Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4:29 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: ./SrxZnPx2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 20 5 1493 784 119 Max 32 21 6 1500 805 128 Sum 1147 745 211 53921 28677 4477 bravais-lattice index = 14 lattice parameter (alat) = 7.7479 a.u. unit-cell volume = 697.6127 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.747877 celldm(2)= 1.000000 celldm(3)= 1.731951 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.731951 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.577383 ) PseudoPot. # 1 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zn 12.00 65.40900 Zn( 1.00) Sr 10.00 87.62000 Sr( 1.00) P 5.00 30.97380 P( 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= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0030864 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0030864 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0030864 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0030864 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0030864 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0030864 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0030864 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0030864 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0030864 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0030864 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0030864 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0030864 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0030864 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0030864 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0030864 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0030864 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0030864 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0030864 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0030864 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0030864 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0030864 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0030864 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0030864 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0030864 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0030864 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0030864 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0030864 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0030864 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0030864 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0030864 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0030864 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0030864 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0030864 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0030864 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0030864 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0030864 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0030864 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0030864 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0030864 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0030864 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0030864 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0030864 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0030864 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0030864 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030864 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030864 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0030864 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0030864 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0030864 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0030864 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0030864 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0030864 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0030864 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0030864 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0030864 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0030864 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0030864 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0030864 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030864 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0030864 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0030864 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0030864 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0030864 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0030864 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0030864 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0030864 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0030864 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0030864 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0030864 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0030864 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0030864 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030864 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030864 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0030864 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0030864 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0030864 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0030864 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0030864 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0030864 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0030864 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0030864 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0030864 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0030864 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0030864 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0030864 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0030864 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0030864 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0030864 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0030864 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0030864 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0030864 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0030864 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0030864 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0030864 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0030864 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0030864 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0030864 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0030864 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030864 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0030864 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0030864 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0030864 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0030864 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0030864 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0030864 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0030864 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0030864 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0030864 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0030864 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0030864 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0030864 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0030864 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0030864 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0030864 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0030864 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0030864 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0030864 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0030864 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0030864 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0030864 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0030864 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0030864 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0030864 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0030864 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 128) = ( 0.0000000 0.0000000 0.0125518), wk = 0.0030864 k( 129) = ( 0.0000000 0.0000000 0.0251036), wk = 0.0030864 k( 130) = ( 0.0000000 0.0000000 0.0376554), wk = 0.0030864 k( 131) = ( 0.0000000 0.0000000 0.0502073), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.0627591), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.0753109), wk = 0.0030864 k( 134) = ( 0.0000000 0.0000000 0.0878627), wk = 0.0030864 k( 135) = ( 0.0000000 0.0000000 0.1004145), wk = 0.0030864 k( 136) = ( 0.0000000 0.0000000 0.1129663), wk = 0.0030864 k( 137) = ( 0.0000000 0.0000000 0.1255181), wk = 0.0030864 k( 138) = ( 0.0000000 0.0000000 0.1380700), wk = 0.0030864 k( 139) = ( 0.0000000 0.0000000 0.1506218), wk = 0.0030864 k( 140) = ( 0.0000000 0.0000000 0.1631736), wk = 0.0030864 k( 141) = ( 0.0000000 0.0000000 0.1757254), wk = 0.0030864 k( 142) = ( 0.0000000 0.0000000 0.1882772), wk = 0.0030864 k( 143) = ( 0.0000000 0.0000000 0.2008290), wk = 0.0030864 k( 144) = ( 0.0000000 0.0000000 0.2133808), wk = 0.0030864 k( 145) = ( 0.0000000 0.0000000 0.2259327), wk = 0.0030864 k( 146) = ( 0.0000000 0.0000000 0.2384845), wk = 0.0030864 k( 147) = ( 0.0000000 0.0000000 0.2510363), wk = 0.0030864 k( 148) = ( 0.0000000 0.0000000 0.2635881), wk = 0.0030864 k( 149) = ( 0.0000000 0.0000000 0.2761399), wk = 0.0030864 k( 150) = ( 0.0000000 0.0000000 0.2886917), wk = 0.0030864 k( 151) = ( 0.0000000 0.0000000 0.2886917), wk = 0.0030864 k( 152) = ( 0.0111111 0.0064150 0.2886917), wk = 0.0030864 k( 153) = ( 0.0222222 0.0128300 0.2886917), wk = 0.0030864 k( 154) = ( 0.0333333 0.0192450 0.2886917), wk = 0.0030864 k( 155) = ( 0.0444444 0.0256600 0.2886917), wk = 0.0030864 k( 156) = ( 0.0555556 0.0320750 0.2886917), wk = 0.0030864 k( 157) = ( 0.0666667 0.0384900 0.2886917), wk = 0.0030864 k( 158) = ( 0.0777778 0.0449050 0.2886917), wk = 0.0030864 k( 159) = ( 0.0888889 0.0513200 0.2886917), wk = 0.0030864 k( 160) = ( 0.1000000 0.0577350 0.2886917), wk = 0.0030864 k( 161) = ( 0.1111111 0.0641500 0.2886917), wk = 0.0030864 k( 162) = ( 0.1222222 0.0705650 0.2886917), wk = 0.0030864 k( 163) = ( 0.1333333 0.0769800 0.2886917), wk = 0.0030864 k( 164) = ( 0.1444444 0.0833950 0.2886917), wk = 0.0030864 k( 165) = ( 0.1555556 0.0898100 0.2886917), wk = 0.0030864 k( 166) = ( 0.1666667 0.0962250 0.2886917), wk = 0.0030864 k( 167) = ( 0.1777778 0.1026400 0.2886917), wk = 0.0030864 k( 168) = ( 0.1888889 0.1090551 0.2886917), wk = 0.0030864 k( 169) = ( 0.2000000 0.1154701 0.2886917), wk = 0.0030864 k( 170) = ( 0.2111111 0.1218851 0.2886917), wk = 0.0030864 k( 171) = ( 0.2222222 0.1283001 0.2886917), wk = 0.0030864 k( 172) = ( 0.2333333 0.1347151 0.2886917), wk = 0.0030864 k( 173) = ( 0.2444444 0.1411301 0.2886917), wk = 0.0030864 k( 174) = ( 0.2555556 0.1475451 0.2886917), wk = 0.0030864 k( 175) = ( 0.2666667 0.1539601 0.2886917), wk = 0.0030864 k( 176) = ( 0.2777778 0.1603751 0.2886917), wk = 0.0030864 k( 177) = ( 0.2888889 0.1667901 0.2886917), wk = 0.0030864 k( 178) = ( 0.3000000 0.1732051 0.2886917), wk = 0.0030864 k( 179) = ( 0.3111111 0.1796201 0.2886917), wk = 0.0030864 k( 180) = ( 0.3222222 0.1860351 0.2886917), wk = 0.0030864 k( 181) = ( 0.3333333 0.1924501 0.2886917), wk = 0.0030864 k( 182) = ( 0.3444444 0.1988651 0.2886917), wk = 0.0030864 k( 183) = ( 0.3555556 0.2052801 0.2886917), wk = 0.0030864 k( 184) = ( 0.3666667 0.2116951 0.2886917), wk = 0.0030864 k( 185) = ( 0.3777778 0.2181101 0.2886917), wk = 0.0030864 k( 186) = ( 0.3888889 0.2245251 0.2886917), wk = 0.0030864 k( 187) = ( 0.4000000 0.2309401 0.2886917), wk = 0.0030864 k( 188) = ( 0.4111111 0.2373551 0.2886917), wk = 0.0030864 k( 189) = ( 0.4222222 0.2437701 0.2886917), wk = 0.0030864 k( 190) = ( 0.4333333 0.2501851 0.2886917), wk = 0.0030864 k( 191) = ( 0.4444444 0.2566001 0.2886917), wk = 0.0030864 k( 192) = ( 0.4555556 0.2630151 0.2886917), wk = 0.0030864 k( 193) = ( 0.4666667 0.2694301 0.2886917), wk = 0.0030864 k( 194) = ( 0.4777778 0.2758451 0.2886917), wk = 0.0030864 k( 195) = ( 0.4888889 0.2822601 0.2886917), wk = 0.0030864 k( 196) = ( 0.5000000 0.2886751 0.2886917), wk = 0.0030864 k( 197) = ( 0.5000000 0.2886751 0.2886917), wk = 0.0030864 k( 198) = ( 0.4935897 0.2997780 0.2886917), wk = 0.0030864 k( 199) = ( 0.4871795 0.3108809 0.2886917), wk = 0.0030864 k( 200) = ( 0.4807692 0.3219838 0.2886917), wk = 0.0030864 k( 201) = ( 0.4743590 0.3330867 0.2886917), wk = 0.0030864 k( 202) = ( 0.4679487 0.3441896 0.2886917), wk = 0.0030864 k( 203) = ( 0.4615385 0.3552925 0.2886917), wk = 0.0030864 k( 204) = ( 0.4551282 0.3663954 0.2886917), wk = 0.0030864 k( 205) = ( 0.4487179 0.3774983 0.2886917), wk = 0.0030864 k( 206) = ( 0.4423077 0.3886011 0.2886917), wk = 0.0030864 k( 207) = ( 0.4358974 0.3997040 0.2886917), wk = 0.0030864 k( 208) = ( 0.4294872 0.4108069 0.2886917), wk = 0.0030864 k( 209) = ( 0.4230769 0.4219098 0.2886917), wk = 0.0030864 k( 210) = ( 0.4166667 0.4330127 0.2886917), wk = 0.0030864 k( 211) = ( 0.4102564 0.4441156 0.2886917), wk = 0.0030864 k( 212) = ( 0.4038462 0.4552185 0.2886917), wk = 0.0030864 k( 213) = ( 0.3974359 0.4663214 0.2886917), wk = 0.0030864 k( 214) = ( 0.3910256 0.4774243 0.2886917), wk = 0.0030864 k( 215) = ( 0.3846154 0.4885271 0.2886917), wk = 0.0030864 k( 216) = ( 0.3782051 0.4996300 0.2886917), wk = 0.0030864 k( 217) = ( 0.3717949 0.5107329 0.2886917), wk = 0.0030864 k( 218) = ( 0.3653846 0.5218358 0.2886917), wk = 0.0030864 k( 219) = ( 0.3589744 0.5329387 0.2886917), wk = 0.0030864 k( 220) = ( 0.3525641 0.5440416 0.2886917), wk = 0.0030864 k( 221) = ( 0.3461538 0.5551445 0.2886917), wk = 0.0030864 k( 222) = ( 0.3397436 0.5662474 0.2886917), wk = 0.0030864 k( 223) = ( 0.3333333 0.5773503 0.2886917), wk = 0.0030864 k( 224) = ( 0.3333333 0.5773503 0.2886917), wk = 0.0030864 k( 225) = ( 0.3269231 0.5662474 0.2886917), wk = 0.0030864 k( 226) = ( 0.3205128 0.5551445 0.2886917), wk = 0.0030864 k( 227) = ( 0.3141026 0.5440416 0.2886917), wk = 0.0030864 k( 228) = ( 0.3076923 0.5329387 0.2886917), wk = 0.0030864 k( 229) = ( 0.3012821 0.5218358 0.2886917), wk = 0.0030864 k( 230) = ( 0.2948718 0.5107329 0.2886917), wk = 0.0030864 k( 231) = ( 0.2884615 0.4996300 0.2886917), wk = 0.0030864 k( 232) = ( 0.2820513 0.4885271 0.2886917), wk = 0.0030864 k( 233) = ( 0.2756410 0.4774243 0.2886917), wk = 0.0030864 k( 234) = ( 0.2692308 0.4663214 0.2886917), wk = 0.0030864 k( 235) = ( 0.2628205 0.4552185 0.2886917), wk = 0.0030864 k( 236) = ( 0.2564103 0.4441156 0.2886917), wk = 0.0030864 k( 237) = ( 0.2500000 0.4330127 0.2886917), wk = 0.0030864 k( 238) = ( 0.2435897 0.4219098 0.2886917), wk = 0.0030864 k( 239) = ( 0.2371795 0.4108069 0.2886917), wk = 0.0030864 k( 240) = ( 0.2307692 0.3997040 0.2886917), wk = 0.0030864 k( 241) = ( 0.2243590 0.3886011 0.2886917), wk = 0.0030864 k( 242) = ( 0.2179487 0.3774983 0.2886917), wk = 0.0030864 k( 243) = ( 0.2115385 0.3663954 0.2886917), wk = 0.0030864 k( 244) = ( 0.2051282 0.3552925 0.2886917), wk = 0.0030864 k( 245) = ( 0.1987180 0.3441896 0.2886917), wk = 0.0030864 k( 246) = ( 0.1923077 0.3330867 0.2886917), wk = 0.0030864 k( 247) = ( 0.1858974 0.3219838 0.2886917), wk = 0.0030864 k( 248) = ( 0.1794872 0.3108809 0.2886917), wk = 0.0030864 k( 249) = ( 0.1730769 0.2997780 0.2886917), wk = 0.0030864 k( 250) = ( 0.1666667 0.2886751 0.2886917), wk = 0.0030864 k( 251) = ( 0.1602564 0.2775722 0.2886917), wk = 0.0030864 k( 252) = ( 0.1538461 0.2664693 0.2886917), wk = 0.0030864 k( 253) = ( 0.1474359 0.2553665 0.2886917), wk = 0.0030864 k( 254) = ( 0.1410256 0.2442636 0.2886917), wk = 0.0030864 k( 255) = ( 0.1346154 0.2331607 0.2886917), wk = 0.0030864 k( 256) = ( 0.1282051 0.2220578 0.2886917), wk = 0.0030864 k( 257) = ( 0.1217949 0.2109549 0.2886917), wk = 0.0030864 k( 258) = ( 0.1153846 0.1998520 0.2886917), wk = 0.0030864 k( 259) = ( 0.1089744 0.1887491 0.2886917), wk = 0.0030864 k( 260) = ( 0.1025641 0.1776462 0.2886917), wk = 0.0030864 k( 261) = ( 0.0961538 0.1665434 0.2886917), wk = 0.0030864 k( 262) = ( 0.0897436 0.1554405 0.2886917), wk = 0.0030864 k( 263) = ( 0.0833333 0.1443376 0.2886917), wk = 0.0030864 k( 264) = ( 0.0769231 0.1332347 0.2886917), wk = 0.0030864 k( 265) = ( 0.0705128 0.1221318 0.2886917), wk = 0.0030864 k( 266) = ( 0.0641026 0.1110289 0.2886917), wk = 0.0030864 k( 267) = ( 0.0576923 0.0999260 0.2886917), wk = 0.0030864 k( 268) = ( 0.0512821 0.0888231 0.2886917), wk = 0.0030864 k( 269) = ( 0.0448718 0.0777202 0.2886917), wk = 0.0030864 k( 270) = ( 0.0384615 0.0666173 0.2886917), wk = 0.0030864 k( 271) = ( 0.0320513 0.0555144 0.2886917), wk = 0.0030864 k( 272) = ( 0.0256410 0.0444116 0.2886917), wk = 0.0030864 k( 273) = ( 0.0192308 0.0333087 0.2886917), wk = 0.0030864 k( 274) = ( 0.0128205 0.0222058 0.2886917), wk = 0.0030864 k( 275) = ( 0.0064103 0.0111029 0.2886917), wk = 0.0030864 k( 276) = ( 0.0000000 0.0000000 0.2886917), wk = 0.0030864 k( 277) = ( 0.5000000 0.2886751 0.2886917), wk = 0.0030864 k( 278) = ( 0.5000000 0.2886751 0.2761399), wk = 0.0030864 k( 279) = ( 0.5000000 0.2886751 0.2635881), wk = 0.0030864 k( 280) = ( 0.5000000 0.2886751 0.2510363), wk = 0.0030864 k( 281) = ( 0.5000000 0.2886751 0.2384845), wk = 0.0030864 k( 282) = ( 0.5000000 0.2886751 0.2259327), wk = 0.0030864 k( 283) = ( 0.5000000 0.2886751 0.2133808), wk = 0.0030864 k( 284) = ( 0.5000000 0.2886751 0.2008290), wk = 0.0030864 k( 285) = ( 0.5000000 0.2886751 0.1882772), wk = 0.0030864 k( 286) = ( 0.5000000 0.2886751 0.1757254), wk = 0.0030864 k( 287) = ( 0.5000000 0.2886751 0.1631736), wk = 0.0030864 k( 288) = ( 0.5000000 0.2886751 0.1506218), wk = 0.0030864 k( 289) = ( 0.5000000 0.2886751 0.1380700), wk = 0.0030864 k( 290) = ( 0.5000000 0.2886751 0.1255181), wk = 0.0030864 k( 291) = ( 0.5000000 0.2886751 0.1129663), wk = 0.0030864 k( 292) = ( 0.5000000 0.2886751 0.1004145), wk = 0.0030864 k( 293) = ( 0.5000000 0.2886751 0.0878627), wk = 0.0030864 k( 294) = ( 0.5000000 0.2886751 0.0753109), wk = 0.0030864 k( 295) = ( 0.5000000 0.2886751 0.0627591), wk = 0.0030864 k( 296) = ( 0.5000000 0.2886751 0.0502073), wk = 0.0030864 k( 297) = ( 0.5000000 0.2886751 0.0376554), wk = 0.0030864 k( 298) = ( 0.5000000 0.2886751 0.0251036), wk = 0.0030864 k( 299) = ( 0.5000000 0.2886751 0.0125518), wk = 0.0030864 k( 300) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030864 k( 301) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030864 k( 302) = ( 0.3333333 0.5773503 0.0125518), wk = 0.0030864 k( 303) = ( 0.3333333 0.5773503 0.0251036), wk = 0.0030864 k( 304) = ( 0.3333333 0.5773503 0.0376554), wk = 0.0030864 k( 305) = ( 0.3333333 0.5773503 0.0502073), wk = 0.0030864 k( 306) = ( 0.3333333 0.5773503 0.0627591), wk = 0.0030864 k( 307) = ( 0.3333333 0.5773503 0.0753109), wk = 0.0030864 k( 308) = ( 0.3333333 0.5773503 0.0878627), wk = 0.0030864 k( 309) = ( 0.3333333 0.5773503 0.1004145), wk = 0.0030864 k( 310) = ( 0.3333333 0.5773503 0.1129663), wk = 0.0030864 k( 311) = ( 0.3333333 0.5773503 0.1255181), wk = 0.0030864 k( 312) = ( 0.3333333 0.5773503 0.1380700), wk = 0.0030864 k( 313) = ( 0.3333333 0.5773503 0.1506218), wk = 0.0030864 k( 314) = ( 0.3333333 0.5773503 0.1631736), wk = 0.0030864 k( 315) = ( 0.3333333 0.5773503 0.1757254), wk = 0.0030864 k( 316) = ( 0.3333333 0.5773503 0.1882772), wk = 0.0030864 k( 317) = ( 0.3333333 0.5773503 0.2008290), wk = 0.0030864 k( 318) = ( 0.3333333 0.5773503 0.2133808), wk = 0.0030864 k( 319) = ( 0.3333333 0.5773503 0.2259327), wk = 0.0030864 k( 320) = ( 0.3333333 0.5773503 0.2384845), wk = 0.0030864 k( 321) = ( 0.3333333 0.5773503 0.2510363), wk = 0.0030864 k( 322) = ( 0.3333333 0.5773503 0.2635881), wk = 0.0030864 k( 323) = ( 0.3333333 0.5773503 0.2761399), wk = 0.0030864 k( 324) = ( 0.3333333 0.5773503 0.2886917), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0030864 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0030864 k( 4) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0030864 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0030864 k( 6) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0030864 k( 7) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0030864 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0030864 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0030864 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0030864 k( 11) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0030864 k( 12) = ( 0.1222222 -0.0000000 0.0000000), wk = 0.0030864 k( 13) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0030864 k( 14) = ( 0.1444444 -0.0000000 0.0000000), wk = 0.0030864 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0030864 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0030864 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0030864 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0030864 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0030864 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0030864 k( 21) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0030864 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0030864 k( 23) = ( 0.2444444 -0.0000000 0.0000000), wk = 0.0030864 k( 24) = ( 0.2555556 -0.0000000 0.0000000), wk = 0.0030864 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0030864 k( 26) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0030864 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0030864 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030864 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0030864 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0030864 k( 31) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0030864 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0030864 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0030864 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0030864 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0030864 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0030864 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0030864 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0030864 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0030864 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0030864 k( 41) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0030864 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0030864 k( 43) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0030864 k( 44) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0030864 k( 45) = ( 0.4888889 -0.0000000 0.0000000), wk = 0.0030864 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0030864 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0030864 k( 50) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0030864 k( 51) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0030864 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0030864 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0030864 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0030864 k( 55) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0030864 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0030864 k( 57) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0030864 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0030864 k( 59) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0030864 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030864 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0030864 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0030864 k( 63) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0030864 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0030864 k( 65) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0030864 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0030864 k( 67) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0030864 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0030864 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0030864 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0030864 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0030864 k( 72) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0030864 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030864 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030864 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0030864 k( 76) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0030864 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0030864 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0030864 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0030864 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0030864 k( 81) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0030864 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0030864 k( 83) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0030864 k( 84) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0030864 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0030864 k( 86) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0030864 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030864 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0030864 k( 89) = ( 0.2371795 0.2371795 0.0000000), wk = 0.0030864 k( 90) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0030864 k( 91) = ( 0.2243590 0.2243590 0.0000000), wk = 0.0030864 k( 92) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0030864 k( 93) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0030864 k( 94) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0030864 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0030864 k( 96) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0030864 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0030864 k( 98) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0030864 k( 99) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0030864 k( 100) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030864 k( 101) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0030864 k( 102) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0030864 k( 103) = ( 0.1474359 0.1474359 0.0000000), wk = 0.0030864 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0030864 k( 105) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0030864 k( 106) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0030864 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0030864 k( 108) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0030864 k( 109) = ( 0.1089744 0.1089744 0.0000000), wk = 0.0030864 k( 110) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0030864 k( 111) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0030864 k( 112) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0030864 k( 113) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0030864 k( 114) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0030864 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0030864 k( 116) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0030864 k( 117) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0030864 k( 118) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0030864 k( 119) = ( 0.0448718 0.0448718 0.0000000), wk = 0.0030864 k( 120) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0030864 k( 121) = ( 0.0320513 0.0320513 -0.0000000), wk = 0.0030864 k( 122) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0030864 k( 123) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0030864 k( 124) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0030864 k( 125) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0030864 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 128) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0030864 k( 129) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0030864 k( 130) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0030864 k( 131) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0030864 k( 134) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0030864 k( 135) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0030864 k( 136) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0030864 k( 137) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0030864 k( 138) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0030864 k( 139) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0030864 k( 140) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0030864 k( 141) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0030864 k( 142) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0030864 k( 143) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0030864 k( 144) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0030864 k( 145) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0030864 k( 146) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0030864 k( 147) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0030864 k( 148) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0030864 k( 149) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0030864 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 152) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0030864 k( 153) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0030864 k( 154) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0030864 k( 155) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0030864 k( 156) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0030864 k( 157) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0030864 k( 158) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0030864 k( 159) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0030864 k( 160) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0030864 k( 161) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0030864 k( 162) = ( 0.1222222 -0.0000000 0.5000000), wk = 0.0030864 k( 163) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0030864 k( 164) = ( 0.1444444 -0.0000000 0.5000000), wk = 0.0030864 k( 165) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0030864 k( 166) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0030864 k( 167) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0030864 k( 168) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0030864 k( 169) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0030864 k( 170) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0030864 k( 171) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0030864 k( 172) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0030864 k( 173) = ( 0.2444444 -0.0000000 0.5000000), wk = 