.0430 5.0430 5.0753 5.0753 5.1280 5.1280 7.6270 7.6270 7.8270 7.8270 9.5964 9.5964 10.1580 10.1580 k = 0.1852 0.3208 0.6190 ( 12146 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6587 -21.6587 -21.6332 -21.6332 -20.1519 -20.1519 -19.9172 -19.9172 -19.9044 -19.9044 -19.5435 -19.5435 -19.5156 -19.5156 -19.4936 -19.4936 -10.3720 -10.3720 -10.3539 -10.3539 -10.3126 -10.3126 -10.2967 -10.2967 -8.0221 -8.0221 -8.0202 -8.0202 -2.8870 -2.8870 -2.7953 -2.7953 -2.5670 -2.5670 -2.4986 -2.4986 -2.4076 -2.4076 -2.0370 -2.0370 -1.8691 -1.8691 -1.8086 -1.8086 -1.7212 -1.7212 -1.0498 -1.0498 -1.0042 -1.0042 -0.8457 -0.8457 -0.7491 -0.7491 -0.6396 -0.6396 -0.5983 -0.5983 -0.4576 -0.4576 -0.3358 -0.3358 -0.2729 -0.2729 5.0423 5.0423 5.0736 5.0736 5.1246 5.1246 7.6352 7.6352 7.8326 7.8326 9.5543 9.5543 10.1010 10.1010 k = 0.1759 0.3047 0.6190 ( 12162 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6597 -21.6597 -21.6328 -21.6328 -20.1531 -20.1531 -19.9164 -19.9164 -19.9041 -19.9041 -19.5434 -19.5434 -19.5148 -19.5148 -19.4931 -19.4931 -10.3724 -10.3724 -10.3550 -10.3550 -10.3126 -10.3126 -10.2986 -10.2986 -8.0219 -8.0219 -8.0204 -8.0204 -2.8805 -2.8805 -2.7909 -2.7909 -2.5693 -2.5693 -2.5036 -2.5036 -2.4169 -2.4169 -2.0432 -2.0432 -1.8675 -1.8675 -1.8116 -1.8116 -1.7290 -1.7290 -1.0550 -1.0550 -0.9919 -0.9919 -0.8361 -0.8361 -0.7409 -0.7409 -0.6385 -0.6385 -0.5999 -0.5999 -0.4496 -0.4496 -0.3315 -0.3315 -0.2708 -0.2708 5.0416 5.0416 5.0717 5.0717 5.1211 5.1211 7.6447 7.6447 7.8376 7.8376 9.5134 9.5134 10.0450 10.0450 k = 0.1667 0.2887 0.6190 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6606 -21.6606 -21.6325 -21.6325 -20.1543 -20.1543 -19.9156 -19.9156 -19.9038 -19.9038 -19.5434 -19.5434 -19.5139 -19.5139 -19.4926 -19.4926 -10.3727 -10.3727 -10.3560 -10.3560 -10.3128 -10.3128 -10.3004 -10.3004 -8.0217 -8.0217 -8.0206 -8.0206 -2.8734 -2.8734 -2.7868 -2.7868 -2.5713 -2.5713 -2.5086 -2.5086 -2.4267 -2.4267 -2.0494 -2.0494 -1.8655 -1.8655 -1.8147 -1.8147 -1.7372 -1.7372 -1.0612 -1.0612 -0.9780 -0.9780 -0.8263 -0.8263 -0.7332 -0.7332 -0.6371 -0.6371 -0.6014 -0.6014 -0.4416 -0.4416 -0.3269 -0.3269 -0.2688 -0.2688 5.0410 5.0410 5.0697 5.0697 5.1173 5.1173 7.6554 7.6554 7.8420 7.8420 9.4738 9.4738 9.9902 9.9902 k = 0.1574 0.2726 0.6190 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6616 -21.6616 -21.6322 -21.6322 -20.1555 -20.1555 -19.9147 -19.9147 -19.9035 -19.9035 -19.5433 -19.5433 -19.5129 -19.5129 -19.4921 -19.4921 -10.3731 -10.3731 -10.3570 -10.3570 -10.3132 -10.3132 -10.3021 -10.3021 -8.0216 -8.0216 -8.0208 -8.0208 -2.8658 -2.8658 -2.7830 -2.7830 -2.5730 -2.5730 -2.5136 -2.5136 -2.4370 -2.4370 -2.0555 -2.0555 -1.8631 -1.8631 -1.8182 -1.8182 -1.7457 -1.7457 -1.0680 -1.0680 -0.9633 -0.9633 -0.8162 -0.8162 -0.7258 -0.7258 -0.6356 -0.6356 -0.6029 -0.6029 -0.4336 -0.4336 -0.3221 -0.3221 -0.2669 -0.2669 5.0406 5.0406 5.0677 5.0677 5.1134 5.1134 7.6673 7.6673 7.8459 7.8459 9.4356 9.4356 9.9368 9.9368 k = 0.1481 0.2566 0.6190 ( 12146 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6625 -21.6625 -21.6319 -21.6319 -20.1568 -20.1568 -19.9137 -19.9137 -19.9033 -19.9033 -19.5433 -19.5433 -19.5118 -19.5118 -19.4917 -19.4917 -10.3733 -10.3733 -10.3580 -10.3580 -10.3138 -10.3138 -10.3037 -10.3037 -8.0214 -8.0214 -8.0211 -8.0211 -2.8577 -2.8577 -2.7795 -2.7795 -2.5743 -2.5743 -2.5186 -2.5186 -2.4477 -2.4477 -2.0614 -2.0614 -1.8605 -1.8605 -1.8219 -1.8219 -1.7544 -1.7544 -1.0751 -1.0751 -0.9483 -0.9483 -0.8058 -0.8058 -0.7188 -0.7188 -0.6340 -0.6340 -0.6043 -0.6043 -0.4259 -0.4259 -0.3171 -0.3171 -0.2652 -0.2652 5.0401 5.0401 5.0656 5.0656 5.1094 5.1094 7.6801 7.6801 7.8492 7.8492 9.3990 9.3990 9.8849 9.8849 k = 0.1389 0.2406 0.6190 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6634 -21.6634 -21.6316 -21.6316 -20.1580 -20.1580 -19.9128 -19.9128 -19.9031 -19.9031 -19.5434 -19.5434 -19.5107 -19.5107 -19.4912 -19.4912 -10.3735 -10.3735 -10.3590 -10.3590 -10.3145 -10.3145 -10.3053 -10.3053 -8.0214 -8.0214 -8.0211 -8.0211 -2.8494 -2.8494 -2.7762 -2.7762 -2.5755 -2.5755 -2.5233 -2.5233 -2.4585 -2.4585 -2.0670 -2.0670 -1.8577 -1.8577 -1.8259 -1.8259 -1.7630 -1.7630 -1.0824 -1.0824 -0.9334 -0.9334 -0.7951 -0.7951 -0.7123 -0.7123 -0.6322 -0.6322 -0.6057 -0.6057 -0.4184 -0.4184 -0.3120 -0.3120 -0.2637 -0.2637 5.0398 5.0398 5.0635 5.0635 5.1054 5.1054 7.6938 7.6938 7.8519 7.8519 9.3641 9.3641 9.8346 9.8346 k = 0.1296 0.2245 0.6190 ( 12140 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6642 -21.6642 -21.6314 -21.6314 -20.1592 -20.1592 -19.9118 -19.9118 -19.9030 -19.9030 -19.5435 -19.5435 -19.5096 -19.5096 -19.4908 -19.4908 -10.3737 -10.3737 -10.3599 -10.3599 -10.3154 -10.3154 -10.3067 -10.3067 -8.0216 -8.0216 -8.0209 -8.0209 -2.8408 -2.8408 -2.7732 -2.7732 -2.5764 -2.5764 -2.5280 -2.5280 -2.4694 -2.4694 -2.0724 -2.0724 -1.8547 -1.8547 -1.8303 -1.8303 -1.7715 -1.7715 -1.0897 -1.0897 -0.9190 -0.9190 -0.7841 -0.7841 -0.7061 -0.7061 -0.6304 -0.6304 -0.6069 -0.6069 -0.4112 -0.4112 -0.3069 -0.3069 -0.2622 -0.2622 5.0395 5.0395 5.0613 5.0613 5.1014 5.1014 7.7082 7.7082 7.8543 7.8543 9.3310 9.3310 9.7862 9.7862 k = 0.1204 0.2085 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6651 -21.6651 -21.6312 -21.6312 -20.1604 -20.1604 -19.9108 -19.9108 -19.9029 -19.9029 -19.5436 -19.5436 -19.5085 -19.5085 -19.4903 -19.4903 -10.3739 -10.3739 -10.3608 -10.3608 -10.3165 -10.3165 -10.3080 -10.3080 -8.0219 -8.0219 -8.0207 -8.0207 -2.8321 -2.8321 -2.7705 -2.7705 -2.5770 -2.5770 -2.5324 -2.5324 -2.4801 -2.4801 -2.0774 -2.0774 -1.8516 -1.8516 -1.8350 -1.8350 -1.7796 -1.7796 -1.0970 -1.0970 -0.9053 -0.9053 -0.7728 -0.7728 -0.7003 -0.7003 -0.6284 -0.6284 -0.6080 -0.6080 -0.4043 -0.4043 -0.3019 -0.3019 -0.2609 -0.2609 5.0392 5.0392 5.0590 5.0590 5.0975 5.0975 7.7231 7.7231 7.8562 7.8562 9.2997 9.2997 9.7397 9.7397 k = 0.1111 0.1925 0.6190 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6658 -21.6658 -21.6311 -21.6311 -20.1616 -20.1616 -19.9098 -19.9098 -19.9028 -19.9028 -19.5437 -19.5437 -19.5075 -19.5075 -19.4899 -19.4899 -10.3740 -10.3740 -10.3616 -10.3616 -10.3176 -10.3176 -10.3092 -10.3092 -8.0222 -8.0222 -8.0205 -8.0205 -2.8233 -2.8233 -2.7680 -2.7680 -2.5776 -2.5776 -2.5365 -2.5365 -2.4906 -2.4906 -2.0822 -2.0822 -1.8485 -1.8485 -1.8402 -1.8402 -1.7872 -1.7872 -1.1041 -1.1041 -0.8925 -0.8925 -0.7614 -0.7614 -0.6949 -0.6949 -0.6265 -0.6265 -0.6090 -0.6090 -0.3979 -0.3979 -0.2970 -0.2970 -0.2597 -0.2597 5.0389 5.0389 5.0567 5.0567 5.0937 5.0937 7.7383 7.7383 7.8577 7.8577 9.2704 9.2704 9.6954 9.6954 k = 0.1019 0.1764 0.6190 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6666 -21.6666 -21.6309 -21.6309 -20.1626 -20.1626 -19.9088 -19.9088 -19.9028 -19.9028 -19.5439 -19.5439 -19.5064 -19.5064 -19.4894 -19.4894 -10.3741 -10.3741 -10.3624 -10.3624 -10.3188 -10.3188 -10.3103 -10.3103 -8.0224 -8.0224 -8.0202 -8.0202 -2.8147 -2.8147 -2.7658 -2.7658 -2.5780 -2.5780 -2.5404 -2.5404 -2.5006 -2.5006 -2.0865 -2.0865 -1.8470 -1.8470 -1.8442 -1.8442 -1.7940 -1.7940 -1.1110 -1.1110 -0.8807 -0.8807 -0.7498 -0.7498 -0.6900 -0.6900 -0.6245 -0.6245 -0.6098 -0.6098 -0.3918 -0.3918 -0.2923 -0.2923 -0.2585 -0.2585 5.0387 5.0387 5.0544 5.0544 5.0902 5.0902 7.7536 7.7536 7.8589 7.8589 9.2432 9.2432 9.6535 9.6535 k = 0.0926 0.1604 0.6190 ( 12114 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6672 -21.6672 -21.6308 -21.6308 -20.1637 -20.1637 -19.9079 -19.9079 -19.9027 -19.9027 -19.5440 -19.5440 -19.5055 -19.5055 -19.4889 -19.4889 -10.3742 -10.3742 -10.3631 -10.3631 -10.3200 -10.3200 -10.3113 -10.3113 -8.0227 -8.0227 -8.0200 -8.0200 -2.8062 -2.8062 -2.7639 -2.7639 -2.5783 -2.5783 -2.5440 -2.5440 -2.5101 -2.5101 -2.0905 -2.0905 -1.8523 -1.8523 -1.8419 -1.8419 -1.8001 -1.8001 -1.1176 -1.1176 -0.8702 -0.8702 -0.7384 -0.7384 -0.6854 -0.6854 -0.6225 -0.6225 -0.6104 -0.6104 -0.3862 -0.3862 -0.2879 -0.2879 -0.2574 -0.2574 5.0385 5.0385 5.0521 5.0521 5.0870 5.0870 7.7688 7.7688 7.8598 7.8598 9.2181 9.2181 9.6141 9.6141 k = 0.0833 0.1443 0.6190 ( 12118 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6679 -21.6679 -21.6307 -21.6307 -20.1646 -20.1646 -19.9070 -19.9070 -19.9027 -19.9027 -19.5442 -19.5442 -19.5046 -19.5046 -19.4884 -19.4884 -10.3744 -10.3744 -10.3636 -10.3636 -10.3212 -10.3212 -10.3122 -10.3122 -8.0229 -8.0229 -8.0198 -8.0198 -2.7980 -2.7980 -2.7622 -2.7622 -2.5787 -2.5787 -2.5473 -2.5473 -2.5189 -2.5189 -2.0941 -2.0941 -1.8586 -1.8586 -1.8390 -1.8390 -1.8053 -1.8053 -1.1238 -1.1238 -0.8608 -0.8608 -0.7274 -0.7274 -0.6812 -0.6812 -0.6206 -0.6206 -0.6109 -0.6109 -0.3811 -0.3811 -0.2839 -0.2839 -0.2563 -0.2563 5.0382 5.0382 5.0497 5.0497 5.0840 5.0840 7.7837 7.7837 7.8605 7.8605 9.1951 9.1951 9.5774 9.5774 k = 0.0741 0.1283 0.6190 ( 12118 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6684 -21.6684 -21.6306 -21.6306 -20.1655 -20.1655 -19.9062 -19.9062 -19.9027 -19.9027 -19.5444 -19.5444 -19.5039 -19.5039 -19.4879 -19.4879 -10.3745 -10.3745 -10.3641 -10.3641 -10.3223 -10.3223 -10.3131 -10.3131 -8.0231 -8.0231 -8.0196 -8.0196 -2.7903 -2.7903 -2.7607 -2.7607 -2.5790 -2.5790 -2.5502 -2.5502 -2.5269 -2.5269 -2.0973 -2.0973 -1.8650 -1.8650 -1.8363 -1.8363 -1.8098 -1.8098 -1.1295 -1.1295 -0.8526 -0.8526 -0.7169 -0.7169 -0.6774 -0.6774 -0.6188 -0.6188 -0.6111 -0.6111 -0.3765 -0.3765 -0.2803 -0.2803 -0.2552 -0.2552 5.0380 5.0380 5.0474 5.0474 5.0815 5.0815 7.7980 7.7980 7.8609 7.8609 9.1745 9.1745 9.5438 9.5438 k = 0.0648 0.1123 0.6190 ( 12106 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6689 -21.6689 -21.6306 -21.6306 -20.1663 -20.1663 -19.9054 -19.9054 -19.9027 -19.9027 -19.5447 -19.5447 -19.5032 -19.5032 -19.4874 -19.4874 -10.3746 -10.3746 -10.3645 -10.3645 -10.3233 -10.3233 -10.3139 -10.3139 -8.0233 -8.0233 -8.0194 -8.0194 -2.7832 -2.7832 -2.7594 -2.7594 -2.5794 -2.5794 -2.5527 -2.5527 -2.5340 -2.5340 -2.1001 -2.1001 -1.8713 -1.8713 -1.8337 -1.8337 -1.8135 -1.8135 -1.1348 -1.1348 -0.8455 -0.8455 -0.7073 -0.7073 -0.6739 -0.6739 -0.6172 -0.6172 -0.6112 -0.6112 -0.3723 -0.3723 -0.2771 -0.2771 -0.2541 -0.2541 5.0378 5.0378 5.0452 5.0452 5.0793 5.0793 7.8114 7.8114 7.8612 7.8612 9.1561 9.1561 9.5133 9.5133 k = 0.0556 0.0962 0.6190 ( 12108 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6694 -21.6694 -21.6305 -21.6305 -20.1670 -20.1670 -19.9047 -19.9047 -19.9027 -19.9027 -19.5448 -19.5448 -19.5026 -19.5026 -19.4870 -19.4870 -10.3748 -10.3748 -10.3647 -10.3647 -10.3243 -10.3243 -10.3146 -10.3146 -8.0235 -8.0235 -8.0193 -8.0193 -2.7768 -2.7768 -2.7582 -2.7582 -2.5800 -2.5800 -2.5549 -2.5549 -2.5402 -2.5402 -2.1026 -2.1026 -1.8773 -1.8773 -1.8314 -1.8314 -1.8165 -1.8165 -1.1395 -1.1395 -0.8395 -0.8395 -0.6988 -0.6988 -0.6708 -0.6708 -0.6160 -0.6160 -0.6108 -0.6108 -0.3687 -0.3687 -0.2745 -0.2745 -0.2530 -0.2530 5.0375 5.0375 5.0432 5.0432 5.0774 5.0774 7.8237 7.8237 7.8614 7.8614 9.1401 9.1401 9.4863 9.4863 k = 0.0463 0.0802 0.6190 ( 12078 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6697 -21.6697 -21.6305 -21.6305 -20.1676 -20.1676 -19.9041 -19.9041 -19.9027 -19.9027 -19.5450 -19.5450 -19.5021 -19.5021 -19.4865 -19.4865 -10.3750 -10.3750 -10.3649 -10.3649 -10.3251 -10.3251 -10.3152 -10.3152 -8.0237 -8.0237 -8.0191 -8.0191 -2.7713 -2.7713 -2.7571 -2.7571 -2.5806 -2.5806 -2.5566 -2.5566 -2.5454 -2.5454 -2.1047 -2.1047 -1.8828 -1.8828 -1.8294 -1.8294 -1.8190 -1.8190 -1.1435 -1.1435 -0.8345 -0.8345 -0.6916 -0.6916 -0.6680 -0.6680 -0.6151 -0.6151 -0.6101 -0.6101 -0.3657 -0.3657 -0.2723 -0.2723 -0.2519 -0.2519 5.0373 5.0373 5.0413 5.0413 5.0759 5.0759 7.8346 7.8346 7.8615 7.8615 9.1265 9.1265 9.4630 9.4630 k = 0.0370 0.0642 0.6190 ( 12094 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6701 -21.6701 -21.6304 -21.6304 -20.1681 -20.1681 -19.9036 -19.9036 -19.9027 -19.9027 -19.5452 -19.5452 -19.5018 -19.5018 -19.4862 -19.4862 -10.3752 -10.3752 -10.3650 -10.3650 -10.3258 -10.3258 -10.3157 -10.3157 -8.0238 -8.0238 -8.0190 -8.0190 -2.7668 -2.7668 -2.7561 -2.7561 -2.5813 -2.5813 -2.5580 -2.5580 -2.5494 -2.5494 -2.1064 -2.1064 -1.8875 -1.8875 -1.8277 -1.8277 -1.8210 -1.8210 -1.1469 -1.1469 -0.8305 -0.8305 -0.6858 -0.6858 -0.6655 -0.6655 -0.6146 -0.6146 -0.6092 -0.6092 -0.3632 -0.3632 -0.2707 -0.2707 -0.2509 -0.2509 5.0371 5.0371 5.0397 5.0397 5.0747 5.0747 7.8439 7.8439 7.8615 7.8615 9.1153 9.1153 9.4436 9.4436 k = 0.0278 0.0481 0.6190 ( 12094 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6703 -21.6703 -21.6304 -21.6304 -20.1685 -20.1685 -19.9032 -19.9032 -19.9027 -19.9027 -19.5453 -19.5453 -19.5015 -19.5015 -19.4858 -19.4858 -10.3753 -10.3753 -10.3651 -10.3651 -10.3263 -10.3263 -10.3161 -10.3161 -8.0239 -8.0239 -8.0189 -8.0189 -2.7635 -2.7635 -2.7551 -2.7551 -2.5821 -2.5821 -2.5591 -2.5591 -2.5525 -2.5525 -2.1077 -2.1077 -1.8913 -1.8913 -1.8264 -1.8264 -1.8224 -1.8224 -1.1495 -1.1495 -0.8274 -0.8274 -0.6814 -0.6814 -0.6633 -0.6633 -0.6144 -0.6144 -0.6082 -0.6082 -0.3612 -0.3612 -0.2695 -0.2695 -0.2500 -0.2500 5.0370 5.0370 5.0384 5.0384 5.0738 5.0738 7.8514 7.8514 7.8615 7.8615 9.1065 9.1065 9.4283 9.4283 k = 0.0185 0.0321 0.6190 ( 12086 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6705 -21.6705 -21.6304 -21.6304 -20.1688 -20.1688 -19.9029 -19.9029 -19.9027 -19.9027 -19.5454 -19.5454 -19.5013 -19.5013 -19.4856 -19.4856 -10.3754 -10.3754 -10.3651 -10.3651 -10.3268 -10.3268 -10.3164 -10.3164 -8.0240 -8.0240 -8.0189 -8.0189 -2.7614 -2.7614 -2.7540 -2.7540 -2.5827 -2.5827 -2.5599 -2.5599 -2.5545 -2.5545 -2.1086 -2.1086 -1.8941 -1.8941 -1.8256 -1.8256 -1.8232 -1.8232 -1.1515 -1.1515 -0.8252 -0.8252 -0.6785 -0.6785 -0.6616 -0.6616 -0.6142 -0.6142 -0.6074 -0.6074 -0.3598 -0.3598 -0.2687 -0.2687 -0.2493 -0.2493 5.0368 5.0368 5.0374 5.0374 5.0732 5.0732 7.8569 7.8569 7.8615 7.8615 9.1003 9.1003 9.4172 9.4172 k = 0.0093 0.0160 0.6190 ( 12078 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6706 -21.6706 -21.6304 -21.6304 -20.1690 -20.1690 -19.9027 -19.9027 -19.9027 -19.9027 -19.5455 -19.5455 -19.5012 -19.5012 -19.4855 -19.4855 -10.3755 -10.3755 -10.3652 -10.3652 -10.3270 -10.3270 -10.3166 -10.3166 -8.0240 -8.0240 -8.0188 -8.0188 -2.7603 -2.7603 -2.7532 -2.7532 -2.5831 -2.5831 -2.5605 -2.5605 -2.5557 -2.5557 -2.1092 -2.1092 -1.8958 -1.8958 -1.8253 -1.8253 -1.8236 -1.8236 -1.1526 -1.1526 -0.8239 -0.8239 -0.6768 -0.6768 -0.6605 -0.6605 -0.6141 -0.6141 -0.6068 -0.6068 -0.3589 -0.3589 -0.2682 -0.2682 -0.2489 -0.2489 5.0367 5.0367 5.0369 5.0369 5.0728 5.0728 7.8602 7.8602 7.8616 7.8616 9.0965 9.0965 9.4105 9.4105 k = 0.0000 0.0000 0.6190 ( 12086 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3962 -31.3962 -31.3788 -31.3788 -21.6706 -21.6706 -21.6304 -21.6304 -20.1691 -20.1691 -19.9027 -19.9027 -19.9027 -19.9027 -19.5455 -19.5455 -19.5011 -19.5011 -19.4854 -19.4854 -10.3755 -10.3755 -10.3652 -10.3652 -10.3271 -10.3271 -10.3167 -10.3167 -8.0240 -8.0240 -8.0188 -8.0188 -2.7599 -2.7599 -2.7529 -2.7529 -2.5833 -2.5833 -2.5606 -2.5606 -2.5560 -2.5560 -2.1094 -2.1094 -1.8964 -1.8964 -1.8253 -1.8253 -1.8236 -1.8236 -1.1530 -1.1530 -0.8235 -0.8235 -0.6762 -0.6762 -0.6601 -0.6601 -0.6141 -0.6141 -0.6066 -0.6066 -0.3587 -0.3587 -0.2681 -0.2681 -0.2487 -0.2487 5.0365 5.0365 5.0368 5.0368 5.0727 5.0727 7.8610 7.8610 7.8618 7.8618 9.0953 9.0953 9.4082 9.4082 k = 0.5000 0.2887 0.6190 ( 12140 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6521 -21.6521 -21.6363 -21.6363 -20.1453 -20.1453 -19.9238 -19.9238 -19.9024 -19.9024 -19.5523 -19.5523 -19.5170 -19.5170 -19.4928 -19.4928 -10.3775 -10.3775 -10.3399 -10.3399 -10.3002 -10.3002 -10.2988 -10.2988 -8.0250 -8.0250 -8.0170 -8.0170 -2.9501 -2.9501 -2.7819 -2.7819 -2.6054 -2.6054 -2.4001 -2.4001 -2.3589 -2.3589 -1.9855 -1.9855 -1.9468 -1.9468 -1.7422 -1.7422 -1.6765 -1.6765 -1.0722 -1.0722 -1.0479 -1.0479 -0.9901 -0.9901 -0.7003 -0.7003 -0.6476 -0.6476 -0.5615 -0.5615 -0.5184 -0.5184 -0.3952 -0.3952 -0.2633 -0.2633 5.0244 5.0244 5.1019 5.1019 5.1468 5.1468 7.5310 7.5310 7.8652 7.8652 9.9554 9.9554 10.2533 10.2533 k = 0.5000 0.2887 0.6002 ( 12146 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3788 -31.3788 -21.6521 -21.6521 -21.6363 -21.6363 -20.1455 -20.1455 -19.9238 -19.9238 -19.9023 -19.9023 -19.5522 -19.5522 -19.5170 -19.5170 -19.4928 -19.4928 -10.3775 -10.3775 -10.3399 -10.3399 -10.3001 -10.3001 -10.2988 -10.2988 -8.0251 -8.0251 -8.0169 -8.0169 -2.9498 -2.9498 -2.7817 -2.7817 -2.6055 -2.6055 -2.4000 -2.4000 -2.3593 -2.3593 -1.9886 -1.9886 -1.9459 -1.9459 -1.7419 -1.7419 -1.6744 -1.6744 -1.0724 -1.0724 -1.0480 -1.0480 -0.9889 -0.9889 -0.7005 -0.7005 -0.6489 -0.6489 -0.5628 -0.5628 -0.5179 -0.5179 -0.3947 -0.3947 -0.2630 -0.2630 5.0245 5.0245 5.1020 5.1020 5.1467 5.1467 7.5308 7.5308 7.8654 7.8654 9.9474 9.9474 