0.0030864 k( 174) = ( 0.2555556 -0.0000000 0.5000000), wk = 0.0030864 k( 175) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0030864 k( 176) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0030864 k( 177) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0030864 k( 178) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0030864 k( 179) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0030864 k( 180) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0030864 k( 181) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0030864 k( 182) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0030864 k( 183) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0030864 k( 184) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0030864 k( 185) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0030864 k( 186) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0030864 k( 187) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0030864 k( 188) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0030864 k( 189) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0030864 k( 190) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0030864 k( 191) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0030864 k( 192) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0030864 k( 193) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0030864 k( 194) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0030864 k( 195) = ( 0.4888889 -0.0000000 0.5000000), wk = 0.0030864 k( 196) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 198) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0030864 k( 199) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0030864 k( 200) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0030864 k( 201) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0030864 k( 202) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0030864 k( 203) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0030864 k( 204) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0030864 k( 205) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0030864 k( 206) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0030864 k( 207) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0030864 k( 208) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0030864 k( 209) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0030864 k( 210) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030864 k( 211) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0030864 k( 212) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0030864 k( 213) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0030864 k( 214) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0030864 k( 215) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0030864 k( 216) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0030864 k( 217) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0030864 k( 218) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0030864 k( 219) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0030864 k( 220) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0030864 k( 221) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0030864 k( 222) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0030864 k( 223) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030864 k( 224) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030864 k( 225) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0030864 k( 226) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0030864 k( 227) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0030864 k( 228) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0030864 k( 229) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0030864 k( 230) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0030864 k( 231) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0030864 k( 232) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0030864 k( 233) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0030864 k( 234) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0030864 k( 235) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0030864 k( 236) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0030864 k( 237) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030864 k( 238) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0030864 k( 239) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0030864 k( 240) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0030864 k( 241) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0030864 k( 242) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0030864 k( 243) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0030864 k( 244) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0030864 k( 245) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0030864 k( 246) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0030864 k( 247) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0030864 k( 248) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0030864 k( 249) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0030864 k( 250) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030864 k( 251) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0030864 k( 252) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0030864 k( 253) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0030864 k( 254) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0030864 k( 255) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0030864 k( 256) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0030864 k( 257) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0030864 k( 258) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0030864 k( 259) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0030864 k( 260) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0030864 k( 261) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0030864 k( 262) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0030864 k( 263) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0030864 k( 264) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0030864 k( 265) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0030864 k( 266) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0030864 k( 267) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0030864 k( 268) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0030864 k( 269) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0030864 k( 270) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0030864 k( 271) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0030864 k( 272) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0030864 k( 273) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0030864 k( 274) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0030864 k( 275) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0030864 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 277) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 278) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0030864 k( 279) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0030864 k( 280) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0030864 k( 281) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0030864 k( 282) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0030864 k( 283) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0030864 k( 284) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0030864 k( 285) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0030864 k( 286) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0030864 k( 287) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0030864 k( 288) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0030864 k( 289) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0030864 k( 290) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0030864 k( 291) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0030864 k( 292) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0030864 k( 293) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0030864 k( 294) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0030864 k( 295) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0030864 k( 296) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0030864 k( 297) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0030864 k( 298) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0030864 k( 299) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0030864 k( 300) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 301) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030864 k( 302) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0030864 k( 303) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0030864 k( 304) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0030864 k( 305) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0030864 k( 306) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0030864 k( 307) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0030864 k( 308) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0030864 k( 309) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0030864 k( 310) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0030864 k( 311) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0030864 k( 312) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0030864 k( 313) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0030864 k( 314) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0030864 k( 315) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0030864 k( 316) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0030864 k( 317) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0030864 k( 318) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0030864 k( 319) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0030864 k( 320) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0030864 k( 321) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0030864 k( 322) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0030864 k( 323) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0030864 k( 324) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030864 Dense grid: 53921 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 28677 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 220, 52) NL pseudopotentials 0.29 Mb ( 110, 170) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1500) G-vector shells 0.01 Mb ( 703) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 220, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./SrxZnPx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 10.0 secs Computing kpt #: 17 total cpu time spent up to now is 10.4 secs Computing kpt #: 18 total cpu time spent up to now is 10.8 secs Computing kpt #: 19 total cpu time spent up to now is 11.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.6 secs Computing kpt #: 23 total cpu time spent up to now is 13.0 secs Computing kpt #: 24 total cpu time spent up to now is 13.5 secs Computing kpt #: 25 total cpu time spent up to now is 13.9 secs Computing kpt #: 26 total cpu time spent up to now is 14.3 secs Computing kpt #: 27 total cpu time spent up to now is 14.7 secs Computing kpt #: 28 total cpu time spent up to now is 15.1 secs Computing kpt #: 29 total cpu time spent up to now is 15.5 secs Computing kpt #: 30 total cpu time spent up to now is 15.9 secs Computing kpt #: 31 total cpu time spent up to now is 16.3 secs Computing kpt #: 32 total cpu time spent up to now is 16.7 secs Computing kpt #: 33 total cpu time spent up to now is 17.2 secs Computing kpt #: 34 total cpu time spent up to now is 17.6 secs Computing kpt #: 35 total cpu time spent up to now is 18.0 secs Computing kpt #: 36 total cpu time spent up to now is 18.4 secs Computing kpt #: 37 total cpu time spent up to now is 18.9 secs Computing kpt #: 38 total cpu time spent up to now is 19.3 secs Computing kpt #: 39 total cpu time spent up to now is 19.8 secs Computing kpt #: 40 total cpu time spent up to now is 20.2 secs Computing kpt #: 41 total cpu time spent up to now is 20.6 secs Computing kpt #: 42 total cpu time spent up to now is 21.1 secs Computing kpt #: 43 total cpu time spent up to now is 21.5 secs Computing kpt #: 44 total cpu time spent up to now is 22.0 secs Computing kpt #: 45 total cpu time spent up to now is 22.5 secs Computing kpt #: 46 total cpu time spent up to now is 23.0 secs Computing kpt #: 47 total cpu time spent up to now is 23.5 secs Computing kpt #: 48 total cpu time spent up to now is 24.0 secs Computing kpt #: 49 total cpu time spent up to now is 24.5 secs Computing kpt #: 50 total cpu time spent up to now is 25.0 secs Computing kpt #: 51 total cpu time spent up to now is 25.5 secs Computing kpt #: 52 total cpu time spent up to now is 26.1 secs Computing kpt #: 53 total cpu time spent up to now is 26.5 secs Computing kpt #: 54 total cpu time spent up to now is 27.1 secs Computing kpt #: 55 total cpu time spent up to now is 27.6 secs Computing kpt #: 56 total cpu time spent up to now is 28.0 secs Computing kpt #: 57 total cpu time spent up to now is 28.6 secs Computing kpt #: 58 total cpu time spent up to now is 29.0 secs Computing kpt #: 59 total cpu time spent up to now is 29.5 secs Computing kpt #: 60 total cpu time spent up to now is 29.9 secs Computing kpt #: 61 total cpu time spent up to now is 30.3 secs Computing kpt #: 62 total cpu time spent up to now is 30.7 secs Computing kpt #: 63 total cpu time spent up to now is 31.1 secs Computing kpt #: 64 total cpu time spent up to now is 31.5 secs Computing kpt #: 65 total cpu time spent up to now is 31.9 secs Computing kpt #: 66 total cpu time spent up to now is 32.3 secs Computing kpt #: 67 total cpu time spent up to now is 32.7 secs Computing kpt #: 68 total cpu time spent up to now is 33.1 secs Computing kpt #: 69 total cpu time spent up to now is 33.5 secs Computing kpt #: 70 total cpu time spent up to now is 33.9 secs Computing kpt #: 71 total cpu time spent up to now is 34.4 secs Computing kpt #: 72 total cpu time spent up to now is 34.8 secs Computing kpt #: 73 total cpu time spent up to now is 35.3 secs Computing kpt #: 74 total cpu time spent up to now is 35.7 secs Computing kpt #: 75 total cpu time spent up to now is 36.1 secs Computing kpt #: 76 total cpu time spent up to now is 36.6 secs Computing kpt #: 77 total cpu time spent up to now is 37.0 secs Computing kpt #: 78 total cpu time spent up to now is 37.4 secs Computing kpt #: 79 total cpu time spent up to now is 37.8 secs Computing kpt #: 80 total cpu time spent up to now is 38.3 secs Computing kpt #: 81 total cpu time spent up to now is 38.7 secs Computing kpt #: 82 total cpu time spent up to now is 39.1 secs Computing kpt #: 83 total cpu time spent up to now is 39.5 secs Computing kpt #: 84 total cpu time spent up to now is 39.9 secs Computing kpt #: 85 total cpu time spent up to now is 40.3 secs Computing kpt #: 86 total cpu time spent up to now is 40.7 secs Computing kpt #: 87 total cpu time spent up to now is 41.2 secs Computing kpt #: 88 total cpu time spent up to now is 41.6 secs Computing kpt #: 89 total cpu time spent up to now is 42.0 secs Computing kpt #: 90 total cpu time spent up to now is 42.4 secs Computing kpt #: 91 total cpu time spent up to now is 42.9 secs Computing kpt #: 92 total cpu time spent up to now is 43.3 secs Computing kpt #: 93 