10.2428 10.2428 k = 0.5000 0.2887 0.5814 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3787 -31.3787 -21.6522 -21.6522 -21.6363 -21.6363 -20.1460 -20.1460 -19.9236 -19.9236 -19.9021 -19.9021 -19.5520 -19.5520 -19.5167 -19.5167 -19.4930 -19.4930 -10.3774 -10.3774 -10.3398 -10.3398 -10.3001 -10.3001 -10.2987 -10.2987 -8.0252 -8.0252 -8.0165 -8.0165 -2.9490 -2.9490 -2.7811 -2.7811 -2.6060 -2.6060 -2.3998 -2.3998 -2.3605 -2.3605 -1.9972 -1.9972 -1.9433 -1.9433 -1.7409 -1.7409 -1.6685 -1.6685 -1.0729 -1.0729 -1.0484 -1.0484 -0.9854 -0.9854 -0.7011 -0.7011 -0.6527 -0.6527 -0.5668 -0.5668 -0.5164 -0.5164 -0.3934 -0.3934 -0.2621 -0.2621 5.0247 5.0247 5.1022 5.1022 5.1463 5.1463 7.5303 7.5303 7.8659 7.8659 9.9242 9.9242 10.2134 10.2134 k = 0.5000 0.2887 0.5627 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3963 -31.3963 -31.3787 -31.3787 -21.6524 -21.6524 -21.6364 -21.6364 -20.1470 -20.1470 -19.9232 -19.9232 -19.9017 -19.9017 -19.5517 -19.5517 -19.5162 -19.5162 -19.4933 -19.4933 -10.3774 -10.3774 -10.3398 -10.3398 -10.3001 -10.3001 -10.2986 -10.2986 -8.0253 -8.0253 -8.0159 -8.0159 -2.9477 -2.9477 -2.7801 -2.7801 -2.6068 -2.6068 -2.3994 -2.3994 -2.3624 -2.3624 -2.0103 -2.0103 -1.9395 -1.9395 -1.7392 -1.7392 -1.6594 -1.6594 -1.0739 -1.0739 -1.0491 -1.0491 -0.9793 -0.9793 -0.7021 -0.7021 -0.6588 -0.6588 -0.5731 -0.5731 -0.5140 -0.5140 -0.3914 -0.3914 -0.2607 -0.2607 5.0251 5.0251 5.1026 5.1026 5.1458 5.1458 7.5295 7.5295 7.8667 7.8667 9.8884 9.8884 10.1705 10.1705 k = 0.5000 0.2887 0.5439 ( 12146 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6526 -21.6526 -21.6364 -21.6364 -20.1482 -20.1482 -19.9227 -19.9227 -19.9012 -19.9012 -19.5512 -19.5512 -19.5156 -19.5156 -19.4937 -19.4937 -10.3772 -10.3772 -10.3397 -10.3397 -10.3001 -10.3001 -10.2985 -10.2985 -8.0255 -8.0255 -8.0150 -8.0150 -2.9460 -2.9460 -2.7786 -2.7786 -2.6077 -2.6077 -2.3989 -2.3989 -2.3651 -2.3651 -2.0268 -2.0268 -1.9345 -1.9345 -1.7368 -1.7368 -1.6481 -1.6481 -1.0753 -1.0753 -1.0502 -1.0502 -0.9707 -0.9707 -0.7039 -0.7039 -0.6667 -0.6667 -0.5816 -0.5816 -0.5108 -0.5108 -0.3888 -0.3888 -0.2589 -0.2589 5.0256 5.0256 5.1032 5.1032 5.1451 5.1451 7.5284 7.5284 7.8679 7.8679 9.8427 9.8427 10.1191 10.1191 k = 0.5000 0.2887 0.5252 ( 12154 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6529 -21.6529 -21.6365 -21.6365 -20.1498 -20.1498 -19.9221 -19.9221 -19.9005 -19.9005 -19.5507 -19.5507 -19.5148 -19.5148 -19.4942 -19.4942 -10.3771 -10.3771 -10.3395 -10.3395 -10.3000 -10.3000 -10.2984 -10.2984 -8.0256 -8.0256 -8.0140 -8.0140 -2.9439 -2.9439 -2.7768 -2.7768 -2.6087 -2.6087 -2.3982 -2.3982 -2.3687 -2.3687 -2.0456 -2.0456 -1.9284 -1.9284 -1.7339 -1.7339 -1.6354 -1.6354 -1.0773 -1.0773 -1.0519 -1.0519 -0.9594 -0.9594 -0.7067 -0.7067 -0.6758 -0.6758 -0.5919 -0.5919 -0.5070 -0.5070 -0.3858 -0.3858 -0.2569 -0.2569 5.0263 5.0263 5.1039 5.1039 5.1442 5.1442 7.5270 7.5270 7.8694 7.8694 9.7897 9.7897 10.0630 10.0630 k = 0.5000 0.2887 0.5064 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6532 -21.6532 -21.6366 -21.6366 -20.1518 -20.1518 -19.9214 -19.9214 -19.8997 -19.8997 -19.5502 -19.5502 -19.5138 -19.5138 -19.4948 -19.4948 -10.3769 -10.3769 -10.3394 -10.3394 -10.2999 -10.2999 -10.2982 -10.2982 -8.0257 -8.0257 -8.0129 -8.0129 -2.9414 -2.9414 -2.7746 -2.7746 -2.6098 -2.6098 -2.3973 -2.3973 -2.3733 -2.3733 -2.0659 -2.0659 -1.9214 -1.9214 -1.7304 -1.7304 -1.6220 -1.6220 -1.0798 -1.0798 -1.0540 -1.0540 -0.9456 -0.9456 -0.7117 -0.7117 -0.6847 -0.6847 -0.6040 -0.6040 -0.5026 -0.5026 -0.3828 -0.3828 -0.2547 -0.2547 5.0270 5.0270 5.1048 5.1048 5.1431 5.1431 7.5253 7.5253 7.8712 7.8712 9.7315 9.7315 10.0046 10.0046 k = 0.5000 0.2887 0.4877 ( 12142 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6536 -21.6536 -21.6368 -21.6368 -20.1540 -20.1540 -19.9206 -19.9206 -19.8987 -19.8987 -19.5496 -19.5496 -19.5127 -19.5127 -19.4953 -19.4953 -10.3767 -10.3767 -10.3392 -10.3392 -10.2999 -10.2999 -10.2980 -10.2980 -8.0257 -8.0257 -8.0117 -8.0117 -2.9387 -2.9387 -2.7721 -2.7721 -2.6107 -2.6107 -2.3963 -2.3963 -2.3787 -2.3787 -2.0869 -2.0869 -1.9135 -1.9135 -1.7264 -1.7264 -1.6086 -1.6086 -1.0827 -1.0827 -1.0567 -1.0567 -0.9295 -0.9295 -0.7204 -0.7204 -0.6917 -0.6917 -0.6174 -0.6174 -0.4978 -0.4978 -0.3797 -0.3797 -0.2526 -0.2526 5.0279 5.0279 5.1056 5.1056 5.1420 5.1420 7.5235 7.5235 7.8733 7.8733 9.6699 9.6699 9.9456 9.9456 k = 0.5000 0.2887 0.4689 ( 12136 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3786 -31.3786 -21.6540 -21.6540 -21.6369 -21.6369 -20.1564 -20.1564 -19.9196 -19.9196 -19.8976 -19.8976 -19.5492 -19.5492 -19.5115 -19.5115 -19.4958 -19.4958 -10.3765 -10.3765 -10.3390 -10.3390 -10.2998 -10.2998 -10.2977 -10.2977 -8.0256 -8.0256 -8.0104 -8.0104 -2.9359 -2.9359 -2.7694 -2.7694 -2.6113 -2.6113 -2.3955 -2.3955 -2.3849 -2.3849 -2.1080 -2.1080 -1.9047 -1.9047 -1.7219 -1.7219 -1.5954 -1.5954 -1.0862 -1.0862 -1.0598 -1.0598 -0.9112 -0.9112 -0.7328 -0.7328 -0.6964 -0.6964 -0.6320 -0.6320 -0.4925 -0.4925 -0.3769 -0.3769 -0.2506 -0.2506 5.0289 5.0289 5.1066 5.1066 5.1408 5.1408 7.5214 7.5214 7.8756 7.8756 9.6059 9.6059 9.8869 9.8869 k = 0.5000 0.2887 0.4502 ( 12142 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3786 -31.3786 -21.6545 -21.6545 -21.6371 -21.6371 -20.1592 -20.1592 -19.9186 -19.9186 -19.8964 -19.8964 -19.5488 -19.5488 -19.5104 -19.5104 -19.4960 -19.4960 -10.3762 -10.3762 -10.3388 -10.3388 -10.2997 -10.2997 -10.2975 -10.2975 -8.0255 -8.0255 -8.0090 -8.0090 -2.9330 -2.9330 -2.7663 -2.7663 -2.6114 -2.6114 -2.3974 -2.3974 -2.3893 -2.3893 -2.1285 -2.1285 -1.8953 -1.8953 -1.7170 -1.7170 -1.5827 -1.5827 -1.0900 -1.0900 -1.0633 -1.0633 -0.8911 -0.8911 -0.7478 -0.7478 -0.7000 -0.7000 -0.6472 -0.6472 -0.4868 -0.4868 -0.3745 -0.3745 -0.2488 -0.2488 5.0299 5.0299 5.1074 5.1074 5.1396 5.1396 7.5193 7.5193 7.8782 7.8782 9.5406 9.5406 9.8292 9.8292 k = 0.5000 0.2887 0.4314 ( 12134 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3786 -31.3786 -21.6550 -21.6550 -21.6373 -21.6373 -20.1621 -20.1621 -19.9174 -19.9174 -19.8951 -19.8951 -19.5485 -19.5485 -19.5095 -19.5095 -19.4958 -19.4958 -10.3760 -10.3760 -10.3385 -10.3385 -10.2996 -10.2996 -10.2972 -10.2972 -8.0253 -8.0253 -8.0075 -8.0075 -2.9302 -2.9302 -2.7631 -2.7631 -2.6110 -2.6110 -2.4052 -2.4052 -2.3889 -2.3889 -2.1480 -2.1480 -1.8853 -1.8853 -1.7118 -1.7118 -1.5706 -1.5706 -1.0941 -1.0941 -1.0671 -1.0671 -0.8696 -0.8696 -0.7643 -0.7643 -0.7034 -0.7034 -0.6626 -0.6626 -0.4808 -0.4808 -0.3725 -0.3725 -0.2473 -0.2473 5.0310 5.0310 5.1082 5.1082 5.1385 5.1385 7.5170 7.5170 7.8810 7.8810 9.4746 9.4746 9.7728 9.7728 k = 0.5000 0.2887 0.4126 ( 12142 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3785 -31.3785 -21.6556 -21.6556 -21.6375 -21.6375 -20.1652 -20.1652 -19.9162 -19.9162 -19.8937 -19.8937 -19.5483 -19.5483 -19.5091 -19.5091 -19.4949 -19.4949 -10.3757 -10.3757 -10.3383 -10.3383 -10.2995 -10.2995 -10.2969 -10.2969 -8.0250 -8.0250 -8.0060 -8.0060 -2.9275 -2.9275 -2.7597 -2.7597 -2.6099 -2.6099 -2.4157 -2.4157 -2.3867 -2.3867 -2.1662 -2.1662 -1.8749 -1.8749 -1.7063 -1.7063 -1.5594 -1.5594 -1.0985 -1.0985 -1.0712 -1.0712 -0.8476 -0.8476 -0.7812 -0.7812 -0.7083 -0.7083 -0.6767 -0.6767 -0.4747 -0.4747 -0.3710 -0.3710 -0.2462 -0.2462 5.0321 5.0321 5.1088 5.1088 5.1376 5.1376 7.5148 7.5148 7.8840 7.8840 9.4087 9.4087 9.7181 9.7181 k = 0.5000 0.2887 0.3939 ( 12140 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3785 -31.3785 -21.6561 -21.6561 -21.6377 -21.6377 -20.1684 -20.1684 -19.9148 -19.9148 -19.8921 -19.8921 -19.5483 -19.5483 -19.5094 -19.5094 -19.4933 -19.4933 -10.3754 -10.3754 -10.3380 -10.3380 -10.2994 -10.2994 -10.2966 -10.2966 -8.0246 -8.0246 -8.0045 -8.0045 -2.9252 -2.9252 -2.7561 -2.7561 -2.6080 -2.6080 -2.4280 -2.4280 -2.3839 -2.3839 -2.1828 -2.1828 -1.8642 -1.8642 -1.7007 -1.7007 -1.5489 -1.5489 -1.1032 -1.1032 -1.0756 -1.0756 -0.8283 -0.8283 -0.7952 -0.7952 -0.7169 -0.7169 -0.6872 -0.6872 -0.4684 -0.4684 -0.3701 -0.3701 -0.2455 -0.2455 5.0332 5.0332 5.1091 5.1091 5.1369 5.1369 7.5125 7.5125 7.8872 7.8872 9.3432 9.3432 9.6653 9.6653 k = 0.5000 0.2887 0.3751 ( 12144 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3965 -31.3965 -31.3784 -31.3784 -21.6567 -21.6567 -21.6380 -21.6380 -20.1718 -20.1718 -19.9134 -19.9134 -19.8905 -19.8905 -19.5483 -19.5483 -19.5101 -19.5101 -19.4910 -19.4910 -10.3750 -10.3750 -10.3377 -10.3377 -10.2992 -10.2992 -10.2963 -10.2963 -8.0242 -8.0242 -8.0030 -8.0030 -2.9232 -2.9232 -2.7525 -2.7525 -2.6052 -2.6052 -2.4416 -2.4416 -2.3806 -2.3806 -2.1977 -2.1977 -1.8533 -1.8533 -1.6949 -1.6949 -1.5393 -1.5393 -1.1080 -1.1080 -1.0801 -1.0801 -0.8288 -0.8288 -0.7897 -0.7897 -0.7303 -0.7303 -0.6926 -0.6926 -0.4620 -0.4620 -0.3698 -0.3698 -0.2452 -0.2452 5.0343 5.0343 5.1091 5.1091 5.1367 5.1367 7.5103 7.5103 7.8905 7.8905 9.2787 9.2787 9.6144 9.6144 k = 0.5000 0.2887 0.3564 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3784 -31.3784 -21.6573 -21.6573 -21.6382 -21.6382 -20.1752 -20.1752 -19.9120 -19.9120 -19.8889 -19.8889 -19.5485 -19.5485 -19.5111 -19.5111 -19.4884 -19.4884 -10.3747 -10.3747 -10.3374 -10.3374 -10.2991 -10.2991 -10.2959 -10.2959 -8.0237 -8.0237 -8.0015 -8.0015 -2.9217 -2.9217 -2.7489 -2.7489 -2.6014 -2.6014 -2.4565 -2.4565 -2.3768 -2.3768 -2.2108 -2.2108 -1.8425 -1.8425 -1.6892 -1.6892 -1.5304 -1.5304 -1.1129 -1.1129 -1.0848 -1.0848 -0.8451 -0.8451 -0.7700 -0.7700 -0.7451 -0.7451 -0.6947 -0.6947 -0.4556 -0.4556 -0.3700 -0.3700 -0.2454 -0.2454 5.0353 5.0353 5.1086 5.1086 5.1368 5.1368 7.5083 7.5083 7.8940 7.8940 9.2153 9.2153 9.5657 9.5657 k = 0.5000 0.2887 0.3376 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3784 -31.3784 -21.6579 -21.6579 -21.6385 -21.6385 -20.1786 -20.1786 -19.9105 -19.9105 -19.8871 -19.8871 -19.5488 -19.5488 -19.5124 -19.5124 -19.4854 -19.4854 -10.3743 -10.3743 -10.3371 -10.3371 -10.2990 -10.2990 -10.2956 -10.2956 -8.0232 -8.0232 -7.9999 -7.9999 -2.9206 -2.9206 -2.7453 -2.7453 -2.5967 -2.5967 -2.4723 -2.4723 -2.3725 -2.3725 -2.2221 -2.2221 -1.8317 -1.8317 -1.6835 -1.6835 -1.5222 -1.5222 -1.1178 -1.1178 -1.0895 -1.0895 -0.8639 -0.8639 -0.7683 -0.7683 -0.7418 -0.7418 -0.6940 -0.6940 -0.4494 -0.4494 -0.3709 -0.3709 -0.2460 -0.2460 5.0362 5.0362 5.1078 5.1078 5.1374 5.1374 7.5064 7.5064 7.8975 7.8975 9.1535 9.1535 9.5191 9.5191 k = 0.5000 0.2887 0.3189 ( 12130 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3783 -31.3783 -21.6585 -21.6585 -21.6388 -21.6388 -20.1821 -20.1821 -19.9090 -19.9090 -19.8854 -19.8854 -19.5492 -19.5492 -19.5139 -19.5139 -19.4821 -19.4821 -10.3740 -10.3740 -10.3368 -10.3368 -10.2989 -10.2989 -10.2952 -10.2952 -8.0226 -8.0226 -7.9984 -7.9984 -2.9201 -2.9201 -2.7417 -2.7417 -2.5911 -2.5911 -2.4887 -2.4887 -2.3678 -2.3678 -2.2318 -2.2318 -1.8211 -1.8211 -1.6781 -1.6781 -1.5148 -1.5148 -1.1228 -1.1228 -1.0942 -1.0942 -0.8832 -0.8832 -0.7848 -0.7848 -0.7243 -0.7243 -0.6887 -0.6887 -0.4432 -0.4432 -0.3722 -0.3722 -0.2469 -0.2469 5.0371 5.0371 5.1068 5.1068 5.1383 5.1383 7.5048 7.5048 7.9010 7.9010 9.0934 9.0934 9.4747 9.4747 k = 0.5000 0.2887 0.3001 ( 12120 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3783 -31.3783 -21.6591 -21.6591 -21.6391 -21.6391 -20.1855 -20.1855 -19.9074 -19.9074 -19.8836 -19.8836 -19.5496 -19.5496 -19.5155 -19.5155 -19.4788 -19.4788 -10.3737 -10.3737 -10.3364 -10.3364 -10.2988 -10.2988 -10.2949 -10.2949 -8.0219 -8.0219 -7.9969 -7.9969 -2.9200 -2.9200 -2.7382 -2.7382 -2.5848 -2.5848 -2.5053 -2.5053 -2.3626 -2.3626 -2.2401 -2.2401 -1.8110 -1.8110 -1.6728 -1.6728 -1.5080 -1.5080 -1.1277 -1.1277 -1.0988 -1.0988 -0.9024 -0.9024 -0.8026 -0.8026 -0.7141 -0.7141 -0.6743 -0.6743 -0.4373 -0.4373 -0.3740 -0.3740 -0.2483 -0.2483 5.0377 5.0377 5.1055 5.1055 5.1395 5.1395 7.5033 7.5033 7.9046 7.9046 9.0354 9.0354 9.4326 9.4326 k = 0.5000 0.2887 0.2813 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3782 -31.3782 -21.6597 -21.6597 -21.6394 -21.6394 -20.1889 -20.1889 -19.9059 -19.9059 -19.8818 -19.8818 -19.5501 -19.5501 -19.5171 -19.5171 -19.4755 -19.4755 -10.3733 -10.3733 -10.3361 -10.3361 -10.2986 -10.2986 -10.2945 -10.2945 -8.0213 -8.0213 -7.9955 -7.9955 -2.9204 -2.9204 -2.7349 -2.7349 -2.5781 -2.5781 -2.5217 -2.5217 -2.3571 -2.3571 -2.2471 -2.2471 -1.8013 -1.8013 -1.6680 -1.6680 -1.5019 -1.5019 -1.1325 -1.1325 -1.1033 -1.1033 -0.9213 -0.9213 -0.8202 -0.8202 -0.7106 -0.7106 -0.6533 -0.6533 -0.4317 -0.4317 -0.3763 -0.3763 -0.2499 -0.2499 5.0382 5.0382 5.1041 5.1041 5.1409 5.1409 7.5022 7.5022 7.9082 7.9082 8.9796 8.9796 9.3929 9.3929 k = 0.5000 0.2887 0.2626 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3782 -31.3782 -21.6603 -21.6603 -21.6396 -21.6396 -20.1923 -20.1923 -19.9044 -19.9044 -19.8800 -19.8800 -19.5507 -19.5507 -19.5188 -19.5188 -19.4721 -19.4721 -10.3730 -10.3730 -10.3358 -10.3358 -10.2985 -10.2985 -10.2942 -10.2942 -8.0206 -8.0206 -7.9941 -7.9941 -2.9213 -2.9213 -2.7317 -2.7317 -2.5720 -2.5720 -2.5366 -2.5366 -2.3511 -2.3511 -2.2529 -2.2529 -1.7921 -1.7921 -1.6635 -1.6635 -1.4964 -1.4964 -1.1372 -1.1372 -1.1077 -1.1077 -0.9397 -0.9397 -0.8373 -0.8373 -0.7094 -0.7094 -0.6303 -0.6303 -0.4265 -0.4265 -0.3788 -0.3788 -0.2518 -0.2518 5.0386 5.0386 5.1026 5.1026 5.1425 5.1425 7.5014 7.5014 7.9117 7.9117 8.9263 8.9263 9.3555 9.3555 k = 0.5000 0.2887 0.2438 ( 12108 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3781 -31.3781 -21.6609 -21.6609 -21.6399 -21.6399 -20.1955 -20.1955 -19.9029 -19.9029 -19.8782 -19.8782 -19.5513 -19.5513 -19.5204 -19.5204 -19.4688 -19.4688 -10.3726 -10.3726 -10.3355 -10.3355 -10.2984 -10.2984 -10.2938 -10.2938 -8.0199 -8.0199 -7.9928 -7.9928 -2.9224 -2.9224 -2.7287 -2.7287 -2.5705 -2.5705 -2.5459 -2.5459 -2.3448 -2.3448 -2.2578 -2.2578 -1.7836 -1.7836 -1.6595 -1.6595 -1.4914 -1.4914 -1.1417 -1.1417 -1.1118 -1.1118 -0.9574 -0.9574 -0.8538 -0.8538 -0.7089 -0.7089 -0.6072 -0.6072 -0.4219 -0.4219 -0.3815 -0.3815 -0.2539 -0.2539 5.0387 5.0387 5.1012 5.1012 5.1441 5.1441 7.5009 7.5009 7.9151 7.9151 8.8756 8.8756 9.3205 9.3205 k = 0.5000 0.2887 0.2251 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3781 -31.3781 -21.6614 -21.6614 -21.6402 -21.6402 -20.1985 -20.1985 -19.9014 -19.9014 -19.8764 -19.8764 -19.5519 -19.5519 -19.5220 -19.5220 -19.4656 -19.4656 -10.3723 -10.3723 -10.3352 -10.3352 -10.2983 -10.2983 -10.2935 -10.2935 -8.0192 -8.0192 -7.9915 -7.9915 -2.9239 -2.9239 -2.7260 -2.7260 -2.5792 -2.5792 -2.5441 -2.5441 -2.3383 -2.3383 -2.2617 -2.2617 -1.7759 -1.7759 -1.6560 -1.6560 -1.4870 -1.4870 -1.1461 -1.1461 -1.1157 -1.1157 -0.9743 -0.9743 -0.8695 -0.8695 -0.7087 -0.7087 -0.5847 -0.5847 -0.4178 -0.4178 -0.3841 -0.3841 -0.2562 -0.2562 5.0387 5.0387 5.0999 5.0999 5.1458 5.1458 7.5007 7.5007 7.9184 7.9184 8.8277 8.8277 9.2879 9.2879 k = 0.5000 0.2887 0.2063 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3781 -31.3781 -21.6619 -21.6619 -21.6405 -21.6405 -20.2014 -20.2014 -19.9000 -19.9000 -19.8747 -19.8747 -19.5526 -19.5526 -19.5235 -19.5235 -19.4625 -19.4625 -10.3720 -10.3720 -10.3349 -10.3349 -10.2982 -10.2982 -10.2932 -10.2932 -8.0185 -8.0185 -7.9903 -7.9903 -2.9255 -2.9255 -2.7235 -2.7235 -2.5923 -2.5923 -2.5369 -2.5369 -2.3317 -2.3317 -2.2648 -2.2648 -1.7689 -1.7689 -1.6531 -1.6531 -1.4831 -1.4831 -1.1502 -1.1502 -1.1194 -1.1194 -0.9901 -0.9901 -0.8842 -0.8842 -0.7087 -0.7087 -0.5632 -0.5632 -0.4147 -0.4147 -0.3865 -0.3865 -0.2585 -0.2585 5.0385 5.0385 5.0988 5.0988 5.1475 5.1475 7.5008 7.5008 7.9215 7.9215 8.7828 8.7828 9.2578 9.2578 k = 0.5000 0.2887 0.1876 ( 12128 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3780 -31.3780 -21.6624 -21.6624 -21.6408 -21.6408 -20.2042 -20.2042 -19.8986 -19.8986 -19.8731 -19.8731 -19.5532 -19.5532 -19.5250 -19.5250 -19.4596 -19.4596 -10.3717 -10.3717 -10.3346 -10.3346 -10.2981 -10.2981 -10.2929 -10.2929 -8.0178 -8.0178 -7.9892 -7.9892 -2.9273 -2.9273 -2.7212 -2.7212 -2.6057 -2.6057 -2.5285 -2.5285 -2.3250 -2.3250 -2.2673 -2.2673 -1.7627 -1.7627 -1.6507 -1.6507 -1.4798 -1.4798 -1.1540 -1.1540 -1.1227 -1.1227 -1.0049 -1.0049 -0.8978 -0.8978 -0.7086 -0.7086 -0.5430 -0.5430 -0.4127 -0.4127 -0.3882 -0.3882 -0.2608 -0.2608 5.0381 5.0381 5.0977 5.0977 5.1491 5.1491 7.5012 7.5012 7.9245 7.9245 8.7410 8.7410 9.2302 9.2302 k = 0.5000 0.2887 0.1688 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3780 -31.3780 -21.6629 -21.6629 -21.6410 -21.6410 -20.2067 -20.2067 -19.8974 -19.8974 -19.8716 -19.8716 -19.5539 -19.5539 -19.5264 -19.5264 -19.4568 -19.4568 -10.3714 -10.3714 -10.3343 -10.3343 -10.2980 -10.2980 -10.2926 -10.2926 -8.0171 -8.0171 -7.9882 -7.9882 -2.9291 -2.9291 -2.7191 -2.7191 -2.6185 -2.6185 -2.5200 -2.5200 -2.3184 -2.3184 -2.2690 -2.2690 -1.7573 -1.7573 -1.6489 -1.6489 -1.4769 -1.4769 -1.1575 -1.1575 -1.1257 -1.1257 -1.0185 -1.0185 -0.9102 -0.9102 -0.7086 -0.7086 -0.5242 -0.5242 -0.4121 -0.4121 -0.3889 -0.3889 -0.2631 -0.2631 5.0376 5.0376 5.0969 5.0969 5.1506 5.1506 7.5018 7.5018 7.9273 7.9273 8.7026 8.7026 9.2051 9.2051 k = 0.5000 0.2887 0.1501 ( 12124 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3966 -31.3966 -31.3780 -31.3780 -21.6633 -21.6633 -21.6412 -21.6412 -20.2090 -20.2090 -19.8962 -19.8962 -19.8702 -19.8702 -19.5545 -19.5545 -19.5277 -19.5277 -19.4543 -19.4543 -10.3712 -10.3712 -10.3341 -10.3341 -10.2979 -10.2979 -10.2924 -10.2924 -8.0165 -8.0165 -7.9872 -7.9872 -2.9310 -2.9310 -2.7174 -2.7174 -2.6302 -2.6302 -2.5117 -2.5117 -2.3120 -2.3120 -2.2703 -2.2703 -1.7528 -1.7528 -1.6475 -1.6475 -1.4745 -1.4745 -1.1607 -1.1607 -1.1284 -1.1284 -1.0308 -1.0308 -0.9214 -0.9214 -0.7085 -0.7085 -0.5070 -0.5070 -0.4129 -0.4129 -0.3887 -0.3887 -0.2652 -0.2652 5.0370 5.0370 5.0961 5.0961 5.1520 5.1520 7.5027 7.5027 7.9299 7.9299 8.6676 8.6676 9.1826 9.1826 k = 0.5000 0.2887 0.1313 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3779 -31.3779 -21.6637 -21.6637 -21.6415 -21.6415 -20.2111 -20.2111 -19.8952 -19.8952 -19.8689 -19.8689 -19.5551 -19.5551 -19.5288 -19.5288 -19.4521 -19.4521 -10.3710 -10.3710 -10.3339 -10.3339 -10.2979 -10.2979 -10.2922 -10.2922 -8.0160 -8.0160 -7.9864 -7.9864 -2.9327 -2.9327 -2.7158 -2.7158 -2.6408 -2.6408 -2.5038 -2.5038 -2.3060 -2.3060 -2.2710 -2.2710 -1.7490 -1.7490 -1.6467 -1.6467 -1.4725 -1.4725 -1.1636 -1.1636 -1.1308 -1.1308 -1.0417 -1.0417 -0.9313 -0.9313 -0.7085 -0.7085 -0.4915 -0.4915 -0.4145 -0.4145 -0.3879 -0.3879 -0.2672 -0.2672 5.0363 5.0363 5.0956 5.0956 5.1533 5.1533 7.5036 7.5036 7.9322 7.9322 8.6363 8.6363 9.1627 9.1627 k = 0.5000 0.2887 0.1125 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3779 -31.3779 -21.6640 -21.6640 -21.6416 -21.6416 -20.2130 -20.2130 -19.8942 -19.8942 -19.8678 -19.8678 -19.5556 -19.5556 -19.5299 -19.5299 -19.4501 -19.4501 -10.3708 -10.3708 -10.3337 -10.3337 -10.2978 -10.2978 -10.2919 -10.2919 -8.0155 -8.0155 -7.9857 -7.9857 -2.9344 -2.9344 -2.7146 -2.7146 -2.6501 -2.6501 -2.4967 -2.4967 -2.3005 -2.3005 -2.2713 -2.2713 -1.7459 -1.7459 -1.6462 -1.6462 -1.4709 -1.4709 -1.1662 -1.1662 -1.1328 -1.1328 -1.0512 -1.0512 -0.9399 -0.9399 -0.7084 -0.7084 -0.4779 -0.4779 -0.4167 -0.4167 -0.3868 -0.3868 -0.2689 -0.2689 5.0356 5.0356 5.0951 5.0951 5.1545 5.1545 7.5047 7.5047 7.9343 7.9343 8.6088 8.6088 9.1453 9.1453 k = 0.5000 0.2887 0.0938 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3779 -31.3779 -21.6643 -21.6643 -21.6418 -21.6418 -20.2145 -20.2145 -19.8934 -19.8934 -19.8668 -19.8668 -19.5561 -19.5561 -19.5307 -19.5307 -19.4483 -19.4483 -10.3706 -10.3706 -10.3335 -10.3335 -10.2977 -10.2977 -10.2918 -10.2918 -8.0150 -8.0150 -7.9850 -7.9850 -2.9358 -2.9358 -2.7136 -2.7136 -2.6580 -2.6580 -2.4905 -2.4905 -2.2956 -2.2956 -2.2712 -2.2712 -1.7435 -1.7435 -1.6460 -1.6460 -1.4697 -1.4697 -1.1683 -1.1683 -1.1344 -1.1344 -1.0593 -1.0593 -0.9471 -0.9471 -0.7084 -0.7084 -0.4661 -0.4661 -0.4189 -0.4189 -0.3856 -0.3856 -0.2705 -0.2705 5.0350 5.0350 5.0948 5.0948 5.1555 5.1555 7.5057 7.5057 7.9361 7.9361 8.5853 8.5853 9.1306 9.1306 k = 0.5000 0.2887 0.0750 ( 12112 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3779 -31.3779 -21.6645 -21.6645 -21.6419 -21.6419 -20.2158 -20.2158 -19.8927 -19.8927 -19.8659 -19.8659 -19.5565 -19.5565 -19.5315 -19.5315 -19.4469 -19.4469 -10.3705 -10.3705 -10.3333 -10.3333 -10.2977 -10.2977 -10.2916 -10.2916 -8.0147 -8.0147 -7.9845 -7.9845 -2.9371 -2.9371 -2.7128 -2.7128 -2.6645 -2.6645 -2.4852 -2.4852 -2.2915 -2.2915 -2.2709 -2.2709 -1.7416 -1.7416 -1.6460 -1.6460 -1.4687 -1.4687 -1.1701 -1.1701 -1.1358 -1.1358 -1.0659 -1.0659 -0.9531 -0.9531 -0.7083 -0.7083 -0.4564 -0.4564 -0.4209 -0.4209 -0.3846 -0.3846 -0.2717 -0.2717 5.0344 5.0344 5.0945 5.0945 5.1564 5.1564 7.5067 7.5067 7.9375 7.9375 8.5658 8.5658 9.1186 9.1186 k = 0.5000 0.2887 0.0563 ( 12114 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6647 -21.6647 -21.6420 -21.6420 -20.2169 -20.2169 -19.8922 -19.8922 -19.8653 -19.8653 -19.5569 -19.5569 -19.5321 -19.5321 -19.4458 -19.4458 -10.3703 -10.3703 -10.3332 -10.3332 -10.2977 -10.2977 -10.2915 -10.2915 -8.0144 -8.0144 -7.9841 -7.9841 -2.9381 -2.9381 -2.7122 -2.7122 -2.6696 -2.6696 -2.4811 -2.4811 -2.2883 -2.2883 -2.2705 -2.2705 -1.7403 -1.7403 -1.6462 -1.6462 -1.4680 -1.4680 -1.1715 -1.1715 -1.1368 -1.1368 -1.0710 -1.0710 -0.9576 -0.9576 -0.7083 -0.7083 -0.4488 -0.4488 -0.4227 -0.4227 -0.3838 -0.3838 -0.2727 -0.2727 5.0339 5.0339 5.0943 5.0943 5.1570 5.1570 7.5076 7.5076 7.9387 7.9387 8.5505 8.5505 9.1091 9.1091 k = 0.5000 0.2887 0.0375 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6648 -21.6648 -21.6421 -21.6421 -20.2176 -20.2176 -19.8918 -19.8918 -19.8648 -19.8648 -19.5571 -19.5571 -19.5325 -19.5325 -19.4450 -19.4450 -10.3703 -10.3703 -10.3331 -10.3331 -10.2976 -10.2976 -10.2914 -10.2914 -8.0142 -8.0142 -7.9838 -7.9838 -2.9388 -2.9388 -2.7119 -2.7119 -2.6732 -2.6732 -2.4781 -2.4781 -2.2860 -2.2860 -2.2700 -2.2700 -1.7394 -1.7394 -1.6463 -1.6463 -1.4676 -1.4676 -1.1725 -1.1725 -1.1375 -1.1375 -1.0746 -1.0746 -0.9609 -0.9609 -0.7082 -0.7082 -0.4433 -0.4433 -0.4241 -0.4241 -0.3833 -0.3833 -0.2734 -0.2734 5.0335 5.0335 5.0942 5.0942 5.1575 5.1575 7.5082 7.5082 7.9395 7.9395 8.5395 8.5395 9.1024 9.1024 k = 0.5000 0.2887 0.0188 ( 12096 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6649 -21.6649 -21.6422 -21.6422 -20.2180 -20.2180 -19.8916 -19.8916 -19.8645 -19.8645 -19.5573 -19.5573 -19.5327 -19.5327 -19.4445 -19.4445 -10.3702 -10.3702 -10.3331 -10.3331 -10.2976 -10.2976 -10.2914 -10.2914 -8.0140 -8.0140 -7.9836 -7.9836 -2.9393 -2.9393 -2.7117 -2.7117 -2.6753 -2.6753 -2.4762 -2.4762 -2.2847 -2.2847 -2.2696 -2.2696 -1.7389 -1.7389 -1.6465 -1.6465 -1.4673 -1.4673 -1.1731 -1.1731 -1.1380 -1.1380 -1.0768 -1.0768 -0.9629 -0.9629 -0.7082 -0.7082 -0.4399 -0.4399 -0.4249 -0.4249 -0.3829 -0.3829 -0.2738 -0.2738 5.0332 5.0332 5.0941 5.0941 5.1578 5.1578 7.5086 7.5086 7.9400 7.9400 8.5329 8.5329 9.0984 9.0984 k = 0.5000 0.2887-0.0000 ( 12104 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6649 -21.6649 -21.6422 -21.6422 -20.2182 -20.2182 -19.8915 -19.8915 -19.8644 -19.8644 -19.5573 -19.5573 -19.5328 -19.5328 -19.4443 -19.4443 -10.3702 -10.3702 -10.3331 -10.3331 -10.2976 -10.2976 -10.2914 -10.2914 -8.0140 -8.0140 -7.9836 -7.9836 -2.9394 -2.9394 -2.7116 -2.7116 -2.6761 -2.6761 -2.4756 -2.4756 -2.2842 -2.2842 -2.2695 -2.2695 -1.7387 -1.7387 -1.6465 -1.6465 -1.4672 -1.4672 -1.1733 -1.1733 -1.1381 -1.1381 -1.0775 -1.0775 -0.9635 -0.9635 -0.7082 -0.7082 -0.4388 -0.4388 -0.4252 -0.4252 -0.3828 -0.3828 -0.2740 -0.2740 5.0332 5.0332 5.0941 5.0941 5.1579 5.1579 7.5088 7.5088 7.9402 7.9402 8.5307 8.5307 9.0970 9.0970 k = 0.3333 0.5774-0.0000 ( 12054 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6520 -21.6520 -21.6519 -21.6519 -20.2217 -20.2217 -19.8800 -19.8800 -19.8800 -19.8800 -19.5559 -19.5559 -19.5339 -19.5339 -19.4419 -19.4419 -10.3609 -10.3609 -10.3301 -10.3301 -10.3197 -10.3197 -10.2734 -10.2734 -7.9987 -7.9987 -7.9986 -7.9986 -2.8392 -2.8392 -2.8366 -2.8366 -2.6798 -2.6798 -2.3631 -2.3631 -2.3541 -2.3541 -2.3149 -2.3149 -1.6653 -1.6653 -1.6613 -1.6613 -1.4393 -1.4393 -1.1463 -1.1463 -1.0438 -1.0438 -1.0252 -1.0252 -0.9902 -0.9902 -0.9535 -0.9535 -0.4439 -0.4439 -0.3829 -0.3829 -0.3533 -0.3533 -0.3527 -0.3527 5.0606 5.0606 5.1109 5.1109 5.1376 5.1376 7.6658 7.6658 7.6665 7.6665 9.0921 9.0921 9.0943 9.0943 k = 0.3333 0.5774 0.0188 ( 12072 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6520 -21.6520 -21.6519 -21.6519 -20.2215 -20.2215 -19.8801 -19.8801 -19.8801 -19.8801 -19.5558 -19.5558 -19.5338 -19.5338 -19.4421 -19.4421 -10.3609 -10.3609 -10.3301 -10.3301 -10.3197 -10.3197 -10.2734 -10.2734 -7.9987 -7.9987 -7.9987 -7.9987 -2.8392 -2.8392 -2.8366 -2.8366 -2.6790 -2.6790 -2.3638 -2.3638 -2.3547 -2.3547 -2.3148 -2.3148 -1.6653 -1.6653 -1.6614 -1.6614 -1.4395 -1.4395 -1.1460 -1.1460 -1.0430 -1.0430 -1.0246 -1.0246 -0.9900 -0.9900 -0.9534 -0.9534 -0.4449 -0.4449 -0.3829 -0.3829 -0.3534 -0.3534 -0.3524 -0.3524 5.0608 5.0608 5.1108 5.1108 5.1376 5.1376 7.6658 7.6658 7.6666 7.6666 9.0935 9.0935 9.0957 9.0957 k = 0.3333 0.5774 0.0375 ( 12084 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6520 -21.6520 -21.6518 -21.6518 -20.2210 -20.2210 -19.8804 -19.8804 -19.8803 -19.8803 -19.5557 -19.5557 -19.5336 -19.5336 -19.4426 -19.4426 -10.3609 -10.3609 -10.3302 -10.3302 -10.3198 -10.3198 -10.2734 -10.2734 -7.9989 -7.9989 -7.9988 -7.9988 -2.8391 -2.8391 -2.8366 -2.8366 -2.6766 -2.6766 -2.3658 -2.3658 -2.3566 -2.3566 -2.3144 -2.3144 -1.6655 -1.6655 -1.6617 -1.6617 -1.4401 -1.4401 -1.1453 -1.1453 -1.0408 -1.0408 -1.0228 -1.0228 -0.9895 -0.9895 -0.9531 -0.9531 -0.4479 -0.4479 -0.3830 -0.3830 -0.3534 -0.3534 -0.3516 -0.3516 5.0613 5.0613 5.1105 5.1105 5.1373 5.1373 7.6659 7.6659 7.6667 7.6667 9.0977 9.0977 9.0999 9.0999 k = 0.3333 0.5774 0.0563 ( 12090 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3778 -31.3778 -21.6519 -21.6519 -21.6517 -21.6517 -20.2202 -20.2202 -19.8808 -19.8808 -19.8808 -19.8808 -19.5553 -19.5553 -19.5333 -19.5333 -19.4434 -19.4434 -10.3609 -10.3609 -10.3303 -10.3303 -10.3199 -10.3199 -10.2735 -10.2735 -7.9991 -7.9991 -7.9991 -7.9991 -2.8390 -2.8390 -2.8366 -2.8366 -2.6726 -2.6726 -2.3691 -2.3691 -2.3596 -2.3596 -2.3136 -2.3136 -1.6659 -1.6659 -1.6622 -1.6622 -1.4412 -1.4412 -1.1442 -1.1442 -1.0372 -1.0372 -1.0198 -1.0198 -0.9885 -0.9885 -0.9526 -0.9526 -0.4530 -0.4530 -0.3832 -0.3832 -0.3534 -0.3534 -0.3503 -0.3503 5.0622 5.0622 5.1100 5.1100 5.1369 5.1369 7.6661 7.6661 7.6668 7.6668 9.1048 9.1048 9.1069 9.1069 k = 0.3333 0.5774 0.0750 ( 12090 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3779 -31.3779 -21.6517 -21.6517 -21.6516 -21.6516 -20.2191 -20.2191 -19.8814 -19.8814 -19.8814 -19.8814 -19.5549 -19.5549 -19.5328 -19.5328 -19.4446 -19.4446 -10.3610 -10.3610 -10.3304 -10.3304 -10.3200 -10.3200 -10.2736 -10.2736 -7.9995 -7.9995 -7.9995 -7.9995 -2.8388 -2.8388 -2.8366 -2.8366 -2.6671 -2.6671 -2.3736 -2.3736 -2.3638 -2.3638 -2.3126 -2.3126 -1.6666 -1.6666 -1.6631 -1.6631 -1.4427 -1.4427 -1.1425 -1.1425 -1.0322 -1.0322 -1.0159 -1.0159 -0.9870 -0.9870 -0.9519 -0.9519 -0.4600 -0.4600 -0.3838 -0.3838 -0.3532 -0.3532 -0.3484 -0.3484 5.0633 5.0633 5.1093 5.1093 5.1363 5.1363 7.6663 7.6663 7.6671 7.6671 9.1146 9.1146 9.1168 9.1168 k = 0.3333 0.5774 0.0938 ( 12084 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3779 -31.3779 -21.6516 -21.6516 -21.6514 -21.6514 -20.2176 -20.2176 -19.8822 -19.8822 -19.8821 -19.8821 -19.5544 -19.5544 -19.5322 -19.5322 -19.4461 -19.4461 -10.3610 -10.3610 -10.3306 -10.3306 -10.3202 -10.3202 -10.2737 -10.2737 -7.9999 -7.9999 -7.9999 -7.9999 -2.8386 -2.8386 -2.8367 -2.8367 -2.6601 -2.6601 -2.3792 -2.3792 -2.3690 -2.3690 -2.3113 -2.3113 -1.6676 -1.6676 -1.6644 -1.6644 -1.4447 -1.4447 -1.1405 -1.1405 -1.0257 -1.0257 -1.0111 -1.0111 -0.9847 -0.9847 -0.9508 -0.9508 -0.4691 -0.4691 -0.3848 -0.3848 -0.3527 -0.3527 -0.3462 -0.3462 5.0648 5.0648 5.1084 5.1084 5.1356 5.1356 7.6666 7.6666 7.6674 7.6674 9.1273 9.1273 9.1294 9.1294 k = 0.3333 0.5774 0.1125 ( 12102 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3779 -31.3779 -21.6514 -21.6514 -21.6512 -21.6512 -20.2159 -20.2159 -19.8831 -19.8831 -19.8830 -19.8830 -19.5537 -19.5537 -19.5315 -19.5315 -19.4479 -19.4479 -10.3611 -10.3611 -10.3308 -10.3308 -10.3204 -10.3204 -10.2738 -10.2738 -8.0005 -8.0005 -8.0004 -8.0004 -2.8384 -2.8384 -2.8368 -2.8368 -2.6516 -2.6516 -2.3857 -2.3857 -2.3750 -2.3750 -2.3096 -2.3096 -1.6690 -1.6690 -1.6661 -1.6661 -1.4471 -1.4471 -1.1379 -1.1379 -1.0179 -1.0179 -1.0059 -1.0059 -0.9812 -0.9812 -0.9495 -0.9495 -0.4801 -0.4801 -0.3864 -0.3864 -0.3516 -0.3516 -0.3435 -0.3435 5.0665 5.0665 5.1073 5.1073 5.1348 5.1348 7.6669 7.6669 7.6677 7.6677 9.1427 9.1427 9.1449 9.1449 k = 0.3333 0.5774 0.1313 ( 12120 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3779 -31.3779 -21.6511 -21.6511 -21.6510 -21.6510 -20.2139 -20.2139 -19.8842 -19.8842 -19.8841 -19.8841 -19.5530 -19.5530 -19.5307 -19.5307 -19.4500 -19.4500 -10.3612 -10.3612 -10.3310 -10.3310 -10.3206 -10.3206 -10.2739 -10.2739 -8.0011 -8.0011 -8.0011 -8.0011 -2.8383 -2.8383 -2.8370 -2.8370 -2.6417 -2.6417 -2.3930 -2.3930 -2.3818 -2.3818 -2.3074 -2.3074 -1.6710 -1.6710 -1.6684 -1.6684 -1.4500 -1.4500 -1.1350 -1.1350 -1.0089 -1.0089 -1.0009 -1.0009 -0.9760 -0.9760 -0.9477 -0.9477 -0.4931 -0.4931 -0.3888 -0.3888 -0.3500 -0.3500 -0.3405 -0.3405 5.0685 5.0685 5.1060 5.1060 5.1338 5.1338 7.6673 7.6673 7.6681 7.6681 9.1609 9.1609 9.1631 9.1631 k = 0.3333 0.5774 0.1501 ( 12126 PWs) bands (ev): -55.2152 -55.2152 -32.0245 -32.0245 -31.3967 -31.3967 -31.3780 -31.3780 -21.6508 -21.6508 -21.6507 -21.6507 -20.2116 -20.2116 -19.8853 -19.8853 -19.8853 -19.8853 -19.5521 -19.5521 -19.5298 -19.5298 -19.4524 -19.4524 -10.3613 -10.3613 -10.3312 -10.3312 -10.3208 -10.3208 -10.2741 -10.2741 -8.0018 -8.0018 -8.0018 -8.0018 -2.8382 -2.8382 -2.8373 -2.8373 -2.6304 -2.6304 -2.4008 -2.4008 -2.3891 -2.3891 -2.3049 -2.3049 -1.6735 -1.6735 -1.6713 -1.6713 -1.4532 -1.4532 -1.1316 -1.1316 -0.9989 -0.9989 -0.9965 -0.9965 -0.9686 -0.9686 -0.9455 -0.9455 -0.5079 -0.5079 -0.3918 -0.3918 -0.3478 -0.3478 -0.3373 -0.3373 5.0707 5.0707 5.1046 5.1046 5.1328 5.1328 7.6677 7.6677 7.6685 7.6685 9.1819 9.1819 9.1841 9.1841 k = 0.3333 0.5774 0.1688 ( 12132 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3780 -31.3780 -21.6506 -21.6506 -21.6504 -21.6504 -20.2091 -20.2091 -19.8866 -19.8866 -19.8866 -19.8866 -19.5512 -19.5512 -19.5288 -19.5288 -19.4550 -19.4550 -10.3614 -10.3614 -10.3315 -10.3315 -10.3211 -10.3211 -10.2742 -10.2742 -8.0026 -8.0026 -8.0026 -8.0026 -2.8382 -2.8382 -2.8378 -2.8378 -2.6178 -2.6178 -2.4091 -2.4091 -2.3968 -2.3968 -2.3019 -2.3019 -1.6767 -1.6767 -1.6749 -1.6749 -1.4570 -1.4570 -1.1279 -1.1279 -0.9929 -0.9929 -0.9880 -0.9880 -0.9589 -0.9589 -0.9424 -0.9424 -0.5244 -0.5244 -0.3955 -0.3955 -0.3453 -0.3453 -0.3339 -0.3339 5.0731 5.0731 5.1029 5.1029 5.1317 5.1317 7.6682 7.6682 7.6690 7.6690 9.2056 9.2056 9.2079 9.2079 k = 0.3333 0.5774 0.1876 ( 12132 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3780 -31.3780 -21.6502 -21.6502 -21.6501 -21.6501 -20.2063 -20.2063 -19.8881 -19.8881 -19.8880 -19.8880 -19.5502 -19.5502 -19.5278 -19.5278 -19.4579 -19.4579 -10.3615 -10.3615 -10.3318 -10.3318 -10.3214 -10.3214 -10.2744 -10.2744 -8.0034 -8.0034 -8.0034 -8.0034 -2.8385 -2.8385 -2.8384 -2.8384 -2.6041 -2.6041 -2.4177 -2.4177 -2.4047 -2.4047 -2.2985 -2.2985 -1.6807 -1.6807 -1.6792 -1.6792 -1.4611 -1.4611 -1.1237 -1.1237 -0.9898 -0.9898 -0.9771 -0.9771 -0.9473 -0.9473 -0.9380 -0.9380 -0.5425 -0.5425 -0.3999 -0.3999 -0.3425 -0.3425 -0.3304 -0.3304 5.0756 5.0756 5.1012 5.1012 5.1305 5.1305 7.6686 7.6686 7.6695 7.6695 9.2321 9.2321 9.2343 9.2343 k = 0.3333 0.5774 0.2063 ( 12135 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3781 -31.3781 -21.6499 -21.6499 -21.6498 -21.6498 -20.2032 -20.2032 -19.8896 -19.8896 -19.8895 -19.8895 -19.5492 -19.5492 -19.5267 -19.5267 -19.4611 -19.4611 -10.3616 -10.3616 -10.3321 -10.3321 -10.3217 -10.3217 -10.2746 -10.2746 -8.0043 -8.0043 -8.0043 -8.0043 -2.8395 -2.8395 -2.8387 -2.8387 -2.5893 -2.5893 -2.4262 -2.4262 -2.4126 -2.4126 -2.2944 -2.2944 -1.6853 -1.6853 -1.6842 -1.6842 -1.4658 -1.4658 -1.1193 -1.1193 -0.9869 -0.9869 -0.9669 -0.9669 -0.9341 -0.9341 -0.9315 -0.9315 -0.5622 -0.5622 -0.4047 -0.4047 -0.3395 -0.3395 -0.3269 -0.3269 5.0782 5.0782 5.0993 5.0993 5.1293 5.1293 7.6691 7.6691 7.6700 7.6700 9.2612 9.2612 9.2635 9.2635 k = 0.3333 0.5774 0.2251 ( 12153 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3781 -31.3781 -21.6495 -21.6495 -21.6494 -21.6494 -20.2000 -20.2000 -19.8911 -19.8911 -19.8911 -19.8911 -19.5482 -19.5482 -19.5255 -19.5255 -19.4644 -19.4644 -10.3617 -10.3617 -10.3325 -10.3325 -10.3221 -10.3221 -10.2748 -10.2748 -8.0053 -8.0053 -8.0053 -8.0053 -2.8407 -2.8407 -2.8393 -2.8393 -2.5737 -2.5737 -2.4347 -2.4347 -2.4203 -2.4203 -2.2898 -2.2898 -1.6907 -1.6907 -1.6899 -1.6899 -1.4709 -1.4709 -1.1144 -1.1144 -0.9842 -0.9842 -0.9585 -0.9585 -0.9219 -0.9219 -0.9195 -0.9195 -0.5833 -0.5833 -0.4100 -0.4100 -0.3365 -0.3365 -0.3235 -0.3235 5.0807 5.0807 5.0973 5.0973 5.1282 5.1282 7.6696 7.6696 7.6705 7.6705 9.2930 9.2930 9.2953 9.2953 k = 0.3333 0.5774 0.2438 ( 12120 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3781 -31.3781 -21.6491 -21.6491 -21.6491 -21.6491 -20.1966 -20.1966 -19.8928 -19.8928 -19.8927 -19.8927 -19.5471 -19.5471 -19.5242 -19.5242 -19.4678 -19.4678 -10.3619 -10.3619 -10.3328 -10.3328 -10.3224 -10.3224 -10.2750 -10.2750 -8.0063 -8.0063 -8.0062 -8.0062 -2.8421 -2.8421 -2.8402 -2.8402 -2.5573 -2.5573 -2.4430 -2.4430 -2.4277 -2.4277 -2.2843 -2.2843 -1.6968 -1.6968 -1.6962 -1.6962 -1.4765 -1.4765 -1.1093 -1.1093 -0.9815 -0.9815 -0.9523 -0.9523 -0.9091 -0.9091 -0.9037 -0.9037 -0.6055 -0.6055 -0.4157 -0.4157 -0.3335 -0.3335 -0.3202 -0.3202 5.0832 5.0832 5.0952 5.0952 5.1272 5.1272 7.6701 7.6701 7.6710 7.6710 9.3273 9.3273 9.3297 9.3297 k = 0.3333 0.5774 0.2626 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3782 -31.3782 -21.6488 -21.6488 -21.6487 -21.6487 -20.1931 -20.1931 -19.8944 -19.8944 -19.8944 -19.8944 -19.5460 -19.5460 -19.5230 -19.5230 -19.4714 -19.4714 -10.3620 -10.3620 -10.3332 -10.3332 -10.3228 -10.3228 -10.2753 -10.2753 -8.0073 -8.0073 -8.0073 -8.0073 -2.8439 -2.8439 -2.8413 -2.8413 -2.5404 -2.5404 -2.4509 -2.4509 -2.4348 -2.4348 -2.2781 -2.2781 -1.7035 -1.7035 -1.7032 -1.7032 -1.4826 -1.4826 -1.1040 -1.1040 -0.9789 -0.9789 -0.9475 -0.9475 -0.8939 -0.8939 -0.8870 -0.8870 -0.6289 -0.6289 -0.4217 -0.4217 -0.3307 -0.3307 -0.3171 -0.3171 5.0855 5.0855 5.0930 5.0930 5.1263 5.1263 7.6706 7.6706 7.6716 7.6716 9.3643 9.3643 9.3666 9.3666 k = 0.3333 0.5774 0.2813 ( 12147 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3966 -31.3966 -31.3782 -31.3782 -21.6484 -21.6484 -21.6483 -21.6483 -20.1895 -20.1895 -19.8962 -19.8962 -19.8961 -19.8961 -19.5449 -19.5449 -19.5217 -19.5217 -19.4751 -19.4751 -10.3621 -10.3621 -10.3335 -10.3335 -10.3232 -10.3232 -10.2755 -10.2755 -8.0083 -8.0083 -8.0083 -8.0083 -2.8460 -2.8460 -2.8427 -2.8427 -2.5232 -2.5232 -2.4582 -2.4582 -2.4412 -2.4412 -2.2708 -2.2708 -1.7108 -1.7108 -1.7106 -1.7106 -1.4892 -1.4892 -1.0984 -1.0984 -0.9762 -0.9762 -0.9436 -0.9436 -0.8770 -0.8770 -0.8695 -0.8695 -0.6531 -0.6531 -0.4280 -0.4280 -0.3281 -0.3281 -0.3143 -0.3143 5.0876 5.0876 5.0908 5.0908 5.1258 5.1258 7.6711 7.6711 7.6721 7.6721 9.4036 9.4036 9.4060 9.4060 k = 0.3333 0.5774 0.3001 ( 12150 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3783 -31.3783 -21.6479 -21.6479 -21.6479 -21.6479 -20.1857 -20.1857 -19.8979 -19.8979 -19.8978 -19.8978 -19.5439 -19.5439 -19.5204 -19.5204 -19.4789 -19.4789 -10.3623 -10.3623 -10.3339 -10.3339 -10.3235 -10.3235 -10.2757 -10.2757 -8.0094 -8.0094 -8.0094 -8.0094 -2.8484 -2.8484 -2.8444 -2.8444 -2.5061 -2.5061 -2.4650 -2.4650 -2.4471 -2.4471 -2.2624 -2.2624 -1.7186 -1.7186 -1.7186 -1.7186 -1.4964 -1.4964 -1.0926 -1.0926 -0.9735 -0.9735 -0.9402 -0.9402 -0.8590 -0.8590 -0.8514 -0.8514 -0.6779 -0.6779 -0.4345 -0.4345 -0.3259 -0.3259 -0.3119 -0.3119 5.0885 5.0885 5.0892 5.0892 5.1255 5.1255 7.6716 7.6716 7.6726 7.6726 9.4454 9.4454 9.4478 9.4478 k = 0.3333 0.5774 0.3189 ( 12174 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3783 -31.3783 -21.6475 -21.6475 -21.6475 -21.6475 -20.1819 -20.1819 -19.8996 -19.8996 -19.8995 -19.8995 -19.5429 -19.5429 -19.5192 -19.5192 -19.4827 -19.4827 -10.3624 -10.3624 -10.3343 -10.3343 -10.3239 -10.3239 -10.2759 -10.2759 -8.0105 -8.0105 -8.0104 -8.0104 -2.8511 -2.8511 -2.8465 -2.8465 -2.4893 -2.4893 -2.4711 -2.4711 -2.4522 -2.4522 -2.2526 -2.2526 -1.7269 -1.7269 -1.7267 -1.7267 -1.5041 -1.5041 -1.0867 -1.0867 -0.9709 -0.9709 -0.9370 -0.9370 -0.8404 -0.8404 -0.8328 -0.8328 -0.7032 -0.7032 -0.4412 -0.4412 -0.3240 -0.3240 -0.3099 -0.3099 5.0862 5.0862 5.0904 5.0904 5.1257 5.1257 7.6721 7.6721 7.6731 7.6731 9.4895 9.4895 9.4919 9.4919 k = 0.3333 0.5774 0.3376 ( 12168 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3784 -31.3784 -21.6471 -21.6471 -21.6471 -21.6471 -20.1781 -20.1781 -19.9013 -19.9013 -19.9012 -19.9012 -19.5420 -19.5420 -19.5179 -19.5179 -19.4864 -19.4864 -10.3626 -10.3626 -10.3347 -10.3347 -10.3243 -10.3243 -10.2762 -10.2762 -8.0115 -8.0115 -8.0115 -8.0115 -2.8541 -2.8541 -2.8488 -2.8488 -2.4765 -2.4765 -2.4736 -2.4736 -2.4561 -2.4561 -2.2412 -2.2412 -1.7354 -1.7354 -1.7352 -1.7352 -1.5125 -1.5125 -1.0806 -1.0806 -0.9683 -0.9683 -0.9339 -0.9339 -0.8214 -0.8214 -0.8140 -0.8140 -0.7288 -0.7288 -0.4481 -0.4481 -0.3226 -0.3226 -0.3083 -0.3083 5.0839 5.0839 5.0912 5.0912 5.1264 5.1264 7.6725 7.6725 7.6735 7.6735 9.5357 9.5357 9.5382 9.5382 k = 0.3333 0.5774 0.3564 ( 12153 PWs) bands (ev): -55.2152 -55.2152 -32.0246 -32.0246 -31.3965 -31.3965 -31.3784 -31.3784 -21.6467 -21.6467 -21.6467 -21.6467 -20.1742 -20.1742 -19.9029 -19.9029 -19.9029 -19.9029 -19.5411 -19.5411 -19.5167 -19.5167 -19.4901 -19.4901 -10.3627 -10.3627 -10.3351 -10.3351 -10.3247 -10.3247 -10.2764 -10.2764 -8.0125 -8.0125 -8.0125 -8.0125 -2.8573 -2.8573 -2.8514 -2.8514 -2.4812 -2.4812 -2.4638 -2.4638 -2.4543 -2.4543 -2.2282 -2.2282 -1.7441 -1.7441 -1.7438 -1.7438 -1.5215 -1.5215 -1.0746 -1.0746 -0.9659 -0.9659 -0.9310 -0.9310 -0.8022 -0.8022 -0.7951 -0.7951 -0.7541 -0.7541 -0.4549 -0.4549 -0.3216 -0.3216 -0.3071 -0.3071 5.0816 5.0816 5.0914 5.0914 5.1275 5.1275 7.6729 7.6729 7.6740 7.6740 9.5840 9.5840 9.5865 9.5865 k = 0.3333 0.5774 0.3751 ( 12141 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3965 -31.3965 -31.3784 -31.3784 -21.6463 -21.6463 -21.6463 -21.6463 -20.1704 -20.1704 -19.9046 -19.9046 -19.9045 -19.9045 -19.5404 -19.5404 -19.5155 -19.5155 -19.4936 -19.4936 -10.3629 -10.3629 -10.3354 -10.3354 -10.3250 -10.3250 -10.2766 -10.2766 -8.0135 -8.0135 -8.0135 -8.0135 -2.8607 -2.8607 -2.8542 -2.8542 -2.4851 -2.4851 -2.4652 -2.4652 -2.4419 -2.4419 -2.2133 -2.2133 -1.7528 -1.7528 -1.7525 -1.7525 -1.5311 -1.5311 -1.0685 -1.0685 -0.9636 -0.9636 -0.9282 -0.9282 -0.7830 -0.7830 -0.7823 -0.7823 -0.7731 -0.7731 -0.4618 -0.4618 -0.3212 -0.3212 -0.3065 -0.3065 5.0793 5.0793 5.0912 5.0912 5.1289 5.1289 7.6733 7.6733 7.6744 7.6744 9.6342 9.6342 9.6367 9.6367 k = 0.3333 0.5774 0.3939 ( 12147 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3965 -31.3965 -31.3785 -31.3785 -21.6459 -21.6459 -21.6459 -21.6459 -20.1667 -20.1667 -19.9061 -19.9061 -19.9060 -19.9060 -19.5398 -19.5398 -19.5143 -19.5143 -19.4970 -19.4970 -10.3630 -10.3630 -10.3358 -10.3358 -10.3254 -10.3254 -10.2768 -10.2768 -8.0145 -8.0145 -8.0145 -8.0145 -2.8643 -2.8643 -2.8572 -2.8572 -2.4884 -2.4884 -2.4674 -2.4674 -2.4293 -2.4293 -2.1966 -2.1966 -1.7615 -1.7615 -1.7612 -1.7612 -1.5415 -1.5415 -1.0625 -1.0625 -0.9616 -0.9616 -0.9254 -0.9254 -0.8047 -0.8047 -0.7640 -0.7640 -0.7565 -0.7565 -0.4685 -0.4685 -0.3212 -0.3212 -0.3064 -0.3064 5.0771 5.0771 5.0906 5.0906 5.1307 5.1307 7.6737 7.6737 7.6748 7.6748 9.6860 9.6860 9.6885 9.6885 k = 0.3333 0.5774 0.4126 ( 12159 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3785 -31.3785 -21.6456 -21.6456 -21.6455 -21.6455 -20.1631 -20.1631 -19.9076 -19.9076 -19.9075 -19.9075 -19.5394 -19.5394 -19.5133 -19.5133 -19.5002 -19.5002 -10.3631 -10.3631 -10.3361 -10.3361 -10.3257 -10.3257 -10.2770 -10.2770 -8.0155 -8.0155 -8.0155 -8.0155 -2.8679 -2.8679 -2.8603 -2.8603 -2.4910 -2.4910 -2.4692 -2.4692 -2.4180 -2.4180 -2.1781 -2.1781 -1.7699 -1.7699 -1.7697 -1.7697 -1.5525 -1.5525 -1.0566 -1.0566 -0.9600 -0.9600 -0.9228 -0.9228 -0.8282 -0.8282 -0.7454 -0.7454 -0.7382 -0.7382 -0.4751 -0.4751 -0.3218 -0.3218 -0.3067 -0.3067 5.0750 5.0750 5.0898 5.0898 5.1326 5.1326 7.6740 7.6740 7.6752 7.6752 9.7393 9.7393 9.7418 9.7418 k = 0.3333 0.5774 0.4314 ( 12171 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3786 -31.3786 -21.6452 -21.6452 -21.6452 -21.6452 -20.1597 -20.1597 -19.9090 -19.9090 -19.9089 -19.9089 -19.5391 -19.5391 -19.5122 -19.5122 -19.5031 -19.5031 -10.3632 -10.3632 -10.3364 -10.3364 -10.3261 -10.3261 -10.2772 -10.2772 -8.0163 -8.0163 -8.0163 -8.0163 -2.8714 -2.8714 -2.8635 -2.8635 -2.4930 -2.4930 -2.4706 -2.4706 -2.4081 -2.4081 -2.1581 -2.1581 -1.7781 -1.7781 -1.7779 -1.7779 -1.5643 -1.5643 -1.0510 -1.0510 -0.9590 -0.9590 -0.9204 -0.9204 -0.8504 -0.8504 -0.7274 -0.7274 -0.7203 -0.7203 -0.4815 -0.4815 -0.3228 -0.3228 -0.3076 -0.3076 5.0730 5.0730 5.0888 5.0888 5.1346 5.1346 7.6743 7.6743 7.6755 7.6755 9.7937 9.7937 9.7961 9.7961 k = 0.3333 0.5774 0.4502 ( 12171 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3786 -31.3786 -21.6449 -21.6449 -21.6449 -21.6449 -20.1565 -20.1565 -19.9103 -19.9103 -19.9102 -19.9102 -19.5391 -19.5391 -19.5113 -19.5113 -19.5056 -19.5056 -10.3634 -10.3634 -10.3367 -10.3367 -10.3264 -10.3264 -10.2774 -10.2774 -8.0172 -8.0172 -8.0172 -8.0172 -2.8750 -2.8750 -2.8666 -2.8666 -2.4945 -2.4945 -2.4715 -2.4715 -2.3995 -2.3995 -2.1369 -2.1369 -1.7858 -1.7858 -1.7857 -1.7857 -1.5767 -1.5767 -1.0456 -1.0456 -0.9587 -0.9587 -0.9181 -0.9181 -0.8706 -0.8706 -0.7102 -0.7102 -0.7032 -0.7032 -0.4876 -0.4876 -0.3243 -0.3243 -0.3089 -0.3089 5.0711 5.0711 5.0878 5.0878 5.1365 5.1365 7.6746 7.6746 7.6758 7.6758 9.8488 9.8488 9.8512 9.8512 k = 0.3333 0.5774 0.4689 ( 12171 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3786 -31.3786 -21.6446 -21.6446 -21.6446 -21.6446 -20.1534 -20.1534 -19.9114 -19.9114 -19.9114 -19.9114 -19.5392 -19.5392 -19.5104 -19.5104 -19.5078 -19.5078 -10.3635 -10.3635 -10.3370 -10.3370 -10.3266 -10.3266 -10.2775 -10.2775 -8.0179 -8.0179 -8.0179 -8.0179 -2.8783 -2.8783 -2.8696 -2.8696 -2.4956 -2.4956 -2.4720 -2.4720 -2.3923 -2.3923 -2.1149 -2.1149 -1.7931 -1.7931 -1.7930 -1.7930 -1.5898 -1.5898 -1.0405 -1.0405 -0.9598 -0.9598 -0.9160 -0.9160 -0.8883 -0.8883 -0.6940 -0.6940 -0.6869 -0.6869 -0.4933 -0.4933 -0.3262 -0.3262 -0.3105 -0.3105 5.0693 5.0693 5.0867 5.0867 5.1384 5.1384 7.6749 7.6749 7.6761 7.6761 9.9041 9.9041 9.9066 9.9066 k = 0.3333 0.5774 0.4877 ( 12153 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6443 -21.6443 -21.6443 -21.6443 -20.1507 -20.1507 -19.9125 -19.9125 -19.9125 -19.9125 -19.5395 -19.5395 -19.5097 -19.5097 -19.5096 -19.5096 -10.3636 -10.3636 -10.3373 -10.3373 -10.3269 -10.3269 -10.2777 -10.2777 -8.0186 -8.0186 -8.0186 -8.0186 -2.8815 -2.8815 -2.8725 -2.8725 -2.4962 -2.4962 -2.4723 -2.4723 -2.3862 -2.3862 -2.0926 -2.0926 -1.7997 -1.7997 -1.7997 -1.7997 -1.6032 -1.6032 -1.0359 -1.0359 -0.9626 -0.9626 -0.9141 -0.9141 -0.9025 -0.9025 -0.6789 -0.6789 -0.6718 -0.6718 -0.4986 -0.4986 -0.3284 -0.3284 -0.3124 -0.3124 5.0677 5.0677 5.0856 5.0856 5.1402 5.1402 7.6751 7.6751 7.6763 7.6763 9.9590 9.9590 9.9614 9.9614 k = 0.3333 0.5774 0.5064 ( 12156 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6441 -21.6441 -21.6441 -21.6441 -20.1482 -20.1482 -19.9135 -19.9135 -19.9134 -19.9134 -19.5400 -19.5400 -19.5111 -19.5111 -19.5090 -19.5090 -10.3636 -10.3636 -10.3375 -10.3375 -10.3271 -10.3271 -10.2778 -10.2778 -8.0192 -8.0192 -8.0192 -8.0192 -2.8843 -2.8843 -2.8751 -2.8751 -2.4966 -2.4966 -2.4723 -2.4723 -2.3812 -2.3812 -2.0706 -2.0706 -1.8058 -1.8058 -1.8057 -1.8057 -1.6169 -1.6169 -1.0317 -1.0317 -0.9677 -0.9677 -0.9127 -0.9127 -0.9123 -0.9123 -0.6652 -0.6652 -0.6580 -0.6580 -0.5033 -0.5033 -0.3307 -0.3307 -0.3144 -0.3144 5.0663 5.0663 5.0847 5.0847 5.1418 5.1418 7.6753 7.6753 7.6765 7.6765 10.0125 10.0125 10.0150 10.0150 k = 0.3333 0.5774 0.5252 ( 12156 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6439 -21.6439 -21.6439 -21.6439 -20.1461 -20.1461 -19.9143 -19.9143 -19.9142 -19.9142 -19.5405 -19.5405 -19.5123 -19.5123 -19.5084 -19.5084 -10.3637 -10.3637 -10.3377 -10.3377 -10.3273 -10.3273 -10.2779 -10.2779 -8.0197 -8.0197 -8.0197 -8.0197 -2.8868 -2.8868 -2.8775 -2.8775 -2.4968 -2.4968 -2.4722 -2.4722 -2.3771 -2.3771 -2.0495 -2.0495 -1.8110 -1.8110 -1.8109 -1.8109 -1.6303 -1.6303 -1.0281 -1.0281 -0.9746 -0.9746 -0.9190 -0.9190 -0.9109 -0.9109 -0.6531 -0.6531 -0.6458 -0.6458 -0.5074 -0.5074 -0.3331 -0.3331 -0.3166 -0.3166 5.0651 5.0651 5.0838 5.0838 5.1433 5.1433 7.6754 7.6754 7.6767 7.6767 10.0636 10.0636 10.0660 10.0660 k = 0.3333 0.5774 0.5439 ( 12162 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6437 -21.6437 -21.6437 -21.6437 -20.1443 -20.1443 -19.9149 -19.9149 -19.9149 -19.9149 -19.5410 -19.5410 -19.5131 -19.5131 -19.5079 -19.5079 -10.3638 -10.3638 -10.3378 -10.3378 -10.3275 -10.3275 -10.2780 -10.2780 -8.0202 -8.0202 -8.0202 -8.0202 -2.8890 -2.8890 -2.8794 -2.8794 -2.4969 -2.4969 -2.4720 -2.4720 -2.3739 -2.3739 -2.0302 -2.0302 -1.8154 -1.8154 -1.8153 -1.8153 -1.6431 -1.6431 -1.0252 -1.0252 -0.9820 -0.9820 -0.9226 -0.9226 -0.9097 -0.9097 -0.6429 -0.6429 -0.6354 -0.6354 -0.5109 -0.5109 -0.3354 -0.3354 -0.3186 -0.3186 5.0641 5.0641 5.0830 5.0830 5.1444 5.1444 7.6756 7.6756 7.6768 7.6768 10.1106 10.1106 10.1130 10.1130 k = 0.3333 0.5774 0.5627 ( 12177 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6436 -21.6436 -21.6436 -21.6436 -20.1429 -20.1429 -19.9155 -19.9155 -19.9154 -19.9154 -19.5415 -19.5415 -19.5137 -19.5137 -19.5075 -19.5075 -10.3638 -10.3638 -10.3379 -10.3379 -10.3276 -10.3276 -10.2781 -10.2781 -8.0205 -8.0205 -8.0205 -8.0205 -2.8907 -2.8907 -2.8810 -2.8810 -2.4969 -2.4969 -2.4718 -2.4718 -2.3715 -2.3715 -2.0136 -2.0136 -1.8189 -1.8189 -1.8187 -1.8187 -1.6544 -1.6544 -1.0230 -1.0230 -0.9887 -0.9887 -0.9245 -0.9245 -0.9087 -0.9087 -0.6346 -0.6346 -0.6270 -0.6270 -0.5137 -0.5137 -0.3374 -0.3374 -0.3203 -0.3203 5.0633 5.0633 5.0824 5.0824 5.1454 5.1454 7.6757 7.6757 7.6769 7.6769 10.1514 10.1514 10.1539 10.1539 k = 0.3333 0.5774 0.5814 ( 12144 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3787 -31.3787 -21.6435 -21.6435 -21.6435 -21.6435 -20.1418 -20.1418 -19.9158 -19.9158 -19.9158 -19.9158 -19.5420 -19.5420 -19.5141 -19.5141 -19.5072 -19.5072 -10.3639 -10.3639 -10.3380 -10.3380 -10.3277 -10.3277 -10.2781 -10.2781 -8.0208 -8.0208 -8.0208 -8.0208 -2.8919 -2.8919 -2.8822 -2.8822 -2.4968 -2.4968 -2.4716 -2.4716 -2.3698 -2.3698 -2.0006 -2.0006 -1.8215 -1.8215 -1.8212 -1.8212 -1.6635 -1.6635 -1.0215 -1.0215 -0.9938 -0.9938 -0.9254 -0.9254 -0.9080 -0.9080 -0.6286 -0.6286 -0.6208 -0.6208 -0.5157 -0.5157 -0.3390 -0.3390 -0.3217 -0.3217 5.0627 5.0627 5.0820 5.0820 5.1461 5.1461 7.6757 7.6757 7.6770 7.6770 10.1837 10.1837 10.1861 10.1861 k = 0.3333 0.5774 0.6002 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6434 -21.6434 -21.6434 -21.6434 -20.1412 -20.1412 -19.9161 -19.9161 -19.9160 -19.9160 -19.5422 -19.5422 -19.5144 -19.5144 -19.5070 -19.5070 -10.3639 -10.3639 -10.3381 -10.3381 -10.3277 -10.3277 -10.2782 -10.2782 -8.0209 -8.0209 -8.0209 -8.0209 -2.8927 -2.8927 -2.8829 -2.8829 -2.4968 -2.4968 -2.4714 -2.4714 -2.3688 -2.3688 -1.9923 -1.9923 -1.8230 -1.8230 -1.8227 -1.8227 -1.6694 -1.6694 -1.0208 -1.0208 -0.9969 -0.9969 -0.9258 -0.9258 -0.9076 -0.9076 -0.6249 -0.6249 -0.6171 -0.6171 -0.5169 -0.5169 -0.3400 -0.3400 -0.3226 -0.3226 5.0624 5.0624 5.0817 5.0817 5.1465 5.1465 7.6758 7.6758 7.6771 7.6771 10.2045 10.2045 10.2069 10.2069 k = 0.3333 0.5774 0.6190 ( 12138 PWs) bands (ev): -55.2152 -55.2152 -32.0247 -32.0247 -31.3964 -31.3964 -31.3788 -31.3788 -21.6434 -21.6434 -21.6434 -21.6434 -20.1410 -20.1410 -19.9161 -19.9161 -19.9161 -19.9161 -19.5423 -19.5423 -19.5144 -19.5144 -19.5070 -19.5070 -10.3639 -10.3639 -10.3381 -10.3381 -10.3277 -10.3277 -10.2782 -10.2782 -8.0210 -8.0210 -8.0210 -8.0210 -2.8929 -2.8929 -2.8831 -2.8831 -2.4967 -2.4967 -2.4714 -2.4714 -2.3684 -2.3684 -1.9895 -1.9895 -1.8235 -1.8235 -1.8232 -1.8232 -1.6714 -1.6714 -1.0205 -1.0205 -0.9979 -0.9979 -0.9260 -0.9260 -0.9074 -0.9074 -0.6236 -0.6236 -0.6158 -0.6158 -0.5173 -0.5173 -0.3404 -0.3404 -0.3229 -0.3229 5.0622 5.0622 5.0816 5.0816 5.1466 5.1466 7.6758 7.6758 7.6771 7.6771 10.2117 10.2117 10.2141 10.2141 Writing output data file TiH8xNF3x2.save init_run : 0.25s CPU 0.39s WALL ( 1 calls) electrons : 390.30s CPU 397.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 390.29s CPU 397.03s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.15s CPU 0.19s WALL ( 278 calls) cegterg : 358.30s CPU 363.81s WALL ( 278 calls) Called by sum_band: Called by *egterg: h_psi : 243.86s CPU 246.22s WALL ( 4120 calls) s_psi : 8.46s CPU 8.60s WALL ( 4120 calls) g_psi : 0.84s CPU 0.86s WALL ( 3564 calls) cdiaghg : 69.95s CPU 71.08s WALL ( 3842 calls) cegterg:over : 24.94s CPU 24.66s WALL ( 3564 calls) cegterg:upda : 20.20s CPU 20.33s WALL ( 3564 calls) cegterg:last : 12.03s CPU 12.03s WALL ( 834 calls) cdiaghg:chol : 3.98s CPU 4.30s WALL ( 3842 calls) cdiaghg:inve : 3.05s CPU 3.13s WALL ( 3842 calls) cdiaghg:para : 5.78s CPU 5.92s WALL ( 7684 calls) Called by h_psi: h_psi:vloc : 220.34s CPU 222.62s WALL ( 4120 calls) h_psi:vnl : 22.64s CPU 22.75s WALL ( 4120 calls) add_vuspsi : 10.09s CPU 10.39s WALL ( 4120 calls) General routines calbec : 12.52s CPU 12.35s WALL ( 4120 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 207.89s CPU 209.90s WALL ( 955868 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.38s WALL ( 556 calls) Parallel routines fft_scatter : 60.18s CPU 60.76s WALL ( 955891 calls) PWSCF : 7m13.66s CPU 7m41.33s WALL This run was terminated on: 18: 8:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=