total cpu time spent up to now is 43.7 secs Computing kpt #: 94 total cpu time spent up to now is 44.2 secs Computing kpt #: 95 total cpu time spent up to now is 44.6 secs Computing kpt #: 96 total cpu time spent up to now is 45.0 secs Computing kpt #: 97 total cpu time spent up to now is 45.5 secs Computing kpt #: 98 total cpu time spent up to now is 45.9 secs Computing kpt #: 99 total cpu time spent up to now is 46.4 secs Computing kpt #: 100 total cpu time spent up to now is 46.8 secs Computing kpt #: 101 total cpu time spent up to now is 47.2 secs Computing kpt #: 102 total cpu time spent up to now is 47.7 secs Computing kpt #: 103 total cpu time spent up to now is 48.1 secs Computing kpt #: 104 total cpu time spent up to now is 48.6 secs Computing kpt #: 105 total cpu time spent up to now is 49.0 secs Computing kpt #: 106 total cpu time spent up to now is 49.5 secs Computing kpt #: 107 total cpu time spent up to now is 49.9 secs Computing kpt #: 108 total cpu time spent up to now is 50.4 secs Computing kpt #: 109 total cpu time spent up to now is 50.8 secs Computing kpt #: 110 total cpu time spent up to now is 51.3 secs Computing kpt #: 111 total cpu time spent up to now is 51.7 secs Computing kpt #: 112 total cpu time spent up to now is 52.2 secs Computing kpt #: 113 total cpu time spent up to now is 52.6 secs Computing kpt #: 114 total cpu time spent up to now is 53.1 secs Computing kpt #: 115 total cpu time spent up to now is 53.5 secs Computing kpt #: 116 total cpu time spent up to now is 54.0 secs Computing kpt #: 117 total cpu time spent up to now is 54.5 secs Computing kpt #: 118 total cpu time spent up to now is 54.9 secs Computing kpt #: 119 total cpu time spent up to now is 55.4 secs Computing kpt #: 120 total cpu time spent up to now is 55.8 secs Computing kpt #: 121 total cpu time spent up to now is 56.3 secs Computing kpt #: 122 total cpu time spent up to now is 56.7 secs Computing kpt #: 123 total cpu time spent up to now is 57.2 secs Computing kpt #: 124 total cpu time spent up to now is 57.6 secs Computing kpt #: 125 total cpu time spent up to now is 58.1 secs Computing kpt #: 126 total cpu time spent up to now is 58.5 secs Computing kpt #: 127 total cpu time spent up to now is 59.0 secs Computing kpt #: 128 total cpu time spent up to now is 59.5 secs Computing kpt #: 129 total cpu time spent up to now is 59.9 secs Computing kpt #: 130 total cpu time spent up to now is 60.4 secs Computing kpt #: 131 total cpu time spent up to now is 60.8 secs Computing kpt #: 132 total cpu time spent up to now is 61.3 secs Computing kpt #: 133 total cpu time spent up to now is 61.7 secs Computing kpt #: 134 total cpu time spent up to now is 62.2 secs Computing kpt #: 135 total cpu time spent up to now is 62.6 secs Computing kpt #: 136 total cpu time spent up to now is 63.0 secs Computing kpt #: 137 total cpu time spent up to now is 63.5 secs Computing kpt #: 138 total cpu time spent up to now is 63.9 secs Computing kpt #: 139 total cpu time spent up to now is 64.3 secs Computing kpt #: 140 total cpu time spent up to now is 64.8 secs Computing kpt #: 141 total cpu time spent up to now is 65.2 secs Computing kpt #: 142 total cpu time spent up to now is 65.6 secs Computing kpt #: 143 total cpu time spent up to now is 66.1 secs Computing kpt #: 144 total cpu time spent up to now is 66.5 secs Computing kpt #: 145 total cpu time spent up to now is 67.0 secs Computing kpt #: 146 total cpu time spent up to now is 67.4 secs Computing kpt #: 147 total cpu time spent up to now is 67.8 secs Computing kpt #: 148 total cpu time spent up to now is 68.2 secs Computing kpt #: 149 total cpu time spent up to now is 68.7 secs Computing kpt #: 150 total cpu time spent up to now is 69.1 secs Computing kpt #: 151 total cpu time spent up to now is 69.5 secs Computing kpt #: 152 total cpu time spent up to now is 70.0 secs Computing kpt #: 153 total cpu time spent up to now is 70.4 secs Computing kpt #: 154 total cpu time spent up to now is 70.8 secs Computing kpt #: 155 total cpu time spent up to now is 71.3 secs Computing kpt #: 156 total cpu time spent up to now is 71.7 secs Computing kpt #: 157 total cpu time spent up to now is 72.1 secs Computing kpt #: 158 total cpu time spent up to now is 72.6 secs Computing kpt #: 159 total cpu time spent up to now is 73.0 secs Computing kpt #: 160 total cpu time spent up to now is 73.5 secs Computing kpt #: 161 total cpu time spent up to now is 74.0 secs Computing kpt #: 162 total cpu time spent up to now is 74.4 secs Computing kpt #: 163 total cpu time spent up to now is 74.9 secs Computing kpt #: 164 total cpu time spent up to now is 75.3 secs Computing kpt #: 165 total cpu time spent up to now is 75.8 secs Computing kpt #: 166 total cpu time spent up to now is 76.2 secs Computing kpt #: 167 total cpu time spent up to now is 76.7 secs Computing kpt #: 168 total cpu time spent up to now is 77.1 secs Computing kpt #: 169 total cpu time spent up to now is 77.5 secs Computing kpt #: 170 total cpu time spent up to now is 77.9 secs Computing kpt #: 171 total cpu time spent up to now is 78.3 secs Computing kpt #: 172 total cpu time spent up to now is 78.7 secs Computing kpt #: 173 total cpu time spent up to now is 79.1 secs Computing kpt #: 174 total cpu time spent up to now is 79.5 secs Computing kpt #: 175 total cpu time spent up to now is 79.8 secs Computing kpt #: 176 total cpu time spent up to now is 80.2 secs Computing kpt #: 177 total cpu time spent up to now is 80.6 secs Computing kpt #: 178 total cpu time spent up to now is 80.9 secs Computing kpt #: 179 total cpu time spent up to now is 81.3 secs Computing kpt #: 180 total cpu time spent up to now is 81.7 secs Computing kpt #: 181 total cpu time spent up to now is 82.0 secs Computing kpt #: 182 total cpu time spent up to now is 82.4 secs Computing kpt #: 183 total cpu time spent up to now is 82.7 secs Computing kpt #: 184 total cpu time spent up to now is 83.1 secs Computing kpt #: 185 total cpu time spent up to now is 83.5 secs Computing kpt #: 186 total cpu time spent up to now is 83.8 secs Computing kpt #: 187 total cpu time spent up to now is 84.2 secs Computing kpt #: 188 total cpu time spent up to now is 84.5 secs Computing kpt #: 189 total cpu time spent up to now is 84.9 secs Computing kpt #: 190 total cpu time spent up to now is 85.3 secs Computing kpt #: 191 total cpu time spent up to now is 85.6 secs Computing kpt #: 192 total cpu time spent up to now is 85.9 secs Computing kpt #: 193 total cpu time spent up to now is 86.3 secs Computing kpt #: 194 total cpu time spent up to now is 86.6 secs Computing kpt #: 195 total cpu time spent up to now is 87.0 secs Computing kpt #: 196 total cpu time spent up to now is 87.3 secs Computing kpt #: 197 total cpu time spent up to now is 87.6 secs Computing kpt #: 198 total cpu time spent up to now is 88.0 secs Computing kpt #: 199 total cpu time spent up to now is 88.3 secs Computing kpt #: 200 total cpu time spent up to now is 88.7 secs Computing kpt #: 201 total cpu time spent up to now is 89.0 secs Computing kpt #: 202 total cpu time spent up to now is 89.4 secs Computing kpt #: 203 total cpu time spent up to now is 89.7 secs Computing kpt #: 204 total cpu time spent up to now is 90.1 secs Computing kpt #: 205 total cpu time spent up to now is 90.4 secs Computing kpt #: 206 total cpu time spent up to now is 90.8 secs Computing kpt #: 207 total cpu time spent up to now is 91.2 secs Computing kpt #: 208 total cpu time spent up to now is 91.6 secs Computing kpt #: 209 total cpu time spent up to now is 91.9 secs Computing kpt #: 210 total cpu time spent up to now is 92.3 secs Computing kpt #: 211 total cpu time spent up to now is 92.7 secs Computing kpt #: 212 total cpu time spent up to now is 93.1 secs Computing kpt #: 213 total cpu time spent up to now is 93.5 secs Computing kpt #: 214 total cpu time spent up to now is 93.9 secs Computing kpt #: 215 total cpu time spent up to now is 94.3 secs Computing kpt #: 216 total cpu time spent up to now is 94.7 secs Computing kpt #: 217 total cpu time spent up to now is 95.1 secs Computing kpt #: 218 total cpu time spent up to now is 95.6 secs Computing kpt #: 219 total cpu time spent up to now is 96.0 secs Computing kpt #: 220 total cpu time spent up to now is 96.5 secs Computing kpt #: 221 total cpu time spent up to now is 97.0 secs Computing kpt #: 222 total cpu time spent up to now is 97.5 secs Computing kpt #: 223 total cpu time spent up to now is 98.0 secs Computing kpt #: 224 total cpu time spent up to now is 98.5 secs Computing kpt #: 225 total cpu time spent up to now is 99.0 secs Computing kpt #: 226 total cpu time spent up to now is 99.4 secs Computing kpt #: 227 total cpu time spent up to now is 99.9 secs Computing kpt #: 228 total cpu time spent up to now is 100.3 secs Computing kpt #: 229 total cpu time spent up to now is 100.7 secs Computing kpt #: 230 total cpu time spent up to now is 101.2 secs Computing kpt #: 231 total cpu time spent up to now is 101.6 secs Computing kpt #: 232 total cpu time spent up to now is 102.0 secs Computing kpt #: 233 total cpu time spent up to now is 102.4 secs Computing kpt #: 234 total cpu time spent up to now is 102.9 secs Computing kpt #: 235 total cpu time spent up to now is 103.3 secs Computing kpt #: 236 total cpu time spent up to now is 103.7 secs Computing kpt #: 237 total cpu time spent up to now is 104.2 secs Computing kpt #: 238 total cpu time spent up to now is 104.6 secs Computing kpt #: 239 total cpu time spent up to now is 105.0 secs Computing kpt #: 240 total cpu time spent up to now is 105.5 secs Computing kpt #: 241 total cpu time spent up to now is 105.9 secs Computing kpt #: 242 total cpu time spent up to now is 106.3 secs Computing kpt #: 243 total cpu time spent up to now is 106.8 secs Computing kpt #: 244 total cpu time spent up to now is 107.2 secs Computing kpt #: 245 total cpu time spent up to now is 107.7 secs Computing kpt #: 246 total cpu time spent up to now is 108.1 secs Computing kpt #: 247 total cpu time spent up to now is 108.5 secs Computing kpt #: 248 total cpu time spent up to now is 109.0 secs Computing kpt #: 249 total cpu time spent up to now is 109.4 secs Computing kpt #: 250 total cpu time spent up to now is 109.8 secs Computing kpt #: 251 total cpu time spent up to now is 110.3 secs Computing kpt #: 252 total cpu time spent up to now is 110.7 secs Computing kpt #: 253 total cpu time spent up to now is 111.1 secs Computing kpt #: 254 total cpu time spent up to now is 111.6 secs Computing kpt #: 255 total cpu time spent up to now is 112.0 secs Computing kpt #: 256 total cpu time spent up to now is 112.4 secs Computing kpt #: 257 total cpu time spent up to now is 112.9 secs Computing kpt #: 258 total cpu time spent up to now is 113.3 secs Computing kpt #: 259 total cpu time spent up to now is 113.7 secs Computing kpt #: 260 total cpu time spent up to now is 114.1 secs Computing kpt #: 261 total cpu time spent up to now is 114.6 secs Computing kpt #: 262 total cpu time spent up to now is 115.0 secs Computing kpt #: 263 total cpu time spent up to now is 115.4 secs Computing kpt #: 264 total cpu time spent up to now is 115.9 secs Computing kpt #: 265 total cpu time spent up to now is 116.3 secs Computing kpt #: 266 total cpu time spent up to now is 116.8 secs Computing kpt #: 267 total cpu time spent up to now is 117.2 secs Computing kpt #: 268 total cpu time spent up to now is 117.6 secs Computing kpt #: 269 total cpu time spent up to now is 118.1 secs Computing kpt #: 270 total cpu time spent up to now is 118.5 secs Computing kpt #: 271 total cpu time spent up to now is 118.9 secs Computing kpt #: 272 total cpu time spent up to now is 119.4 secs Computing kpt #: 273 total cpu time spent up to now is 119.8 secs Computing kpt #: 274 total cpu time spent up to now is 120.2 secs Computing kpt #: 275 total cpu time spent up to now is 120.6 secs Computing kpt #: 276 total cpu time spent up to now is 121.1 secs Computing kpt #: 277 total cpu time spent up to now is 121.4 secs Computing kpt #: 278 total cpu time spent up to now is 121.7 secs Computing kpt #: 279 total cpu time spent up to now is 122.1 secs Computing kpt #: 280 total cpu time spent up to now is 122.4 secs Computing kpt #: 281 total cpu time spent up to now is 122.8 secs Computing kpt #: 282 total cpu time spent up to now is 123.1 secs Computing kpt #: 283 total cpu time spent up to now is 123.5 secs Computing kpt #: 284 total cpu time spent up to now is 123.8 secs Computing kpt #: 285 total cpu time spent up to now is 124.1 secs Computing kpt #: 286 total cpu time spent up to now is 124.5 secs Computing kpt #: 287 total cpu time spent up to now is 124.9 secs Computing kpt #: 288 total cpu time spent up to now is 125.2 secs Computing kpt #: 289 total cpu time spent up to now is 125.6 secs Computing kpt #: 290 total cpu time spent up to now is 125.9 secs Computing kpt #: 291 total cpu time spent up to now is 126.3 secs Computing kpt #: 292 total cpu time spent up to now is 126.7 secs Computing kpt #: 293 total cpu time spent up to now is 127.1 secs Computing kpt #: 294 total cpu time spent up to now is 127.4 secs Computing kpt #: 295 total cpu time spent up to now is 127.8 secs Computing kpt #: 296 total cpu time spent up to now is 128.2 secs Computing kpt #: 297 total cpu time spent up to now is 128.6 secs Computing kpt #: 298 total cpu time spent up to now is 129.1 secs Computing kpt #: 299 total cpu time spent up to now is 129.6 secs Computing kpt #: 300 total cpu time spent up to now is 130.1 secs Computing kpt #: 301 total cpu time spent up to now is 130.5 secs Computing kpt #: 302 total cpu time spent up to now is 130.9 secs Computing kpt #: 303 total cpu time spent up to now is 131.4 secs Computing kpt #: 304 total cpu time spent up to now is 131.8 secs Computing kpt #: 305 total cpu time spent up to now is 132.3 secs Computing kpt #: 306 total cpu time spent up to now is 132.7 secs Computing kpt #: 307 total cpu time spent up to now is 133.1 secs Computing kpt #: 308 total cpu time spent up to now is 133.6 secs Computing kpt #: 309 total cpu time spent up to now is 134.0 secs Computing kpt #: 310 total cpu time spent up to now is 134.5 secs Computing kpt #: 311 total cpu time spent up to now is 135.0 secs Computing kpt #: 312 total cpu time spent up to now is 135.5 secs Computing kpt #: 313 total cpu time spent up to now is 136.0 secs Computing kpt #: 314 total cpu time spent up to now is 136.5 secs Computing kpt #: 315 total cpu time spent up to now is 137.0 secs Computing kpt #: 316 total cpu time spent up to now is 137.5 secs Computing kpt #: 317 total cpu time spent up to now is 138.0 secs Computing kpt #: 318 total cpu time spent up to now is 138.5 secs Computing kpt #: 319 total cpu time spent up to now is 139.0 secs Computing kpt #: 320 total cpu time spent up to now is 139.5 secs Computing kpt #: 321 total cpu time spent up to now is 140.0 secs Computing kpt #: 322 total cpu time spent up to now is 140.5 secs Computing kpt #: 323 total cpu time spent up to now is 141.0 secs Computing kpt #: 324 total cpu time spent up to now is 141.5 secs ethr = 2.27E-08, avg # of iterations = 18.4 total cpu time spent up to now is 141.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): -26.5724 -26.5724 -9.4010 -9.4010 -8.3336 -8.3336 -8.1804 -8.1804 -3.1209 -3.1209 -1.7848 -1.7848 1.0141 1.0141 1.0465 1.0465 1.1469 1.1469 1.1556 1.1556 1.4175 1.4175 1.4483 1.4483 1.5073 1.5073 1.6266 1.6266 1.7057 1.7057 1.7237 1.7237 3.3323 3.3323 7.0998 7.0998 7.1225 7.1225 8.2226 8.2226 8.3520 8.3520 8.3837 8.3837 9.2395 9.2395 9.7890 9.7890 10.5857 10.5857 11.3951 11.3951 k = 0.0111 0.0064-0.0000 ( 3559 PWs) bands (ev): -26.5723 -26.5723 -9.4011 -9.4011 -8.3336 -8.3336 -8.1807 -8.1807 -3.1197 -3.1197 -1.7845 -1.7845 1.0143 1.0143 1.0467 1.0467 1.1465 1.1465 1.1562 1.1562 1.4175 1.4175 1.4482 1.4482 1.5077 1.5077 1.6268 1.6268 1.7056 1.7056 1.7236 1.7236 3.3340 3.3340 7.0927 7.0927 7.1172 7.1172 8.2198 8.2198 8.3422 8.3422 8.3756 8.3756 9.2499 9.2499 9.7970 9.7970 10.5925 10.5925 11.4005 11.4005 k = 0.0222 0.0128-0.0000 ( 3547 PWs) bands (ev): -26.5723 -26.5723 -9.4013 -9.4013 -8.3337 -8.3337 -8.1815 -8.1815 -3.1164 -3.1164 -1.7836 -1.7836 1.0145 1.0145 1.0470 1.0470 1.1453 1.1453 1.1575 1.1575 1.4175 1.4175 1.4480 1.4480 1.5087 1.5087 1.6272 1.6272 1.7049 1.7049 1.7235 1.7235 3.3391 3.3391 7.0644 7.0644 7.1087 7.1087 8.2107 8.2107 8.3060 8.3060 8.3602 8.3602 9.2805 9.2805 9.8194 9.8194 10.6127 10.6127 11.4166 11.4166 k = 0.0333 0.0192-0.0000 ( 3543 PWs) bands (ev): -26.5722 -26.5722 -9.4017 -9.4017 -8.3339 -8.3339 -8.1828 -8.1828 -3.1107 -3.1107 -1.7823 -1.7823 1.0149 1.0149 1.0476 1.0476 1.1437 1.1437 1.1592 1.1592 1.4173 1.4173 1.4475 1.4475 1.5102 1.5102 1.6277 1.6277 1.7036 1.7036 1.7233 1.7233 3.3476 3.3476 7.0138 7.0138 7.1004 7.1004 8.1896 8.1896 8.2480 8.2480 8.3429 8.3429 9.3293 9.3293 9.8523 9.8523 10.6455 10.6455 11.4425 11.4425 k = 0.0444 0.0257-0.0000 ( 3539 PWs) bands (ev): -26.5720 -26.5720 -9.4023 -9.4023 -8.3341 -8.3341 -8.1847 -8.1847 -3.1029 -3.1029 -1.7803 -1.7803 1.0154 1.0154 1.0484 1.0484 1.1419 1.1419 1.1611 1.1611 1.4171 1.4171 1.4470 1.4470 1.5122 1.5122 1.6284 1.6284 1.7018 1.7018 1.7230 1.7230 3.3595 3.3595 6.9451 6.9451 7.0904 7.0904 8.1289 8.1289 8.2034 8.2034 8.3217 8.3217 9.3937 9.3937 9.8911 9.8911 10.6897 10.6897 11.4766 11.4766 k = 0.0556 0.0321-0.0000 ( 3545 PWs) bands (ev): -26.5718 -26.5718 -9.4029 -9.4029 -8.3344 -8.3344 -8.1870 -8.1870 -3.0928 -3.0928 -1.7779 -1.7779 1.0161 1.0161 1.0493 1.0493 1.1400 1.1400 1.1630 1.1630 1.4168 1.4168 1.4465 1.4465 1.5145 1.5145 1.6293 1.6293 1.6994 1.6994 1.7229 1.7229 3.3747 3.3747 6.8620 6.8620 7.0782 7.0782 8.0303 8.0303 8.1766 8.1766 8.2958 8.2958 9.4703 9.4703 9.9321 9.9321 10.7431 10.7431 11.5174 11.5174 k = 0.0667 0.0385-0.0000 ( 3551 PWs) bands (ev): -26.5715 -26.5715 -9.4038 -9.4038 -8.3347 -8.3347 -8.1898 -8.1898 -3.0806 -3.0806 -1.7749 -1.7749 1.0168 1.0168 1.0505 1.0505 1.1382 1.1382 1.1651 1.1651 1.4164 1.4164 1.4461 1.4461 1.5172 1.5172 1.6304 1.6304 1.6964 1.6964 1.7229 1.7229 3.3930 3.3930 6.7673 6.7673 7.0637 7.0637 7.9159 7.9159 8.1500 8.1500 8.2655 8.2655 9.5560 9.5560 9.9727 9.9727 10.8035 10.8035 11.5636 11.5636 k = 0.0778 0.0449-0.0000 ( 3561 PWs) bands (ev): -26.5712 -26.5712 -9.4048 -9.4048 -8.3351 -8.3351 -8.1930 -8.1930 -3.0662 -3.0662 -1.7715 -1.7715 1.0177 1.0177 1.0519 1.0519 1.1363 1.1363 1.1672 1.1672 1.4159 1.4159 1.4457 1.4457 1.5201 1.5201 1.6318 1.6318 1.6927 1.6927 1.7231 1.7231 3.4146 3.4146 6.6635 6.6635 7.0467 7.0467 7.7926 7.7926 8.1204 8.1204 8.2312 8.2312 9.6475 9.6475 10.0118 10.0118 10.8684 10.8684 11.6144 11.6144 k = 0.0889 0.0513-0.0000 ( 3563 PWs) bands (ev): -26.5709 -26.5709 -9.4060 -9.4060 -8.3356 -8.3356 -8.1966 -8.1966 -3.0497 -3.0497 -1.7675 -1.7675 1.0188 1.0188 1.0535 1.0535 1.1345 1.1345 1.1693 1.1693 1.4154 1.4154 1.4456 1.4456 1.5230 1.5230 1.6332 1.6332 1.6887 1.6887 1.7235 1.7235 3.4391 3.4391 6.5524 6.5524 7.0276 7.0276 7.6636 7.6636 8.0875 8.0875 8.1933 8.1933 9.7417 9.7417 10.0490 10.0490 10.9358 10.9358 11.6690 11.6690 k = 0.1000 0.0577-0.0000 ( 3565 PWs) bands (ev): -26.5705 -26.5705 -9.4073 -9.4073 -8.3362 -8.3362 -8.2006 -8.2006 -3.0311 -3.0311 -1.7631 -1.7631 1.0199 1.0199 1.0553 1.0553 1.1327 1.1327 1.1716 1.1716 1.4148 1.4148 1.4457 1.4457 1.5261 1.5261 1.6349 1.6349 1.6842 1.6842 1.7241 1.7241 3.4667 3.4667 6.4357 6.4357 7.0062 7.0062 7.5310 7.5310 8.0513 8.0513 8.1523 8.1523 9.8351 9.8351 10.0847 10.0847 11.0042 11.0042 11.7261 11.7261 k = 0.1111 0.0642-0.0000 ( 3561 PWs) bands (ev): -26.5701 -26.5701 -9.4087 -9.4087 -8.3369 -8.3369 -8.2049 -8.2049 -3.0105 -3.0105 -1.7582 -1.7582 1.0213 1.0213 1.0574 1.0574 1.1311 1.1311 1.1738 1.1738 1.4142 1.4142 1.4461 1.4461 1.5290 1.5290 1.6366 1.6366 1.6796 1.6796 1.7250 1.7250 3.4970 3.4970 6.3146 6.3146 6.9828 6.9828 7.3963 7.3963 8.0121 8.0121 8.1088 8.1088 9.9238 9.9238 10.1201 10.1201 11.0729 11.0729 11.7840 11.7840 k = 0.1222 0.0706-0.0000 ( 3567 PWs) bands (ev): -26.5697 -26.5697 -9.4103 -9.4103 -8.3377 -8.3377 -8.2095 -8.2095 -2.9879 -2.9879 -1.7530 -1.7530 1.0227 1.0227 1.0596 1.0596 1.1295 1.1295 1.1761 1.1761 1.4135 1.4135 1.4466 1.4466 1.5319 1.5319 1.6382 1.6382 1.6749 1.6749 1.7261 1.7261 3.5300 3.5300 6.1902 6.1902 6.9575 6.9575 7.2609 7.2609 7.9701 7.9701 8.0631 8.0631 10.0015 10.0015 10.1587 10.1587 11.1418 11.1418 11.8103 11.8103 k = 0.1333 0.0770-0.0000 ( 3569 PWs) bands (ev): -26.5692 -26.5692 -9.4121 -9.4121 -8.3387 -8.3387 -8.2143 -8.2143 -2.9634 -2.9634 -1.7473 -1.7473 1.0242 1.0242 1.0621 1.0621 1.1280 1.1280 1.1785 1.1785 1.4129 1.4129 1.4473 1.4473 1.5346 1.5346 1.6395 1.6395 1.6705 1.6705 1.7275 1.7275 3.5656 3.5656 6.0632 6.0632 6.9304 6.9304 7.1257 7.1257 7.9256 7.9256 8.0157 8.0157 10.0597 10.0597 10.2066 10.2066 11.2108 11.2108 11.7883 11.7883 k = 0.1444 0.0834-0.0000 ( 3573 PWs) bands (ev): -26.5687 -26.5687 -9.4140 -9.4140 -8.3398 -8.3398 -8.2192 -8.2192 -2.9371 -2.9371 -1.7413 -1.7413 1.0260 1.0260 1.0647 1.0647 1.1267 1.1267 1.1810 1.1810 1.4124 1.4124 1.4483 1.4483 1.5370 1.5370 1.6399 1.6399 1.6668 1.6668 1.7292 1.7292 3.6035 3.6035 5.9342 5.9342 6.9015 6.9015 6.9915 6.9915 7.8789 7.8789 7.9672 7.9672 10.0937 10.0937 10.2663 10.2663 11.2803 11.2803 11.7768 11.7768 k = 0.1556 0.0898-0.0000 ( 3579 PWs) bands (ev): -26.5681 -26.5681 -9.4160 -9.4160 -8.3411 -8.3411 -8.2243 -8.2243 -2.9089 -2.9089 -1.7350 -1.7350 1.0278 1.0278 1.0675 1.0675 1.1255 1.1255 1.1835 1.1835 1.4120 1.4120 1.4495 1.4495 1.5391 1.5391 1.6390 1.6390 1.6646 1.6646 1.7313 1.7313 3.6437 3.6437 5.8039 5.8039 6.8564 6.8564 6.8736 6.8736 7.8301 7.8301 7.9177 7.9177 10.1080 10.1080 10.3323 10.3323 11.3498 11.3498 11.7764 11.7764 k = 0.1667 0.0962-0.0000 ( 3570 PWs) bands (ev): -26.5676 -26.5676 -9.4181 -9.4181 -8.3426 -8.3426 -8.2293 -8.2293 -2.8791 -2.8791 -1.7284 -1.7284 1.0298 1.0298 1.0705 1.0705 1.1244 1.1244 1.1860 1.1860 1.4117 1.4117 1.4508 1.4508 1.5409 1.5409 1.6365 1.6365 1.6641 1.6641 1.7338 1.7338 3.6859 3.6859 5.6726 5.6726 6.7271 6.7271 6.8406 6.8406 7.7796 7.7796 7.8677 7.8677 10.1078 10.1078 10.3990 10.3990 11.4188 11.4188 11.7865 11.7865 k = 0.1778 0.1026-0.0000 ( 3580 PWs) bands (ev): -26.5670 -26.5670 -9.4204 -9.4204 -8.3443 -8.3443 -8.2343 -8.2343 -2.8476 -2.8476 -1.7216 -1.7216 1.0320 1.0320 1.0737 1.0737 1.1234 1.1234 1.1887 1.1887 1.4115 1.4115 1.4523 1.4523 1.5423 1.5423 1.6324 1.6324 1.6651 1.6651 1.7367 1.7367 3.7299 3.7299 5.5409 5.5409 6.5989 6.5989 6.8079 6.8079 7.7276 7.7276 7.8175 7.8175 10.0962 10.0962 10.4641 10.4641 11.4860 11.4860 11.8059 11.8059 k = 0.1889 0.1091-0.0000 ( 3574 PWs) bands (ev): -26.5663 -26.5663 -9.4229 -9.4229 -8.3463 -8.3463 -8.2392 -8.2392 -2.8145 -2.8145 -1.7147 -1.7147 1.0344 1.0344 1.0771 1.0771 1.1227 1.1227 1.1914 1.1914 1.4115 1.4115 1.4540 1.4540 1.5434 1.5434 1.6276 1.6276 1.6670 1.6670 1.7402 1.7402 3.7754 3.7754 5.4089 5.4089 6.4735 6.4735 6.7745 6.7745 7.6743 7.6743 7.7674 7.7674 10.0751 10.0751 10.5272 10.5272 11.5497 11.5497 11.8324 11.8324 k = 0.2000 0.1155-0.0000 ( 3570 PWs) bands (ev): -26.5657 -26.5657 -9.4254 -9.4254 -8.3485 -8.3485 -8.2439 -8.2439 -2.7800 -2.7800 -1.7076 -1.7076 1.0370 1.0370 1.0806 1.0806 1.1221 1.1221 1.1942 1.1942 1.4117 1.4117 1.4558 1.4558 1.5440 1.5440 1.6223 1.6223 1.6692 1.6692 1.7442 1.7442 3.8223 3.8223 5.2771 5.2771 6.3515 6.3515 6.7403 6.7403 7.6197 7.6197 7.7176 7.7176 10.0463 10.0463 10.5887 10.5887 11.6080 11.6080 11.8642 11.8642 k = 0.2111 0.1219-0.0000 ( 3564 PWs) bands (ev): -26.5651 -26.5651 -9.4280 -9.4280 -8.3511 -8.3511 -8.2484 -8.2484 -2.7442 -2.7442 -1.7004 -1.7004 1.0399 1.0399 1.0842 1.0842 1.1217 1.1217 1.1971 1.1971 1.4121 1.4121 1.4577 1.4577 1.5441 1.5441 1.6170 1.6170 1.6717 1.6717 1.7489 1.7489 3.8701 3.8701 5.1458 5.1458 6.2331 6.2331 6.7055 6.7055 7.5642 7.5642 7.6684 7.6684 10.0113 10.0113 10.6489 10.6489 11.6595 11.6595 11.8992 11.8992 k = 0.2222 0.1283-0.0000 ( 3572 PWs) bands (ev): -26.5644 -26.5644 -9.4307 -9.4307 -8.3539 -8.3539 -8.2526 -8.2526 -2.7071 -2.7071 -1.6932 -1.6932 1.0429 1.0429 1.0879 1.0879 1.1214 1.1214 1.2000 1.2000 1.4127 1.4127 1.4597 1.4597 1.5438 1.5438 1.6117 1.6117 1.6741 1.6741 1.7541 1.7541 3.9186 3.9186 5.0153 5.0153 6.1189 6.1189 6.6703 6.6703 7.5078 7.5078 7.6200 7.6200 9.9717 9.9717 10.7080 10.7080 11.7032 11.7032 11.9361 11.9361 k = 0.2333 0.1347-0.0000 ( 3572 PWs) bands (ev): -26.5637 -26.5637 -9.4335 -9.4335 -8.3571 -8.3571 -8.2564 -8.2564 -2.6688 -2.6688 -1.6861 -1.6861 1.0462 1.0462 1.0917 1.0917 1.1214 1.1214 1.2030 1.2030 1.4135 1.4135 1.4618 1.4618 1.5430 1.5430 1.6067 1.6067 1.6764 1.6764 1.7599 1.7599 3.9672 3.9672 4.8859 4.8859 6.0092 6.0092 6.6350 6.6350 7.4508 7.4508 7.5725 7.5725 9.9289 9.9289 10.7662 10.7662 11.7390 11.7390 11.9736 11.9736 k = 0.2444 0.1411-0.0000 ( 3572 PWs) bands (ev): -26.5631 -26.5631 -9.4364 -9.4364 -8.3606 -8.3606 -8.2599 -8.2599 -2.6296 -2.6296 -1.6790 -1.6790 1.0498 1.0498 1.0955 1.0955 1.1217 1.1217 1.2061 1.2061 1.4146 1.4146 1.4640 1.4640 1.5418 1.5418 1.6020 1.6020 1.6786 1.6786 1.7663 1.7663 4.0154 4.0154 4.7578 4.7578 5.9046 5.9046 6.5996 6.5996 7.3932 7.3932 7.5262 7.5262 9.8840 9.8840 10.8233 10.8233 11.7670 11.7670 12.0110 12.0110 k = 0.2556 0.1475-0.0000 ( 3570 PWs) bands (ev): -26.5624 -26.5624 -9.4394 -9.4394 -8.3644 -8.3644 -8.2630 -8.2630 -2.5894 -2.5894 -1.6722 -1.6722 1.0537 1.0537 1.0993 1.0993 1.1223 1.1223 1.2094 1.2094 1.4159 1.4159 1.4662 1.4662 1.5402 1.5402 1.5976 1.5976 1.6806 1.6806 1.7732 1.7732 4.0626 4.0626 4.6316 4.6316 5.8057 5.8057 6.5643 6.5643 7.3351 7.3351 7.4811 7.4811 9.8381 9.8381 10.8790 10.8790 11.7878 11.7878 12.0479 12.0479 k = 0.2667 0.1540-0.0000 ( 3570 PWs) bands (ev): -26.5617 -26.5617 -9.4424 -9.4424 -8.3684 -8.3684 -8.2657 -8.2657 -2.5485 -2.5485 -1.6656 -1.6656 1.0579 1.0579 1.1028 1.1028 1.1235 1.1235 1.2127 1.2127 1.4174 1.4174 1.4685 1.4685 1.5382 1.5382 1.5936 1.5936 1.6824 1.6824 1.7806 1.7806 4.1077 4.1077 4.5076 4.5076 5.7132 5.7132 6.5293 6.5293 7.2768 7.2768 7.4375 7.4375 9.7919 9.7919 10.9330 10.9330 11.8020 11.8020 12.0840 12.0840 k = 0.2778 0.1604-0.0000 ( 3564 PWs) bands (ev): -26.5611 -26.5611 -9.4454 -9.4454 -8.3726 -8.3726 -8.2681 -8.2681 -2.5070 -2.5070 -1.6593 -1.6593 1.0623 1.0623 1.1060 1.1060 1.1253 1.1253 1.2161 1.2161 1.4192 1.4192 1.4708 1.4708 1.5358 1.5358 1.5900 1.5900 1.6841 1.6841 1.7883 1.7883 4.1489 4.1489 4.3872 4.3872 5.6278 5.6278 6.4948 6.4948 7.2182 7.2182 7.3953 7.3953 9.7460 9.7460 10.9848 10.9848 11.8100 11.8100 12.1195 12.1195 k = 0.2889 0.1668-0.0000 ( 3558 PWs) bands (ev): -26.5604 -26.5604 -9.4484 -9.4484 -8.3770 -8.3770 -8.2701 -8.2701 -2.4650 -2.4650 -1.6534 -1.6534 1.0669 1.0669 1.1087 1.1087 1.1278 1.1278 1.2197 1.2197 1.4212 1.4212 1.4730 1.4730 1.5333 1.5333 1.5867 1.5867 1.6857 1.6857 1.7962 1.7962 4.1786 4.1786 4.2772 4.2772 5.5508 5.5508 6.4609 6.4609 7.1595 7.1595 7.3547 7.3547 9.7010 9.7010 11.0339 11.0339 11.8120 11.8120 12.1547 12.1547 k = 0.3000 0.1732-0.0000 ( 3554 PWs) bands (ev): -26.5597 -26.5597 -9.4514 -9.4514 -8.3816 -8.3816 -8.2717 -8.2717 -2.4226 -2.4226 -1.6480 -1.6480 1.0717 1.0717 1.1109 1.1109 1.1312 1.1312 1.2235 1.2235 1.4235 1.4235 1.4753 1.4753 1.5305 1.5305 1.5839 1.5839 1.6872 1.6872 1.8043 1.8043 4.1301 4.1301 4.2431 4.2431 5.4832 5.4832 6.4278 6.4278 7.1008 7.1008 7.3158 7.3158 9.6573 9.6573 11.0799 11.0799 11.8077 11.8077 12.1905 12.1905 k = 0.3111 0.1796-0.0000 ( 3566 PWs) bands (ev): -26.5591 -26.5591 -9.4544 -9.4544 -8.3861 -8.3861 -8.2731 -8.2731 -2.3801 -2.3801 -1.6432 -1.6432 1.0765 1.0765 1.1127 1.1127 1.1353 1.1353 1.2274 1.2274 1.4259 1.4259 1.4774 1.4774 1.5277 1.5277 1.5813 1.5813 1.6886 1.6886 1.8123 1.8123 4.0232 4.0232 4.2644 4.2644 5.4264 5.4264 6.3956 6.3956 7.0422 7.0422 7.2787 7.2787 9.6151 9.6151 11.1221 11.1221 11.7972 11.7972 12.2279 12.2279 k = 0.3222 0.1860-0.0000 ( 3564 PWs) bands (ev): -26.5585 -26.5585 -9.4573 -9.4573 -8.3907 -8.3907 -8.2743 -8.2743 -2.3376 -2.3376 -1.6390 -1.6390 1.0813 1.0813 1.1141 1.1141 1.1401 1.1401 1.2316 1.2316 1.4284 1.4284 1.4796 1.4796 1.5250 1.5250 1.5791 1.5791 1.6900 1.6900 1.8202 1.8202 3.9139 3.9139 4.2837 4.2837 5.3818 5.3818 6.3645 6.3645 6.9837 6.9837 7.2433 7.2433 9.5747 9.5747 11.1603 11.1603 11.7803 11.7803 12.2681 12.2681 k = 0.3333 0.1925-0.0000 ( 3560 PWs) bands (ev): -26.5579 -26.5579 -9.4602 -9.4602 -8.3953 -8.3953 -8.2752 -8.2752 -2.2953 -2.2953 -1.6355 -1.6355 1.0861 1.0861 1.1155 1.1155 1.1453 1.1453 1.2362 1.2362 1.4311 1.4311 1.4817 1.4817 1.5225 1.5225 1.5772 1.5772 1.6914 1.6914 1.8278 1.8278 3.8072 3.8072 4.2953 4.2953 5.3505 5.3505 6.3345 6.3345 6.9254 6.9254 7.2099 7.2099 9.5362 9.5362 11.1944 11.1944 11.7576 11.7576 12.3117 12.3117 k = 0.3444 0.1989-0.0000 ( 3564 PWs) bands (ev): -26.5573 -26.5573 -9.4630 -9.4630 -8.3997 -8.3997 -8.2759 -8.2759 -2.2534 -2.2534 -1.6329 -1.6329 1.0905 1.0905 1.1169 1.1169 1.1509 1.1509 1.2410 1.2410 1.4338 1.4338 1.4836 1.4836 1.5203 1.5203 1.5755 1.5755 1.6929 1.6929 1.8350 1.8350 3.7042 3.7042 4.2980 4.2980 5.3329 5.3329 6.3059 6.3059 6.8673 6.8673 7.1784 7.1784 9.4999 9.4999 11.2240 11.2240 11.7298 11.7298 12.3594 12.3594 k = 0.3556 0.2053-0.0000 ( 3560 PWs) bands (ev): -26.5568 -26.5568 -9.4658 -9.4658 -8.4040 -8.4040 -8.2764 -8.2764 -2.2120 -2.2120 -1.6311 -1.6311 1.0945 1.0945 1.1183 1.1183 1.1568 1.1568 1.2463 1.2463 1.4364 1.4364 1.4852 1.4852 1.5188 1.5188 1.5742 1.5742 1.6946 1.6946 1.8415 1.8415 3.6054 3.6054 4.2918 4.2918 5.3290 5.3290 6.2787 6.2787 6.8096 6.8096 7.1489 7.1489 9.4658 9.4658 11.2494 11.2494 11.6980 11.6980 12.4111 12.4111 k = 0.3667 0.2117-0.0000 ( 3556 PWs) bands (ev): -26.5563 -26.5563 -9.4684 -9.4684 -8.4082 -8.4082 -8.2768 -8.2768 -2.1714 -2.1714 -1.6304 -1.6304 1.0981 1.0981 1.1199 1.1199 1.1628 1.1628 1.2520 1.2520 1.4389 1.4389 1.4864 1.4864 1.5182 1.5182 1.5732 1.5732 1.6964 1.6964 1.8471 1.8471 3.5113 3.5113 4.2775 4.2775 5.3375 5.3375 6.2531 6.2531 6.7523 6.7523 7.1214 7.1214 9.4341 9.4341 11.2705 11.2705 11.6638 11.6638 12.4667 12.4667 k = 0.3778 0.2181-0.0000 ( 3560 PWs) bands (ev): -26.5558 -26.5558 -9.4708 -9.4708 -8.4121 -8.4121 -8.2771 -8.2771 -2.1317 -2.1317 -1.6307 -1.6307 1.1010 1.1010 1.1216 1.1216 1.1689 1.1689 1.2582 1.2582 1.4412 1.4412 1.4869 1.4869 1.5187 1.5187 1.5726 1.5726 1.6983 1.6983 1.8517 1.8517 3.4224 3.4224 4.2567 4.2567 5.3568 5.3568 6.2292 6.2292 6.6954 6.6954 7.0960 7.0960 9.4046 9.4046 11.2875 11.2875 11.6286 11.6286 12.5257 12.5257 k = 0.3889 0.2245-0.0000 ( 3550 PWs) bands (ev): -26.5553 -26.5553 -9.4732 -9.4732 -8.4157 -8.4157 -8.2773 -8.2773 -2.0932 -2.0932 -1.6321 -1.6321 1.1035 1.1035 1.1234 1.1234 1.1748 1.1748 1.2648 1.2648 1.4433 1.4433 1.4865 1.4865 1.5205 1.5205 1.5725 1.5725 1.7006 1.7006 1.8550 1.8550 3.3392 3.3392 4.2314 4.2314 5.3850 5.3850 6.2069 6.2069 6.6392 6.6392 7.0727 7.0727 9.3776 9.3776 11.3003 11.3003 11.5941 11.5941 12.5873 12.5873 k = 0.4000 0.2309-0.0000 ( 3550 PWs) bands (ev): -26.5549 -26.5549 -9.4753 -9.4753 -8.4191 -8.4191 -8.2774 -8.2774 -2.0561 -2.0561 -1.6346 -1.6346 1.1054 1.1054 1.1252 1.1252 1.1805 1.1805 1.2718 1.2718 1.4451 1.4451 1.4854 1.4854 1.5234 1.5234 1.5730 1.5730 1.7032 1.7032 1.8568 1.8568 3.2621 3.2621 4.2034 4.2034 5.4200 5.4200 6.1866 6.1866 6.5837 6.5837 7.0516 7.0516 9.3531 9.3531 11.3088 11.3088 11.5618 11.5618 12.6510 12.6510 k = 0.4111 0.2374-0.0000 ( 3556 PWs) bands (ev): -26.5545 -26.5545 -9.4773 -9.4773 -8.4222 -8.4222 -8.2775 -8.2775 -2.0207 -2.0207 -1.6384 -1.6384 1.1069 1.1069 1.1269 1.1269 1.1858 1.1858 1.2791 1.2791 1.4466 1.4466 1.4835 1.4835 1.5271 1.5271 1.5743 1.5743 1.7063 1.7063 1.8569 1.8569 3.1916 3.1916 4.1744 4.1744 5.4599 5.4599 6.1681 6.1681 6.5291 6.5291 7.0326 7.0326 9.3310 9.3310 11.3130 11.3130 11.5332 11.5332 12.7160 12.7160 k = 0.4222 0.2438-0.0000 ( 3556 PWs) bands (ev): -26.5542 -26.5542 -9.4791 -9.4791 -8.4250 -8.4250 -8.2775 -8.2775 -1.9871 -1.9871 -1.6433 -1.6433 1.1081 1.1081 1.1285 1.1285 1.1906 1.1906 1.2865 1.2865 1.4480 1.4480 1.4812 1.4812 1.5310 1.5310 1.5764 1.5764 1.7100 1.7100 1.8551 1.8551 3.1282 3.1282 4.1459 4.1459 5.5030 5.5030 6.1517 6.1517 6.4757 6.4757 7.0157 7.0157 9.3115 9.3115 11.3126 11.3126 11.5096 11.5096 12.7816 12.7816 k = 0.4333 0.2502-0.0000 ( 3554 PWs) bands (ev): -26.5539 -26.5539 -9.4806 -9.4806 -8.4274 -8.4274 -8.2775 -8.2775 -1.9557 -1.9557 -1.6493 -1.6493 1.1091 1.1091 1.1300 1.1300 1.1948 1.1948 1.2937 1.2937 1.4493 1.4493 1.4786 1.4786 1.5347 1.5347 1.5795 1.5795 1.7144 1.7144 1.8515 1.8515 3.0724 3.0724 4.1191 4.1191 5.5476 5.5476 6.1373 6.1373 6.4242 6.4242 7.0011 7.0011 9.2945 9.2945 11.3080 11.3080 11.4916 11.4916 12.8471 12.8471 k = 0.4444 0.2566-0.0000 ( 3558 PWs) bands (ev): -26.5536 -26.5536 -9.4820 -9.4820 -8.4295 -8.4295 -8.2775 -8.2775 -1.9269 -1.9269 -1.6562 -1.6562 1.1098 1.1098 1.1312 1.1312 1.1984 1.1984 1.3005 1.3005 1.4505 1.4505 1.4758 1.4758 1.5377 1.5377 1.5835 1.5835 1.7196 1.7196 1.8460 1.8460 3.0244 3.0244 4.0950 4.0950 5.5921 5.5921 6.1251 6.1251 6.3751 6.3751 6.9887 6.9887 9.2801 9.2801 11.3002 11.3002 11.4791 11.4791 12.9118 12.9118 k = 0.4556 0.2630-0.0000 ( 3554 PWs) bands (ev): -26.5534 -26.5534 -9.4831 -9.4831 -8.4312 -8.4312 -8.2775 -8.2775 -1.9012 -1.9012 -1.6638 -1.6638 1.1104 1.1104 1.1322 1.1322 1.2014 1.2014 1.3066 1.3066 1.4518 1.4518 1.4729 1.4729 1.5401 1.5401 1.5879 1.5879 1.7257 1.7257 1.8391 1.8391 2.9848 2.9848 4.0743 4.0743 5.6346 5.6346 6.1150 6.1150 6.3297 6.3297 6.9785 6.9785 9.2682 9.2682 11.2909 11.2909 11.4710 11.4710 12.9746 12.9746 k = 0.4667 0.2694-0.0000 ( 3550 PWs) bands (ev): -26.5533 -26.5533 -9.4840 -9.4840 -8.4326 -8.4326 -8.2774 -8.2774 -1.8792 -1.8792 -1.6714 -1.6714 1.1108 1.1108 1.1330 1.1330 1.2037 1.2037 1.3116 1.3116 1.4532 1.4532 1.4700 1.4700 1.5418 1.5418 1.5922 1.5922 1.7324 1.7324 1.8312 1.8312 2.9536 2.9536 4.0577 4.0577 5.6729 5.6729 6.1072 6.1072 6.2896 6.2896 6.9706 6.9706 9.2590 9.2590 11.2817 11.2817 11.4661 11.4661 13.0336 13.0336 k = 0.4778 0.2758-0.0000 ( 3550 PWs) bands (ev): -26.5532 -26.5532 -9.4846 -9.4846 -8.4336 -8.4336 -8.2774 -8.2774 -1.8621 -1.8621 -1.6783 -1.6783 1.1111 1.1111 1.1336 1.1336 1.2054 1.2054 1.3154 1.3154 1.4547 1.4547 1.4674 1.4674 1.5428 1.5428 1.5958 1.5958 1.7390 1.7390 1.8233 1.8233 2.9313 2.9313 4.0455 4.0455 5.7041 5.7041 6.1017 6.1017 6.2573 6.2573 6.9650 6.9650 9.2524 9.2524 11.2742 11.2742 11.4633 11.4633 13.0856 13.0856 k = 0.4889 0.2823-0.0000 ( 3548 PWs) bands (ev): -26.5531 -26.5531 -9.4850 -9.4850 -8.4341 -8.4341 -8.2774 -8.2774 -1.8509 -1.8509 -1.6832 -1.6832 1.1113 1.1113 1.1339 1.1339 1.2064 1.2064 1.3178 1.3178 1.4561 1.4561 1.4653 1.4653 1.5434 1.5434 1.5982 1.5982 1.7444 1.7444 1.8171 1.8171 2.9179 2.9179 4.0380 4.0380 5.7250 5.7250 6.0984 6.0984 6.2358 6.2358 6.9616 6.9616 9.2485 9.2485 11.2693 11.2693 11.4619 11.4619 13.1241 13.1241 k = 0.5000 0.2887-0.0000 ( 3562 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2774 -8.2774 -1.8470 -1.8470 -1.6850 -1.6850 1.1113 1.1113 1.1340 1.1340 1.2067 1.2067 1.3185 1.3185 1.4567 1.4567 1.4644 1.4644 1.5436 1.5436 1.5989 1.5989 1.7464 1.7464 1.8147 1.8147 2.9134 2.9134 4.0355 4.0355 5.7324 5.7324 6.0973 6.0973 6.2283 6.2283 6.9604 6.9604 9.2471 9.2471 11.2676 11.2676 11.4615 11.4615 13.1390 13.1390 k = 0.5000 0.2887-0.0000 ( 3562 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2774 -8.2774 -1.8470 -1.8470 -1.6850 -1.6850 1.1113 1.1113 1.1340 1.1340 1.2067 1.2067 1.3185 1.3185 1.4567 1.4567 1.4644 1.4644 1.5436 1.5436 1.5989 1.5989 1.7464 1.7464 1.8147 1.8147 2.9134 2.9134 4.0355 4.0355 5.7324 5.7324 6.0973 6.0973 6.2283 6.2283 6.9604 6.9604 9.2471 9.2471 11.2676 11.2676 11.4615 11.4615 13.1390 13.1390 k = 0.4936 0.2998-0.0000 ( 3550 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2776 -8.2776 -1.8466 -1.8466 -1.6847 -1.6847 1.1114 1.1114 1.1340 1.1340 1.2064 1.2064 1.3188 1.3188 1.4557 1.4557 1.4653 1.4653 1.5436 1.5436 1.5994 1.5994 1.7464 1.7464 1.8150 1.8150 2.9145 2.9145 4.0344 4.0344 5.7331 5.7331 6.0877 6.0877 6.2293 6.2293 6.9581 6.9581 9.2582 9.2582 11.2686 11.2686 11.4645 11.4645 13.1409 13.1409 k = 0.4872 0.3109-0.0000 ( 3550 PWs) bands (ev): -26.5530 -26.5530 -9.4851 -9.4851 -8.4340 -8.4340 -8.2782 -8.2782 -1.8454 -1.8454 -1.6839 -1.6839 1.1114 1.1114 1.1342 1.1342 1.2056 1.2056 1.3196 1.3196 1.4537 1.4537 1.4673 1.4673 1.5435 1.5435 1.6005 1.6005 1.7462 1.7462 1.8157 1.8157 2.9179 2.9179 4.0310 4.0310 5.7354 5.7354 6.0597 6.0597 6.2322 6.2322 6.9514 6.9514 9.2907 9.2907 11.2719 11.2719 11.4735 11.4735 13.1465 13.1465 k = 0.4808 0.3220-0.0000 ( 3550 PWs) bands (ev): -26.5530 -26.5530 -9.4851 -9.4851 -8.4337 -8.4337 -8.2791 -8.2791 -1.8434 -1.8434 -1.6826 -1.6826 1.1116 1.1116 1.1345 1.1345 1.2042 1.2042 1.3208 1.3208 1.4513 1.4513 1.4696 1.4696 1.5433 1.5433 1.6024 1.6024 1.7458 1.7458 1.8170 1.8170 2.9236 2.9236 4.0255 4.0255 5.7392 5.7392 6.0149 6.0149 6.2364 6.2364 6.9403 6.9403 9.3437 9.3437 11.2773 11.2773 11.4879 11.4879 13.1549 13.1549 k = 0.4744 0.3331-0.0000 ( 3550 PWs) bands (ev): -26.5529 -26.5529 -9.4852 -9.4852 -8.4332 -8.4332 -8.2805 -8.2805 -1.8406 -1.8406 -1.6807 -1.6807 1.1118 1.1118 1.1350 1.1350 1.2024 1.2024 1.3224 1.3224 1.4489 1.4489 1.4719 1.4719 1.5432 1.5432 1.6048 1.6048 1.7455 1.7455 1.8188 1.8188 2.9316 2.9316 4.0177 4.0177 5.7445 5.7445 5.9555 5.9555 6.2417 6.2417 6.9251 6.9251 9.4150 9.4150 11.2849 11.2849 11.5070 11.5070 13.1644 13.1644 k = 0.4679 0.3442-0.0000 ( 3558 PWs) bands (ev): -26.5529 -26.5529 -9.4852 -9.4852 -8.4326 -8.4326 -8.2822 -8.2822 -1.8370 -1.8370 -1.6783 -1.6783 1.1121 1.1121 1.1354 1.1354 1.2003 1.2003 1.3244 1.3244 1.4467 1.4467 1.4741 1.4741 1.5429 1.5429 1.6077 1.6077 1.7452 1.7452 1.8211 1.8211 2.9418 2.9418 4.0077 4.0077 5.7510 5.7510 5.8837 5.8837 6.2479 6.2479 6.9062 6.9062 9.5026 9.5026 11.2946 11.2946 11.5299 11.5299 13.1708 13.1708 k = 0.4615 0.3553-0.0000 ( 3550 PWs) bands (ev): -26.5528 -26.5528 -9.4853 -9.4853 -8.4318 -8.4318 -8.2842 -8.2842 -1.8327 -1.8327 -1.6755 -1.6755 1.1125 1.1125 1.1361 1.1361 1.1978 1.1978 1.3266 1.3266 1.4447 1.4447 1.4761 1.4761 1.5426 1.5426 1.6110 1.6110 1.7451 1.7451 1.8239 1.8239 2.9542 2.9542 3.9956 3.9956 5.7567 5.7567 5.8039 5.8039 6.2550 6.2550 6.8839 6.8839 9.6042 9.6042 11.3063 11.3063 11.5554 11.5554 13.1660 13.1660 k = 0.4551 0.3664-0.0000 ( 3552 PWs) bands (ev): -26.5527 -26.5527 -9.4854 -9.4854 -8.4310 -8.4310 -8.2866 -8.2866 -1.8276 -1.8276 -1.6723 -1.6723 1.1130 1.1130 1.1367 1.1367 1.1952 1.1952 1.3290 1.3290 1.4429 1.4429 1.4780 1.4780 1.5423 1.5423 1.6143 1.6143 1.7452 1.7452 1.8271 1.8271 2.9688 2.9688 3.9815 3.9815 5.7057 5.7057 5.7741 5.7741 6.2628 6.2628 6.8587 6.8587 9.7173 9.7173 11.3201 11.3201 11.5822 11.5822 13.1376 13.1376 k = 0.4487 0.3775-0.0000 ( 3564 PWs) bands (ev): -26.5526 -26.5526 -9.4854 -9.4854 -8.4300 -8.4300 -8.2892 -8.2892 -1.8219 -1.8219 -1.6688 -1.6688 1.1135 1.1135 1.1373 1.1373 1.1924 1.1924 1.3315 1.3315 1.4415 1.4415 1.4797 1.4797 1.5419 1.5419 1.6176 1.6176 1.7457 1.7457 1.8308 1.8308 2.9856 2.9856 3.9652 3.9652 5.6102 5.6102 5.7841 5.7841 6.2713 6.2713 6.8310 6.8310 9.8399 9.8399 11.3359 11.3359 11.6088 11.6088 13.0778 13.0778 k = 0.4423 0.3886-0.0000 ( 3568 PWs) bands (ev): -26.5525 -26.5525 -9.4855 -9.4855 -8.4290 -8.4290 -8.2920 -8.2920 -1.8155 -1.8155 -1.6650 -1.6650 1.1143 1.1143 1.1380 1.1380 1.1895 1.1895 1.3340 1.3340 1.4403 1.4403 1.4813 1.4813 1.5414 1.5414 1.6206 1.6206 1.7467 1.7467 1.8351 1.8351 3.0046 3.0046 3.9470 3.9470 5.5089 5.5089 5.7970 5.7970 6.2802 6.2802 6.8014 6.8014 9.9701 9.9701 11.3536 11.3536 11.6341 11.6341 12.9932 12.9932 k = 0.4359 0.3997-0.0000 ( 3564 PWs) bands (ev): -26.5524 -26.5524 -9.4857 -9.4857 -8.4278 -8.4278 -8.2951 -8.2951 -1.8085 -1.8085 -1.6610 -1.6610 1.1151 1.1151 1.1388 1.1388 1.1867 1.1867 1.3365 1.3365 1.4396 1.4396 1.4828 1.4828 1.5410 1.5410 1.6232 1.6232 1.7482 1.7482 1.8400 1.8400 3.0256 3.0256 3.9270 3.9270 5.4043 5.4043 5.8117 5.8117 6.2894 6.2894 6.7702 6.7702 10.1060 10.1060 11.3731 11.3731 11.6568 11.6568 12.8955 12.8955 k = 0.4295 0.4108-0.0000 ( 3568 PWs) bands (ev): -26.5522 -26.5522 -9.4858 -9.4858 -8.4266 -8.4266 -8.2983 -8.2983 -1.8009 -1.8009 -1.6570 -1.6570 1.1161 1.1161 1.1395 1.1395 1.1838 1.1838 1.3389 1.3389 1.4391 1.4391 1.4844 1.4844 1.5404 1.5404 1.6252 1.6252 1.7501 1.7501 1.8454 1.8454 3.0486 3.0486 3.9051 3.9051 5.2982 5.2982 5.8281 5.8281 6.2985 6.2985 6.7380 6.7380 10.2461 10.2461 11.3944 11.3944 11.6761 11.6761 12.7925 12.7925 k = 0.4231 0.4219-0.0000 ( 3560 PWs) bands (ev): -26.5521 -26.5521 -9.4859 -9.4859 -8.4254 -8.4254 -8.3017 -8.3017 -1.7928 -1.7928 -1.6528 -1.6528 1.1172 1.1172 1.1402 1.1402 1.1811 1.1811 1.3413 1.3413 1.4389 1.4389 1.4860 1.4860 1.5399 1.5399 1.6266 1.6266 1.7526 1.7526 1.8515 1.8515 3.0735 3.0735 3.8817 3.8817 5.1918 5.1918 5.8461 5.8461 6.3074 6.3074 6.7053 6.7053 10.3890 10.3890 11.4173 11.4173 11.6917 11.6917 12.6885 12.6885 k = 0.4167 0.4330-0.0000 ( 3572 PWs) bands (ev): -26.5519 -26.5519 -9.4861 -9.4861 -8.4241 -8.4241 -8.3051 -8.3051 -1.7842 -1.7842 -1.6488 -1.6488 1.1185 1.1185 1.1408 1.1408 1.1785 1.1785 1.3435 1.3435 1.4389 1.4389 1.4877 1.4877 1.5393 1.5393 1.6272 1.6272 1.7554 1.7554 1.8581 1.8581 3.1002 3.1002 3.8567 3.8567 5.0861 5.0861 5.8657 5.8657 6.3157 6.3157 6.6723 6.6723 10.5334 10.5334 11.4418 11.4418 11.7032 11.7032 12.5861 12.5861 k = 0.4103 0.4441-0.0000 ( 3556 PWs) bands (ev): -26.5518 -26.5518 -9.4863 -9.4863 -8.4228 -8.4228 -8.3085 -8.3085 -1.7752 -1.7752 -1.6449 -1.6449 1.1198 1.1198 1.1414 1.1414 1.1762 1.1762 1.3455 1.3455 1.4392 1.4392 1.4896 1.4896 1.5386 1.5386 1.6273 1.6273 1.7585 1.7585 1.8653 1.8653 3.1287 3.1287 3.8303 3.8303 4.9823 4.9823 5.8869 5.8869 6.3231 6.3231 6.6396 6.6396 10.6780 10.6780 11.4678 11.4678 11.7111 11.7111 12.4869 12.4869 k = 0.4038 0.4552-0.0000 ( 3556 PWs) bands (ev): -26.5517 -26.5517 -9.4865 -9.4865 -8.4215 -8.4215 -8.3119 -8.3119 -1.7659 -1.7659 -1.6413 -1.6413 1.1212 1.1212 1.1420 1.1420 1.1740 1.1740 1.3474 1.3474 1.4395 1.4395 1.4916 1.4916 1.5379 1.5379 1.6267 1.6267 1.7617 1.7617 1.8730 1.8730 3.1587 3.1587 3.8029 3.8029 4.8813 4.8813 5.9095 5.9095 6.3294 6.3294 6.6074 6.6074 10.8217 10.8217 11.4952 11.4952 11.7158 11.7158 12.3920 12.3920 k = 0.3974 0.4663-0.0000 ( 3560 PWs) bands (ev): -26.5515 -26.5515 -9.4867 -9.4867 -8.4202 -8.4202 -8.3152 -8.3152 -1.7563 -1.7563 -1.6381 -1.6381 1.1227 1.1227 1.1424 1.1424 1.1720 1.1720 1.3492 1.3492 1.4400 1.4400 1.4939 1.4939 1.5372 1.5372 1.6257 1.6257 1.7650 1.7650 1.8810 1.8810 3.1900 3.1900 3.7744 3.7744 4.7841 4.7841 5.9337 5.9337 6.3342 6.3342 6.5760 6.5760 10.9632 10.9632 11.5239 11.5239 11.7179 11.7179 12.3024 12.3024 k = 0.3910 0.4774-0.0000 ( 3558 PWs) bands (ev): -26.5514 -26.5514 -9.4869 -9.4869 -8.4190 -8.4190 -8.3183 -8.3183 -1.7464 -1.7464 -1.6355 -1.6355 1.1242 1.1242 1.1429 1.1429 1.1703 1.1703 1.3508 1.3508 1.4404 1.4404 1.4965 1.4965 1.5364 1.5364 1.6243 1.6243 1.7682 1.7682 1.8891 1.8891 3.2225 3.2225 3.7453 3.7453 4.6915 4.6915 5.9594 5.9594 6.3372 6.3372 6.5458 6.5458 11.1012 11.1012 11.5539 11.5539 11.7182 11.7182 12.2190 12.2190 k = 0.3846 0.4885-0.0000 ( 3558 PWs) bands (ev): -26.5512 -26.5512 -9.4871 -9.4871 -8.4179 -8.4179 -8.3213 -8.3213 -1.7364 -1.7364 -1.6334 -1.6334 1.1256 1.1256 1.1432 1.1432 1.1689 1.1689 1.3522 1.3522 1.4408 1.4408 1.4993 1.4993 1.5355 1.5355 1.6227 1.6227 1.7713 1.7713 1.8972 1.8972 3.2558 3.2558 3.7156 3.7156 4.6046 4.6046 5.9864 5.9864 6.3381 6.3381 6.5170 6.5170 11.2337 11.2337 11.5856 11.5856 11.7174 11.7174 12.1426 12.1426 k = 0.3782 0.4996-0.0000 ( 3562 PWs) bands (ev): -26.5511 -26.5511 -9.4874 -9.4874 -8.4169 -8.4169 -8.3240 -8.3240 -1.7264 -1.7264 -1.6321 -1.6321 1.1270 1.1270 1.1435 1.1435 1.1677 1.1677 1.3535 1.3535 1.4412 1.4412 1.5023 1.5023 1.5346 1.5346 1.6210 1.6210 1.7743 1.7743 1.9051 1.9051 3.2895 3.2895 3.6858 3.6858 4.5242 4.5242 6.0149 6.0149 6.3365 6.3365 6.4898 6.4898 11.3576 11.3576 11.6197 11.6197 11.7162 11.7162 12.0747 12.0747 k = 0.3718 0.5107-0.0000 ( 3574 PWs) bands (ev): -26.5510 -26.5510 -9.4876 -9.4876 -8.4161 -8.4161 -8.3264 -8.3264 -1.7163 -1.7163 -1.6317 -1.6317 1.1283 1.1283 1.1438 1.1438 1.1667 1.1667 1.3547 1.3547 1.4414 1.4414 1.5055 1.5055 1.5336 1.5336 1.6191 1.6191 1.7771 1.7771 1.9123 1.9123 3.3232 3.3232 3.6560 3.6560 4.4514 4.4514 6.0446 6.0446 6.3322 6.3322 6.4645 6.4645 11.4676 11.4676 11.6582 11.6582 11.7156 11.7156 12.0178 12.0178 k = 0.3654 0.5218-0.0000 ( 3574 PWs) bands (ev): -26.5509 -26.5509 -9.4878 -9.4878 -8.4153 -8.4153 -8.3285 -8.3285 -1.7064 -1.7064 -1.6323 -1.6323 1.1294 1.1294 1.1440 1.1440 1.1661 1.1661 1.3557 1.3557 1.4415 1.4415 1.5087 1.5087 1.5325 1.5325 1.6174 1.6174 1.7798 1.7798 1.9188 1.9188 3.3563 3.3563 3.6266 3.6266 4.3872 4.3872 6.0754 6.0754 6.3249 6.3249 6.4413 6.4413 11.5546 11.5546 11.6993 11.6993 11.7197 11.7197 11.9775 11.9775 k = 0.3590 0.5329-0.0000 ( 3578 PWs) bands (ev): -26.5508 -26.5508 -9.4880 -9.4880 -8.4147 -8.4147 -8.3303 -8.3303 -1.6966 -1.6966 -1.6340 -1.6340 1.1304 1.1304 1.1442 1.1442 1.1656 1.1656 1.3566 1.3566 1.4416 1.4416 1.5120 1.5120 1.5313 1.5313 1.6159 1.6159 1.7822 1.7822 1.9243 1.9243 3.3883 3.3883 3.5979 3.5979 4.3329 4.3329 6.1071 6.1071 6.3145 6.3145 6.4204 6.4204 11.6132 11.6132 11.7117 11.7117 11.7497 11.7497 11.9682 11.9682 k = 0.3526 0.5440-0.0000 ( 3574 PWs) bands (ev): -26.5508 -26.5508 -9.4882 -9.4882 -8.4143 -8.4143 -8.3316 -8.3316 -1.6871 -1.6871 -1.6368 -1.6368 1.1311 1.1311 1.1443 1.1443 1.1654 1.1654 1.3574 1.3574 1.4416 1.4416 1.5150 1.5150 1.5302 1.5302 1.6146 1.6146 1.7843 1.7843 1.9287 1.9287 3.4184 3.4184 3.5703 3.5703 4.2894 4.2894 6.1393 6.1393 6.3009 6.3009 6.4022 6.4022 11.6504 11.6504 11.7145 11.7145 11.7627 11.7627 12.0051 12.0051 k = 0.3462 0.5551-0.0000 ( 3568 PWs) bands (ev): -26.5507 -26.5507 -9.4883 -9.4883 -8.4141 -8.4141 -8.3326 -8.3326 -1.6783 -1.6783 -1.6407 -1.6407 1.1316 1.1316 1.1445 1.1445 1.1653 1.1653 1.3579 1.3579 1.4416 1.4416 1.5177 1.5177 1.5290 1.5290 1.6137 1.6137 1.7860 1.7860 1.9319 1.9319 3.4460 3.4460 3.5443 3.5443 4.2577 4.2577 6.1713 6.1713 6.2843 6.2843 6.3873 6.3873 11.6741 11.6741 11.7182 11.7182 11.7537 11.7537 12.0726 12.0726 k = 0.3397 0.5662-0.0000 ( 3564 PWs) bands (ev): -26.5507 -26.5507 -9.4884 -9.4884 -8.4139 -8.4139 -8.3331 -8.3331 -1.6708 -1.6708 -1.6451 -1.6451 1.1319 1.1319 1.1446 1.1446 1.1652 1.1652 1.3583 1.3583 1.4415 1.4415 1.5197 1.5197 1.5279 1.5279 1.6131 1.6131 1.7872 1.7872 1.9337 1.9337 3.4700 3.4700 3.5210 3.5210 4.2386 4.2386 6.2007 6.2007 6.2658 6.2658 6.3766 6.3766 11.6871 11.6871 11.7235 11.7235 11.7405 11.7405 12.1464 12.1464 k = 0.3333 0.5774-0.0000 ( 3540 PWs) bands (ev): -26.5506 -26.5506 -9.4884 -9.4884 -8.4139 -8.4139 -8.3333 -8.3333 -1.6671 -1.6671 -1.6477 -1.6477 1.1321 1.1321 1.1447 1.1447 1.1653 1.1653 1.3585 1.3585 1.4416 1.4416 1.5205 1.5205 1.5276 1.5276 1.6129 1.6129 1.7877 1.7877 1.9343 1.9343 3.4839 3.4839 3.5071 3.5071 4.2322 4.2322 6.2171 6.2171 6.2537 6.2537 6.3723 6.3723 11.6906 11.6906 11.7297 11.7297 11.7317 11.7317 12.2069 12.2069 k = 0.3333 0.5774-0.0000 ( 3540 PWs) bands (ev): -26.5506 -26.5506 -9.4884 -9.4884 -8.4139 -8.4139 -8.3333 -8.3333 -1.6671 -1.6671 -1.6477 -1.6477 1.1321 1.1321 1.1447 1.1447 1.1653 1.1653 1.3585 1.3585 1.4416 1.4416 1.5205 1.5205 1.5276 1.5276 1.6129 1.6129 1.7877 1.7877 1.9343 1.9343 3.4839 3.4839 3.5071 3.5071 4.2322 4.2322 6.2171 6.2171 6.2537 6.2537 6.3723 6.3723 11.6906 11.6906 11.7297 11.7297 11.7317 11.7317 12.2069 12.2069 k = 0.3269 0.5662-0.0000 ( 3556 PWs) bands (ev): -26.5507 -26.5507 -9.4884 -9.4884 -8.4139 -8.4139 -8.3331 -8.3331 -1.6712 -1.6712 -1.6447 -1.6447 1.1320 1.1320 1.1446 1.1446 1.1652 1.1652 1.3583 1.3583 1.4416 1.4416 1.5197 1.5197 1.5279 1.5279 1.6131 1.6131 1.7872 1.7872 1.9338 1.9338 3.4722 3.4722 3.5191 3.5191 4.2384 4.2384 6.2011 6.2011 6.2640 6.2640 6.3779 6.3779 11.6893 11.6893 11.7223 11.7223 11.7397 11.7397 12.1518 12.1518 k = 0.3205 0.5551-0.0000 ( 3556 PWs) bands (ev): -26.5507 -26.5507 -9.4883 -9.4883 -8.4140 -8.4140 -8.3326 -8.3326 -1.6808 -1.6808 -1.6386 -1.6386 1.1317 1.1317 1.1445 1.1445 1.1651 1.1651 1.3578 1.3578 1.4417 1.4417 1.5180 1.5180 1.5286 1.5286 1.6136 1.6136 1.7854 1.7854 1.9325 1.9325 3.4563 3.4563 3.5369 3.5369 4.2561 4.2561 6.1717 6.1717 6.2750 6.2750 6.3963 6.3963 11.6891 11.6891 11.7103 11.7103 11.7502 11.7502 12.0910 12.0910 k = 0.3141 0.5440-0.0000 ( 3560 PWs) bands (ev): -26.5508 -26.5508 -9.4881 -9.4881 -8.4140 -8.4140 -8.3318 -8.3318 -1.6934 -1.6934 -1.6320 -1.6320 1.1314 1.1314 1.1442 1.1442 1.1648 1.1648 1.3569 1.3569 1.4420 1.4420 1.5156 1.5156 1.5292 1.5292 1.6142 1.6142 1.7822 1.7822 1.9307 1.9307 3.4427 3.4427 3.5553 3.5553 4.2843 4.2843 6.1372 6.1372 6.2802 6.2802 6.4258 6.4258 11.6865 11.6865 11.6981 11.6981 11.7616 11.7616 12.0325 12.0325 k = 0.3077 0.5329-0.0000 ( 3560 PWs) bands (ev): -26.5509 -26.5509 -9.4878 -9.4878 -8.4140 -8.4140 -8.3308 -8.3308 -1.7083 -1.7083 -1.6255 -1.6255 1.1309 1.1309 1.1438 1.1438 1.1644 1.1644 1.3556 1.3556 1.4425 1.4425 1.5128 1.5128 1.5297 1.5297 1.6150 1.6150 1.7773 1.7773 1.9288 1.9288 3.4326 3.4326 3.5749 3.5749 4.3214 4.3214 6.0990 6.0990 6.2823 6.2823 6.4623 6.4623 11.6612 11.6612 11.7062 11.7062 11.7726 11.7726 11.9780 11.9780 k = 0.3013 0.5218-0.0000 ( 3560 PWs) bands (ev): -26.5510 -26.5510 -9.4874 -9.4874 -8.4139 -8.4139 -8.3295 -8.3295 -1.7255 -1.7255 -1.6196 -1.6196 1.1303 1.1303 1.1432 1.1432 1.1637 1.1637 1.3537 1.3537 1.4433 1.4433 1.5097 1.5097 1.5298 1.5298 1.6157 1.6157 1.7709 1.7709 1.9269 1.9269 3.4264 3.4264 3.5966 3.5966 4.3661 4.3661 6.0576 6.0576 6.2841 6.2841 6.5030 6.5030 11.6260 11.6260 11.7222 11.7222 11.7795 11.7795 11.9312 11.9312 k = 0.2949 0.5107-0.0000 ( 3560 PWs) bands (ev): -26.5511 -26.5511 -9.4868 -9.4868 -8.4137 -8.4137 -8.3281 -8.3281 -1.7448 -1.7448 -1.6142 -1.6142 1.1297 1.1297 1.1425 1.1425 1.1627 1.1627 1.3513 1.3513 1.4443 1.4443 1.5062 1.5062 1.5298 1.5298 1.6162 1.6162 1.7630 1.7630 1.9252 1.9252 3.4245 3.4245 3.6212 3.6212 4.4170 4.4170 6.0135 6.0135 6.2868 6.2868 6.5466 6.5466 11.5836 11.5836 11.7440 11.7440 11.7738 11.7738 11.9006 11.9006 k = 0.2885 0.4996-0.0000 ( 3548 PWs) bands (ev): -26.5513 -26.5513 -9.4862 -9.4862 -8.4133 -8.4133 -8.3265 -8.3265 -1.7662 -1.7662 -1.6095 -1.6095 1.1289 1.1289 1.1415 1.1415 1.1616 1.1616 1.3482 1.3482 1.4456 1.4456 1.5026 1.5026 1.5296 1.5296 1.6163 1.6163 1.7540 1.7540 1.9237 1.9237 3.4274 3.4274 3.6493 3.6493 4.4730 4.4730 5.9671 5.9671 6.2911 6.2911 6.5921 6.5921 11.5355 11.5355 11.7447 11.7447 11.7736 11.7736 11.8945 11.8945 k = 0.2821 0.4885-0.0000 ( 3544 PWs) bands (ev): -26.5515 -26.5515 -9.4854 -9.4854 -8.4127 -8.4127 -8.3248 -8.3248 -1.7897 -1.7897 -1.6054 -1.6054 1.1281 1.1281 1.1402 1.1402 1.1603 1.1603 1.3444 1.3444 1.4473 1.4473 1.4987 1.4987 1.5293 1.5293 1.6159 1.6159 1.7445 1.7445 1.9221 1.9221 3.4352 3.4352 3.6811 3.6811 4.5330 4.5330 5.9190 5.9190 6.2975 6.2975 6.6392 6.6392 11.4827 11.4827 11.7036 11.7036 11.8059 11.8059 11.9059 11.9059 k = 0.2756 0.4774-0.0000 ( 3542 PWs) bands (ev): -26.5518 -26.5518 -9.4845 -9.4845 -8.4119 -8.4119 -8.3230 -8.3230 -1.8153 -1.8153 -1.6021 -1.6021 1.1271 1.1271 1.1386 1.1386 1.1588 1.1588 1.3399 1.3399 1.4491 1.4491 1.4946 1.4946 1.5288 1.5288 1.6148 1.6148 1.7349 1.7349 1.9203 1.9203 3.4484 3.4484 3.7166 3.7166 4.5963 4.5963 5.8697 5.8697 6.3060 6.3060 6.6877 6.6877 11.4266 11.4266 11.6566 11.6566 11.8433 11.8433 11.9255 11.9255 k = 0.2692 0.4663-0.0000 ( 3538 PWs) bands (ev): -26.5520 -26.5520 -9.4834 -9.4834 -8.4110 -8.4110 -8.3210 -8.3210 -1.8430 -1.8430 -1.5995 -1.5995 1.1261 1.1261 1.1365 1.1365 1.1572 1.1572 1.3348 1.3348 1.4512 1.4512 1.4905 1.4905 1.5282 1.5282 1.6130 1.6130 1.7258 1.7258 1.9181 1.9181 3.4671 3.4671 3.7559 3.7559 4.6619 4.6619 5.8200 5.8200 6.3170 6.3170 6.7373 6.7373 11.3681 11.3681 11.6081 11.6081 11.8846 11.8846 11.9489 11.9489 k = 0.2628 0.4552-0.0000 ( 3538 PWs) bands (ev): -26.5523 -26.5523 -9.4822 -9.4822 -8.4098 -8.4098 -8.3191 -8.3191 -1.8726 -1.8726 -1.5976 -1.5976 1.1249 1.1249 1.1340 1.1340 1.1557 1.1557 1.3290 1.3290 1.4535 1.4535 1.4864 1.4864 1.5273 1.5273 1.6105 1.6105 1.7176 1.7176 1.9153 1.9153 3.4913 3.4913 3.7986 3.7986 4.7291 4.7291 5.7708 5.7708 6.3304 6.3304 6.7879 6.7879 11.3082 11.3082 11.5598 11.5598 11.9286 11.9286 11.9744 11.9744 k = 0.2564 0.4441-0.0000 ( 3528 PWs) bands (ev): -26.5527 -26.5527 -9.4808 -9.4808 -8.4083 -8.4083 -8.3170 -8.3170 -1.9040 -1.9040 -1.5965 -1.5965 1.1236 1.1236 1.1310 1.1310 1.1543 1.1543 1.3226 1.3226 1.4557 1.4557 1.4826 1.4826 1.5262 1.5262 1.6074 1.6074 1.7106 1.7106 1.9117 1.9117 3.5213 3.5213 3.8444 3.8444 4.7969 4.7969 5.7231 5.7231 6.3463 6.3463 6.8394 6.8394 11.2477 11.2477 11.5123 11.5123 11.9741 11.9741 12.0009 12.0009 k = 0.2500 0.4330-0.0000 ( 3524 PWs) bands (ev): -26.5531 -26.5531 -9.4793 -9.4793 -8.4066 -8.4066 -8.3149 -8.3149 -1.9372 -1.9372 -1.5961 -1.5961 1.1218 1.1218 1.1279 1.1279 1.1529 1.1529 1.3157 1.3157 1.4575 1.4575 1.4794 1.4794 1.5248 1.5248 1.6039 1.6039 1.7049 1.7049 1.9073 1.9073 3.5570 3.5570 3.8927 3.8927 4.8643 4.8643 5.6785 5.6785 6.3648 6.3648 6.8917 6.8917 11.1870 11.1870 11.4660 11.4660 12.0190 12.0190 12.0279 12.0279 k = 0.2436 0.4219-0.0000 ( 3524 PWs) bands (ev): -26.5535 -26.5535 -9.4776 -9.4776 -8.4047 -8.4047 -8.3128 -8.3128 -1.9721 -1.9721 -1.5965 -1.5965 1.1193 1.1193 1.1250 1.1250 1.1515 1.1515 1.3084 1.3084 1.4585 1.4585 1.4773 1.4773 1.5231 1.5231 1.6003 1.6003 1.7003 1.7003 1.9020 1.9020 3.5984 3.5984 3.9429 3.9429 4.9296 4.9296 5.6390 5.6390 6.3859 6.3859 6.9447 6.9447 11.1269 11.1269 11.4209 11.4209 12.0528 12.0528 12.0627 12.0627 k = 0.2372 0.4108-0.0000 ( 3538 PWs) bands (ev): -26.5539 -26.5539 -9.4757 -9.4757 -8.4026 -8.4026 -8.3106 -8.3106 -2.0085 -2.0085 -1.5976 -1.5976 1.1156 1.1156 1.1227 1.1227 1.1501 1.1501 1.3008 1.3008 1.4578 1.4578 1.4769 1.4769 1.5209 1.5209 1.5968 1.5968 1.6968 1.6968 1.8959 1.8959 3.6454 3.6454 3.9940 3.9940 4.9911 4.9911 5.6072 5.6072 6.4097 6.4097 6.9983 6.9983 11.0676 11.0676 11.3774 11.3774 12.0777 12.0777 12.0988 12.0988 k = 0.2308 0.3997-0.0000 ( 3546 PWs) bands (ev): -26.5544 -26.5544 -9.4737 -9.4737 -8.4002 -8.4002 -8.3083 -8.3083 -2.0463 -2.0463 -1.5994 -1.5994 1.1111 1.1111 1.1210 1.1210 1.1487 1.1487 1.2930 1.2930 1.4556 1.4556 1.4783 1.4783 1.5185 1.5185 1.5938 1.5938 1.6941 1.6941 1.8890 1.8890 3.6978 3.6978 4.0449 4.0449 5.0460 5.0460 5.5867 5.5867 6.4361 6.4361 7.0523 7.0523 11.0097 11.0097 11.3353 11.3353 12.1002 12.1002 12.1249 12.1249 k = 0.2244 0.3886-0.0000 ( 3542 PWs) bands (ev): -26.5549 -26.5549 -9.4716 -9.4716 -8.3976 -8.3976 -8.3060 -8.3060 -2.0853 -2.0853 -1.6018 -1.6018 1.1061 1.1061 1.1195 1.1195 1.1472 1.1472 1.2852 1.2852 1.4526 1.4526 1.4807 1.4807 1.5158 1.5158 1.5914 1.5914 1.6921 1.6921 1.8813 1.8813 3.7555 3.7555 4.0943 4.0943 5.0916 5.0916 5.5815 5.5815 6.4652 6.4652 7.1068 7.1068 10.9532 10.9532 11.2948 11.2948 12.1196 12.1196 12.1374 12.1374 k = 0.2179 0.3775-0.0000 ( 3544 PWs) bands (ev): -26.5554 -26.5554 -9.4693 -9.4693 -8.3948 -8.3948 -8.3037 -8.3037 -2.1253 -2.1253 -1.6049 -1.6049 1.1008 1.1008 1.1181 1.1181 1.1456 1.1456 1.2775 1.2775 1.4492 1.4492 1.4834 1.4834 1.5131 1.5131 1.5897 1.5897 1.6906 1.6906 1.8731 1.8731 3.8184 3.8184 4.1403 4.1403 5.1266 5.1266 5.5946 5.5946 6.4970 6.4970 7.1615 7.1615 10.8986 10.8986 11.2559 11.2559 12.1347 12.1347 12.1355 12.1355 k = 0.2115 0.3664-0.0000 ( 3564 PWs) bands (ev): -26.5559 -26.5559 -9.4669 -9.4669 -8.3919 -8.3919 -8.3013 -8.3013 -2.1663 -2.1663 -1.6086 -1.6086 1.0954 1.0954 1.1167 1.1167 1.1438 1.1438 1.2699 1.2699 1.4456 1.4456 1.4858 1.4858 1.5107 1.5107 1.5886 1.5886 1.6894 1.6894 1.8643 1.8643 3.8862 3.8862 4.1809 4.1809 5.1526 5.1526 5.6264 5.6264 6.5315 6.5315 7.2163 7.2163 10.8461 10.8461 11.2186 11.2186 12.1190 12.1190 12.1463 12.1463 k = 0.2051 0.3553-0.0000 ( 3564 PWs) bands (ev): -26.5565 -26.5565 -9.4644 -9.4644 -8.3888 -8.3888 -8.2988 -8.2988 -2.2080 -2.2080 -1.6128 -1.6128 1.0900 1.0900 1.1153 1.1153 1.1419 1.1419 1.2625 1.2625 1.4421 1.4421 1.4874 1.4874 1.5093 1.5093 1.5882 1.5882 1.6884 1.6884 1.8551 1.8551 3.9587 3.9587 4.2137 4.2137 5.1747 5.1747 5.6738 5.6738 6.5686 6.5686 7.2712 7.2712 10.7957 10.7957 11.1828 11.1828 12.0926 12.0926 12.1519 12.1519 k = 0.1987 0.3442-0.0000 ( 3556 PWs) bands (ev): -26.5571 -26.5571 -9.4618 -9.4618 -8.3856 -8.3856 -8.2962 -8.2962 -2.2503 -2.2503 -1.6176 -1.6176 1.0846 1.0846 1.1139 1.1139 1.1399 1.1399 1.2555 1.2555 1.4387 1.4387 1.4875 1.4875 1.5095 1.5095 1.5883 1.5883 1.6876 1.6876 1.8458 1.8458 4.0357 4.0357 4.2366 4.2366 5.1991 5.1991 5.7326 5.7326 6.6085 6.6085 7.3259 7.3259 10.7476 10.7476 11.1484 11.1484 12.0583 12.0583 12.1515 12.1515 k = 0.1923 0.3331-0.0000 ( 3548 PWs) bands (ev): -26.5577 -26.5577 -9.4591 -9.4591 -8.3823 -8.3823 -8.2934 -8.2934 -2.2929 -2.2929 -1.6229 -1.6229 1.0795 1.0795 1.1125 1.1125 1.1378 1.1378 1.2489 1.2489 1.4355 1.4355 1.4861 1.4861 1.5114 1.5114 1.5889 1.5889 1.6869 1.6869 1.8362 1.8362 4.1170 4.1170 4.2481 4.2481 5.2312 5.2312 5.7989 5.7989 6.6509 6.6509 7.3805 7.3805 10.7019 10.7019 11.1154 11.1154 12.0184 12.0184 12.1447 12.1447 k = 0.1859 0.3220-0.0000 ( 3548 PWs) bands (ev): -26.5583 -26.5583 -9.4563 -9.4563 -8.3789 -8.3789 -8.2906 -8.2906 -2.3358 -2.3358 -1.6286 -1.6286 1.0745 1.0745 1.1109 1.1109 1.1355 1.1355 1.2426 1.2426 1.4325 1.4325 1.4836 1.4836 1.5144 1.5144 1.5899 1.5899 1.6861 1.6861 1.8266 1.8266 4.2019 4.2019 4.2480 4.2480 5.2740 5.2740 5.8699 5.8699 6.6959 6.6959 7.4346 7.4346 10.6588 10.6588 11.0835 11.0835 11.9745 11.9745 12.1314 12.1314 k = 0.1795 0.3109-0.0000 ( 3552 PWs) bands (ev): -26.5590 -26.5590 -9.4535 -9.4535 -8.3755 -8.3755 -8.2875 -8.2875 -2.3788 -2.3788 -1.6347 -1.6347 1.0696 1.0696 1.1092 1.1092 1.1333 1.1333 1.2367 1.2367 1.4296 1.4296 1.4807 1.4807 1.5179 1.5179 1.5913 1.5913 1.6853 1.6853 1.8170 1.8170 4.2342 4.2342 4.2929 4.2929 5.3288 5.3288 5.9437 5.9437 6.7435 6.7435 7.4882 7.4882 10.6181 10.6181 11.0526 11.0526 11.9278 11.9278 12.1118 12.1118 k = 0.1731 0.2998-0.0000 ( 3552 PWs) bands (ev): -26.5596 -26.5596 -9.4506 -9.4506 -8.3721 -8.3721 -8.2843 -8.2843 -2.4217 -2.4217 -1.6412 -1.6412 1.0651 1.0651 1.1072 1.1072 1.1311 1.1311 1.2311 1.2311 1.4270 1.4270 1.4776 1.4776 1.5217 1.5217 1.5931 1.5931 1.6844 1.6844 1.8076 1.8076 4.2125 4.2125 4.3856 4.3856 5.3952 5.3952 6.0188 6.0188 6.7937 6.7937 7.5412 7.5412 10.5800 10.5800 11.0222 11.0222 11.8792 11.8792 12.0864 12.0864 k = 0.1667 0.2887-0.0000 ( 3540 PWs) bands (ev): -26.5603 -26.5603 -9.4477 -9.4477 -8.3687 -8.3687 -8.2809 -8.2809 -2.4644 -2.4644 -1.6480 -1.6480 1.0608 1.0608 1.1051 1.1051 1.1291 1.1291 1.2260 1.2260 1.4246 1.4246 1.4745 1.4745 1.5255 1.5255 1.5952 1.5952 1.6834 1.6834 1.7985 1.7985 4.1823 4.1823 4.4821 4.4821 5.4721 5.4721 6.0944 6.0944 6.8462 6.8462 7.5933 7.5933 10.5443 10.5443 10.9919 10.9919 11.8293 11.8293 12.0560 12.0560 k = 0.1603 0.2776-0.0000 ( 3552 PWs) bands (ev): -26.5610 -26.5610 -9.4448 -9.4448 -8.3655 -8.3655 -8.2773 -8.2773 -2.5066 -2.5066 -1.6550 -1.6550 1.0568 1.0568 1.1026 1.1026 1.1273 1.1273 1.2212 1.2212 1.4224 1.4224 1.4714 1.4714 1.5290 1.5290 1.5977 1.5977 1.6822 1.6822 1.7897 1.7897 4.1457 4.1457 4.5820 4.5820 5.5581 5.5581 6.1696 6.1696 6.9011 6.9011 7.6444 7.6444 10.5109 10.5109 10.9611 10.9611 11.7787 11.7787 12.0216 12.0216 k = 0.1538 0.2665-0.0000 ( 3556 PWs) bands (ev): -26.5617 -26.5617 -9.4419 -9.4419 -8.3623 -8.3623 -8.2734 -8.2734 -2.5484 -2.5484 -1.6622 -1.6622 1.0531 1.0531 1.0999 1.0999 1.1258 1.1258 1.2167 1.2167 1.4204 1.4204 1.4685 1.4685 1.5324 1.5324 1.6006 1.6006 1.6808 1.6808 1.7814 1.7814 4.1045 4.1045 4.6850 4.6850 5.6519 5.6519 6.2440 6.2440 6.9584 6.9584 7.6944 7.6944 10.4798 10.4798 10.9292 10.9292 11.7277 11.7277 11.9847 11.9847 k = 0.1474 0.2554-0.0000 ( 3562 PWs) bands (ev): -26.5624 -26.5624 -9.4390 -9.4390 -8.3593 -8.3593 -8.2693 -8.2693 -2.5895 -2.5895 -1.6696 -1.6696 1.0496 1.0496 1.0969 1.0969 1.1246 1.1246 1.2125 1.2125 1.4186 1.4186 1.4658 1.4658 1.5353 1.5353 1.6039 1.6039 1.6791 1.6791 1.7735 1.7735 4.0601 4.0601 4.7910 4.7910 5.7523 5.7523 6.3169 6.3169 7.0177 7.0177 7.7431 7.7431 10.4506 10.4506 10.8952 10.8952 11.6768 11.6768 11.9466 11.9466 k = 0.1410 0.2443-0.0000 ( 3558 PWs) bands (ev): -26.5630 -26.5630 -9.4361 -9.4361 -8.3565 -8.3565 -8.2650 -8.2650 -2.6297 -2.6297 -1.6771 -1.6771 1.0464 1.0464 1.0937 1.0937 1.1237 1.1237 1.2086 1.2086 1.4171 1.4171 1.4632 1.4632 1.5379 1.5379 1.6076 1.6076 1.6773 1.6773 1.7663 1.7663 4.0135 4.0135 4.8998 4.8998 5.8584 5.8584 6.3882 6.3882 7.0792 7.0792 7.7903 7.7903 10.4231 10.4231 10.8581 10.8581 11.6260 11.6260 11.9090 11.9090 k = 0.1346 0.2332-0.0000 ( 3563 PWs) bands (ev): -26.5637 -26.5637 -9.4333 -9.4333 -8.3539 -8.3539 -8.2605 -8.2605 -2.6691 -2.6691 -1.6846 -1.6846 1.0434 1.0434 1.0904 1.0904 1.1231 1.1231 1.2048 1.2048 1.4158 1.4158 1.4608 1.4608 1.5399 1.5399 1.6117 1.6117 1.6752 1.6752 1.7596 1.7596 3.9657 3.9657 5.0110 5.0110 5.9692 5.9692 6.4574 6.4574 7.1425 7.1425 7.8359 7.8359 10.3971 10.3971 10.8170 10.8170 11.5758 11.5758 11.8736 11.8736 k = 0.1282 0.2221-0.0000 ( 3571 PWs) bands (ev): -26.5644 -26.5644 -9.4305 -9.4305 -8.3514 -8.3514 -8.2557 -8.2557 -2.7074 -2.7074 -1.6921 -1.6921 1.0406 1.0406 1.0870 1.0870 1.1228 1.1228 1.2013 1.2013 1.4147 1.4147 1.4586 1.4586 1.5413 1.5413 1.6161 1.6161 1.6729 1.6729 1.7536 1.7536 3.9174 3.9174 5.1247 5.1247 6.0839 6.0839 6.5245 6.5245 7.2077 7.2077 7.8798 7.8798 10.3722 10.3722 10.7705 10.7705 11.5260 11.5260 11.8420 11.8420 k = 0.1218 0.2110-0.0000 ( 3565 PWs) bands (ev): -26.5651 -26.5651 -9.4278 -9.4278 -8.3491 -8.3491 -8.2507 -8.2507 -2.7445 -2.7445 -1.6996 -1.6996 1.0380 1.0380 1.0835 1.0835 1.1228 1.1228 1.1980 1.1980 1.4138 1.4138 1.4566 1.4566 1.5422 1.5422 1.6208 1.6208 1.6705 1.6705 1.7484 1.7484 3.8692 3.8692 5.2404 5.2404 6.2018 6.2018 6.5894 6.5894 7.2743 7.2743 7.9219 7.9219 10.3480 10.3480 10.7179 10.7179 11.4769 11.4769 11.8156 11.8156 k = 0.1154 0.1999-0.0000 ( 3563 PWs) bands (ev): -26.5657 -26.5657 -9.4252 -9.4252 -8.3471 -8.3471 -8.2456 -8.2456 -2.7803 -2.7803 -1.7070 -1.7070 1.0356 1.0356 1.0801 1.0801 1.1229 1.1229 1.1949 1.1949 1.4132 1.4132 1.4547 1.4547 1.5426 1.5426 1.6257 1.6257 1.6680 1.6680 1.7437 1.7437 3.8215 3.8215 5.3580 5.3580 6.3219 6.3219 6.6523 6.6523 7.3424 7.3424 7.9620 7.9620 10.3241 10.3241 10.6584 10.6584 11.4284 11.4284 11.7957 11.7957 k = 0.1090 0.1887-0.0000 ( 3563 PWs) bands (ev): -26.5663 -26.5663 -9.4227 -9.4227 -8.3452 -8.3452 -8.2404 -8.2404 -2.8148 -2.8148 -1.7143 -1.7143 1.0334 1.0334 1.0768 1.0768 1.1234 1.1234 1.1919 1.1919 1.4128 1.4128 1.4530 1.4530 1.5423 1.5423 1.6305 1.6305 1.6656 1.6656 1.7397 1.7397 3.7748 3.7748 5.4772 5.4772 6.4428 6.4428 6.7141 6.7141 7.4115 7.4115 8.0001 8.0001 10.3003 10.3003 10.5916 10.5916 11.3804 11.3804 11.7830 11.7830 k = 0.1026 0.1776-0.0000 ( 3565 PWs) bands (ev): -26.5670 -26.5670 -9.4204 -9.4204 -8.3436 -8.3436 -8.2352 -8.2352 -2.8479 -2.8479 -1.7214 -1.7214 1.0313 1.0313 1.0735 1.0735 1.1240 1.1240 1.1890 1.1890 1.4126 1.4126 1.4515 1.4515 1.5416 1.5416 1.6350 1.6350 1.6638 1.6638 1.7363 1.7363 3.7293 3.7293 5.5978 5.5978 6.5618 6.5618 6.7769 6.7769 7.4814 7.4814 8.0361 8.0361 10.2761 10.2761 10.5175 10.5175 11.3328 11.3328 11.7778 11.7778 k = 0.0962 0.1665-0.0000 ( 3577 PWs) bands (ev): -26.5676 -26.5676 -9.4181 -9.4181 -8.3421 -8.3421 -8.2299 -8.2299 -2.8793 -2.8793 -1.7283 -1.7283 1.0293 1.0293 1.0704 1.0704 1.1247 1.1247 1.1862 1.1862 1.4125 1.4125 1.4501 1.4501 1.5404 1.5404 1.6385 1.6385 1.6629 1.6629 1.7334 1.7334 3.6854 3.6854 5.7194 5.7194 6.6729 6.6729 6.8462 6.8462 7.5518 7.5518 8.0700 8.0700 10.2513 10.2513 10.4364 10.4364 11.2854 11.2854 11.7802 11.7802 k = 0.0897 0.1554-0.0000 ( 3573 PWs) bands (ev): -26.5681 -26.5681 -9.4159 -9.4159 -8.3408 -8.3408 -8.2246 -8.2246 -2.9092 -2.9092 -1.7349 -1.7349 1.0274 1.0274 1.0674 1.0674 1.1257 1.1257 1.1836 1.1836 1.4126 1.4126 1.4489 1.4489 1.5388 1.5388 1.6406 1.6406 1.6636 1.6636 1.7310 1.7310 3.6433 3.6433 5.8416 5.8416 6.7656 6.7656 6.9321 6.9321 7.6223 7.6223 8.1017 8.1017 10.2257 10.2257 10.3490 10.3490 11.2379 11.2379 11.7898 11.7898 k = 0.0833 0.1443-0.0000 ( 3589 PWs) bands (ev): -26.5687 -26.5687 -9.4139 -9.4139 -8.3396 -8.3396 -8.2195 -8.2195 -2.9373 -2.9373 -1.7413 -1.7413 1.0256 1.0256 1.0646 1.0646 1.1268 1.1268 1.1810 1.1810 1.4128 1.4128 1.4478 1.4478 1.5367 1.5367 1.6409 1.6409 1.6662 1.6662 1.7290 1.7290 3.6032 3.6032 5.9641 5.9641 6.8345 6.8345 7.0395 7.0395 7.6924 7.6924 8.1313 8.1313 10.1990 10.1990 10.2563 10.2563 11.1898 11.1898 11.8059 11.8059 k = 0.0769 0.1332-0.0000 ( 3577 PWs) bands (ev): -26.5692 -26.5692 -9.4120 -9.4120 -8.3386 -8.3386 -8.2144 -8.2144 -2.9636 -2.9636 -1.7473 -1.7473 1.0241 1.0241 1.0620 1.0620 1.1281 1.1281 1.1785 1.1785 1.4132 1.4132 1.4470 1.4470 1.5344 1.5344 1.6400 1.6400 1.6702 1.6702 1.7274 1.7274 3.5653 3.5653 6.0863 6.0863 6.8862 6.8862 7.1613 7.1613 7.7615 7.7615 8.1588 8.1588 10.1584 10.1584 10.1720 10.1720 11.1406 11.1406 11.8270 11.8270 k = 0.0705 0.1221-0.0000 ( 3569 PWs) bands (ev): -26.5697 -26.5697 -9.4103 -9.4103 -8.3377 -8.3377 -8.2096 -8.2096 -2.9881 -2.9881 -1.7530 -1.7530 1.0226 1.0226 1.0596 1.0596 1.1296 1.1296 1.1762 1.1762 1.4137 1.4137 1.4464 1.4464 1.5318 1.5318 1.6385 1.6385 1.6748 1.6748 1.7260 1.7260 3.5297 3.5297 6.2077 6.2077 6.9280 6.9280 7.2896 7.2896 7.8291 7.8291 8.1843 8.1843 10.0584 10.0584 10.1425 10.1425 11.0897 11.0897 11.8474 11.8474 k = 0.0641 0.1110-0.0000 ( 3569 PWs) bands (ev): -26.5701 -26.5701 -9.4087 -9.4087 -8.3369 -8.3369 -8.2050 -8.2050 -3.0107 -3.0107 -1.7583 -1.7583 1.0212 1.0212 1.0574 1.0574 1.1311 1.1311 1.1738 1.1738 1.4143 1.4143 1.4459 1.4459 1.5290 1.5290 1.6367 1.6367 1.6796 1.6796 1.7249 1.7249 3.4968 3.4968 6.3275 6.3275 6.9634 6.9634 7.4205 7.4205 7.8944 7.8944 8.2080 8.2080 9.9561 9.9561 10.1120 10.1120 11.0365 11.0365 11.8379 11.8379 k = 0.0577 0.0999-0.0000 ( 3569 PWs) bands (ev): -26.5705 -26.5705 -9.4072 -9.4072 -8.3362 -8.3362 -8.2006 -8.2006 -3.0313 -3.0313 -1.7631 -1.7631 1.0199 1.0199 1.0553 1.0553 1.1328 1.1328 1.1716 1.1716 1.4148 1.4148 1.4456 1.4456 1.5260 1.5260 1.6349 1.6349 1.6843 1.6843 1.7241 1.7241 3.4665 3.4665 6.4448 6.4448 6.9937 6.9937 7.5518 7.5518 7.9566 7.9566 8.2301 8.2301 9.8532 9.8532 10.0799 10.0799 10.9805 10.9805 11.7898 11.7898 k = 0.0513 0.0888-0.0000 ( 3565 PWs) bands (ev): -26.5709 -26.5709 -9.4059 -9.4059 -8.3356 -8.3356 -8.1966 -8.1966 -3.0498 -3.0498 -1.7675 -1.7675 1.0187 1.0187 1.0535 1.0535 1.1345 1.1345 1.1693 1.1693 1.4154 1.4154 1.4456 1.4456 1.5230 1.5230 1.6333 1.6333 1.6887 1.6887 1.7235 1.7235 3.4390 3.4390 6.5586 6.5586 7.0199 7.0199 7.6815 7.6815 8.0146 8.0146 8.2508 8.2508 9.7514 9.7514 10.0459 10.0459 10.9217 10.9217 11.7208 11.7208 k = 0.0449 0.0777-0.0000 ( 3565 PWs) bands (ev): -26.5712 -26.5712 -9.4048 -9.4048 -8.3351 -8.3351 -8.1930 -8.1930 -3.0663 -3.0663 -1.7715 -1.7715 1.0177 1.0177 1.0519 1.0519 1.1363 1.1363 1.1672 1.1672 1.4159 1.4159 1.4457 1.4457 1.5200 1.5200 1.6318 1.6318 1.6928 1.6928 1.7231 1.7231 3.4144 3.4144 6.6674 6.6674 7.0423 7.0423 7.8080 7.8080 8.0673 8.0673 8.2706 8.2706 9.6523 9.6523 10.0098 10.0098 10.8610 10.8610 11.6484 11.6484 k = 0.0385 0.0666-0.0000 ( 3563 PWs) bands (ev): -26.5715 -26.5715 -9.4038 -9.4038 -8.3347 -8.3347 -8.1898 -8.1898 -3.0807 -3.0807 -1.7749 -1.7749 1.0168 1.0168 1.0505 1.0505 1.1381 1.1381 1.1651 1.1651 1.4164 1.4164 1.4460 1.4460 1.5171 1.5171 1.6304 1.6304 1.6963 1.6963 1.7229 1.7229 3.3929 3.3929 6.7697 6.7697 7.0613 7.0613 7.9291 7.9291 8.1136 8.1136 8.2898 8.2898 9.5581 9.5581 9.9715 9.9715 10.8001 10.8001 11.5822 11.5822 k = 0.0321 0.0555-0.0000 ( 3547 PWs) bands (ev): -26.5718 -26.5718 -9.4029 -9.4029 -8.3344 -8.3344 -8.1870 -8.1870 -3.0929 -3.0929 -1.7779 -1.7779 1.0161 1.0161 1.0493 1.0493 1.1401 1.1401 1.1630 1.1630 1.4168 1.4168 1.4465 1.4465 1.5145 1.5145 1.6293 1.6293 1.6994 1.6994 1.7229 1.7229 3.3746 3.3746 6.8633 6.8633 7.0771 7.0771 8.0418 8.0418 8.1528 8.1528 8.3088 8.3088 9.4710 9.4710 9.9314 9.9314 10.7418 10.7418 11.5255 11.5255 k = 0.0256 0.0444-0.0000 ( 3543 PWs) bands (ev): -26.5720 -26.5720 -9.4023 -9.4023 -8.3341 -8.3341 -8.1847 -8.1847 -3.1029 -3.1029 -1.7803 -1.7803 1.0154 1.0154 1.0484 1.0484 1.1419 1.1419 1.1611 1.1611 1.4171 1.4171 1.4470 1.4470 1.5122 1.5122 1.6284 1.6284 1.7018 1.7018 1.7230 1.7230 3.3595 3.3595 6.9458 6.9458 7.0900 7.0900 8.1392 8.1392 8.1879 8.1879 8.3273 8.3273 9.3938 9.3938 9.8908 9.8908 10.6892 10.6892 11.4792 11.4792 k = 0.0192 0.0333-0.0000 ( 3551 PWs) bands (ev): -26.5722 -26.5722 -9.4017 -9.4017 -8.3339 -8.3339 -8.1828 -8.1828 -3.1108 -3.1108 -1.7823 -1.7823 1.0149 1.0149 1.0476 1.0476 1.1437 1.1437 1.1592 1.1592 1.4173 1.4173 1.4475 1.4475 1.5102 1.5102 1.6277 1.6277 1.7036 1.7036 1.7232 1.7232 3.3476 3.3476 7.0140 7.0140 7.1002 7.1002 8.1925 8.1925 8.2436 8.2436 8.3447 8.3447 9.3293 9.3293 9.8522 9.8522 10.6454 10.6454 11.4429 11.4429 k = 0.0128 0.0222-0.0000 ( 3551 PWs) bands (ev): -26.5723 -26.5723 -9.4013 -9.4013 -8.3337 -8.3337 -8.1815 -8.1815 -3.1164 -3.1164 -1.7836 -1.7836 1.0145 1.0145 1.0470 1.0470 1.1453 1.1453 1.1575 1.1575 1.4175 1.4175 1.4480 1.4480 1.5087 1.5087 1.6271 1.6271 1.7049 1.7049 1.7235 1.7235 3.3391 3.3391 7.0645 7.0645 7.1087 7.1087 8.2109 8.2109 8.3056 8.3056 8.3605 8.3605 9.2805 9.2805 9.8194 9.8194 10.6127 10.6127 11.4166 11.4166 k = 0.0064 0.0111-0.0000 ( 3563 PWs) bands (ev): -26.5723 -26.5723 -9.4011 -9.4011 -8.3336 -8.3336 -8.1807 -8.1807 -3.1197 -3.1197 -1.7845 -1.7845 1.0143 1.0143 1.0467 1.0467 1.1465 1.1465 1.1562 1.1562 1.4175 1.4175 1.4482 1.4482 1.5077 1.5077 1.6268 1.6268 1.7056 1.7056 1.7236 1.7236 3.3340 3.3340 7.0927 7.0927 7.1172 7.1172 8.2198 8.2198 8.3422 8.3422 8.3756 8.3756 9.2499 9.2499 9.7970 9.7970 10.5925 10.5925 11.4005 11.4005 k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): -26.5724 -26.5724 -9.4010 -9.4010 -8.3336 -8.3336 -8.1804 -8.1804 -3.1209 -3.1209 -1.7848 -1.7848 1.0141 1.0141 1.0465 1.0465 1.1469 1.1469 1.1556 1.1556 1.4175 1.4175 1.4483 1.4483 1.5073 1.5073 1.6266 1.6266 1.7057 1.7057 1.7237 1.7237 3.3323 3.3323 7.0998 7.0998 7.1225 7.1225 8.2226 8.2226 8.3520 8.3520 8.3837 8.3837 9.2395 9.2395 9.7890 9.7890 10.5857 10.5857 11.3951 11.3951 k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): -26.5724 -26.5724 -9.4010 -9.4010 -8.3336 -8.3336 -8.1804 -8.1804 -3.1209 -3.1209 -1.7848 -1.7848 1.0141 1.0141 1.0465 1.0465 1.1469 1.1469 1.1556 1.1556 1.4175 1.4175 1.4483 1.4483 1.5073 1.5073 1.6266 1.6266 1.7057 1.7057 1.7237 1.7237 3.3323 3.3323 7.0998 7.0998 7.1225 7.1225 8.2226 8.2226 8.3520 8.3520 8.3837 8.3837 9.2395 9.2395 9.7890 9.7890 10.5857 10.5857 11.3951 11.3951 k = 0.0000 0.0000 0.0126 ( 3557 PWs) bands (ev): -26.5724 -26.5724 -9.4010 -9.4010 -8.3336 -8.3336 -8.1804 -8.1804 -3.1198 -3.1198 -1.7863 -1.7863 1.0142 1.0142 1.0466 1.0466 1.1467 1.1467 1.1558 1.1558 1.4175 1.4175 1.4473 1.4473 1.5075 1.5075 1.6268 1.6268 1.7058 1.7058 1.7234 1.7234 3.3366 3.3366 7.1008 7.1008 7.1235 7.1235 8.2097 8.2097 8.3491 8.3491 8.3814 8.3814 9.2389 9.2389 9.8033 9.8033 10.5867 10.5867 11.3973 11.3973 k = 0.0000 0.0000 0.0251 ( 3557 PWs) bands (ev): -26.5724 -26.5724 -9.4011 -9.4011 -8.3337 -8.3337 -8.1804 -8.1804 -3.1166 -3.1166 -1.7909 -1.7909 1.0141 1.0141 1.0467 1.0467 1.1461 1.1461 1.1560 1.1560 1.4175 1.4175 1.4445 1.4445 1.5075 1.5075 1.6271 1.6271 1.7057 1.7057 1.7225 1.7225 3.3496 3.3496 7.1038 7.1038 7.1265 7.1265 8.1718 8.1718 8.3411 8.3411 8.3744 8.3744 9.2373 9.2373 9.8443 9.8443 10.5897 10.5897 11.4037 11.4037 k = 0.0000 0.0000 0.0377 ( 3539 PWs) bands (ev): -26.5724 -26.5724 -9.4011 -9.4011 -8.3338 -8.3338 -8.1804 -8.1804 -3.1113 -3.1113 -1.7986 -1.7986 1.0140 1.0140 1.0469 1.0469 1.1451 1.1451 1.1562 1.1562 1.4174 1.4174 1.4399 1.4399 1.5077 1.5077 1.6276 1.6276 1.7056 1.7056 1.7210 1.7210 3.3709 3.3709 7.1088 7.1088 7.1315 7.1315 8.1119 8.1119 8.3286 8.3286 8.3629 8.3629 9.2353 9.2353 9.9076 9.9076 10.5952 10.5952 11.4139 11.4139 k = 0.0000 0.0000 0.0502 ( 3539 PWs) bands (ev): -26.5724 -26.5724 -9.4011 -9.4011 -8.3339 -8.3339 -8.1804 -8.1804 -3.1039 -3.1039 -1.8092 -1.8092 1.0138 1.0138 1.0471 1.0471 1.1437 1.1437 1.1565 1.1565 1.4170 1.4170 1.4340 1.4340 1.5078 1.5078 1.6282 1.6282 1.7054 1.7054 1.7191 1.7191 3.4001 3.4001 7.1157 7.1157 7.1386 7.1386 8.0342 8.0342 8.3121 8.3121 8.3470 8.3470 9.2333 9.2333 9.9872 9.9872 10.6040 10.6040 11.4271 11.4271 k = 0.0000 0.0000 0.0628 ( 3545 PWs) bands (ev): -26.5724 -26.5724 -9.4012 -9.4012 -8.3341 -8.3341 -8.1804 -8.1804 -3.0944 -3.0944 -1.8226 -1.8226 1.0135 1.0135 1.0474 1.0474 1.1420 1.1420 1.1568 1.1568 1.4155 1.4155 1.4277 1.4277 1.5080 1.5080 1.6289 1.6289 1.7052 1.7052 1.7168 1.7168 3.4369 3.4369 7.1245 7.1245 7.1476 7.1476 7.9432 7.9432 8.2918 8.2918 8.3270 8.3270 9.2315 9.2315 10.0772 10.0772 10.6176 10.6176 11.4424 11.4424 k = 0.0000 0.0000 0.0753 ( 3551 PWs) bands (ev): -26.5724 -26.5724 -9.4013 -9.4013 -8.3343 -8.3343 -8.1804 -8.1804 -3.0830 -3.0830 -1.8388 -1.8388 1.0131 1.0131 1.0477 1.0477 1.1399 1.1399 1.1571 1.1571 1.4110 1.4110 1.4235 1.4235 1.5083 1.5083 1.6296 1.6296 1.7049 1.7049 1.7143 1.7143 3.4807 3.4807 7.1354 7.1354 7.1586 7.1586 7.8425 7.8425 8.2681 8.2681 8.3033 8.3033 9.2301 9.2301 10.1709 10.1709 10.6388 10.6388 11.4584 11.4584 k = 0.0000 0.0000 0.0879 ( 3557 PWs) bands (ev): -26.5724 -26.5724 -9.4014 -9.4014 -8.3345 -8.3345 -8.1804 -8.1804 -3.0697 -3.0697 -1.8575 -1.8575 1.0128 1.0128 1.0480 1.0480 1.1375 1.1375 1.1574 1.1574 1.4029 1.4029 1.4220 1.4220 1.5085 1.5085 1.6304 1.6304 1.7045 1.7045 1.7116 1.7116 3.5307 3.5307 7.1481 7.1481 7.1716 7.1716 7.7353 7.7353 8.2411 8.2411 8.2761 8.2761 9.2289 9.2289 10.2607 10.2607 10.6723 10.6723 11.4736 11.4736 k = 0.0000 0.0000 0.1004 ( 3563 PWs) bands (ev): -26.5724 -26.5724 -9.4015 -9.4015 -8.3348 -8.3348 -8.1804 -8.1804 -3.0546 -3.0546 -1.8785 -1.8785 1.0124 1.0124 1.0484 1.0484 1.1348 1.1348 1.1577 1.1577 1.3932 1.3932 1.4217 1.4217 1.5088 1.5088 1.6312 1.6312 1.7042 1.7042 1.7090 1.7090 3.5863 3.5863 7.1627 7.1627 7.1865 7.1865 7.6237 7.6237 8.2112 8.2112 8.2459 8.2459 9.2280 9.2280 10.3379 10.3379 10.7248 10.7248 11.4867 11.4867 k = 0.0000 0.0000 0.1130 ( 3557 PWs) bands (ev): -26.5724 -26.5724 -9.4016 -9.4016 -8.3351 -8.3351 -8.1804 -8.1804 -3.0378 -3.0378 -1.9017 -1.9017 1.0120 1.0120 1.0488 1.0488 1.1318 1.1318 1.1580 1.1580 1.3829 1.3829 1.4218 1.4218 1.5091 1.5091 1.6321 1.6321 1.7038 1.7038 1.7065 1.7065 3.6468 3.6468 7.1792 7.1792 7.2033 7.2033 7.5096 7.5096 8.1787 8.1787 8.2130 8.2130 9.2273 9.2273 10.3960 10.3960 10.8009 10.8009 11.4965 11.4965 k = 0.0000 0.0000 0.1255 ( 3557 PWs) bands (ev): -26.5724 -26.5724 -9.4017 -9.4017 -8.3353 -8.3353 -8.1804 -8.1804 -3.0194 -3.0194 -1.9267 -1.9267 1.0116 1.0116 1.0492 1.0492 1.1286 1.1286 1.1584 1.1584 1.3726 1.3726 1.4220 1.4220 1.5095 1.5095 1.6329 1.6329 1.7035 1.7035 1.7040 1.7040 3.7114 3.7114 7.1974 7.1974 7.2219 7.2219 7.3945 7.3945 8.1440 8.1440 8.1777 8.1777 9.2268 9.2268 10.4353 10.4353 10.8990 10.8990 11.5021 11.5021 k = 0.0000 0.0000 0.1381 ( 3569 PWs) bands (ev): -26.5724 -26.5724 -9.4018 -9.4018 -8.3356 -8.3356 -8.1804 -8.1804 -2.9996 -2.9996 -1.9532 -1.9532 1.0111 1.0111 1.0495 1.0495 1.1251 1.1251 1.1587 1.1587 1.3624 1.3624 1.4223 1.4223 1.5098 1.5098 1.6336 1.6336 1.7016 1.7016 1.7030 1.7030 3.7794 3.7794 7.2174 7.2174 7.2423 7.2423 7.2795 7.2795 8.1074 8.1074 8.1406 8.1406 9.2263 9.2263 10.4609 10.4609 11.0128 11.0128 11.5035 11.5035 k = 0.0000 0.0000 0.1506 ( 3569 PWs) bands (ev): -26.5724 -26.5724 -9.4019 -9.4019 -8.3359 -8.3359 -8.1804 -8.1804 -2.9787 -2.9787 -1.9810 -1.9810 1.0107 1.0107 1.0500 1.0500 1.1215 1.1215 1.1590 1.1590 1.3528 1.3528 1.4226 1.4226 1.5101 1.5101 1.6343 1.6343 1.6994 1.6994 1.7026 1.7026 3.8498 3.8498 7.1656 7.1656 7.2393 7.2393 7.2645 7.2645 8.0693 8.0693 8.1019 8.1019 9.2260 9.2260 10.4779 10.4779 11.1361 11.1361 11.5010 11.5010 k = 0.0000 0.0000 0.1632 ( 3569 PWs) bands (ev): -26.5724 -26.5724 -9.4020 -9.4020 -8.3362 -8.3362 -8.1804 -8.1804 -2.9568 -2.9568 -2.0097 -2.0097 1.0103 1.0103 1.0504 1.0504 1.1179 1.1179 1.1594 1.1594 1.3438 1.3438 1.4230 1.4230 1.5105 1.5105 1.6350 1.6350 1.6974 1.6974 1.7022 1.7022 3.9218 3.9218 7.0541 7.0541 7.2626 7.2626 7.2883 7.2883 8.0301 8.0301 8.0620 8.0620 9.2257 9.2257 10.4897 10.4897 11.2647 11.2647 11.4955 11.4955 k = 0.0000 0.0000 0.1757 ( 3569 PWs) bands (ev): -26.5724 -26.5724 -9.4021 -9.4021 -8.3365 -8.3365 -8.1804 -8.1804 -2.9342 -2.9342 -2.0389 -2.0389 1.0099 1.0099 1.0507 1.0507 1.1142 1.1142 1.1597 1.1597 1.3355 1.3355 1.4234 1.4234 1.5108 1.5108 1.6356 1.6356 1.6956 1.6956 1.7019 1.7019 3.9943 3.9943 6.9459 6.9459 7.2875 7.2875 7.3138 7.3138 7.9901 7.9901 8.0213 8.0213 9.2255 9.2255 10.4983 10.4983 11.3952 11.3952 11.4881 11.4881 k = 0.0000 0.0000 0.1883 ( 3557 PWs) bands (ev): -26.5724 -26.5724 -9.4022 -9.4022 -8.3368 -8.3368 -8.1804 -8.1804 -2.9113 -2.9113 -2.0680 -2.0680 1.0096 1.0096 1.0511 1.0511 1.1107 1.1107 1.1600 1.1600 1.3281 1.3281 1.4238 1.4238 1.5112 1.5112 1.6362 1.6362 1.6939 1.6939 1.7015 1.7015 4.0663 4.0663 6.8421 6.8421 7.3138 7.3138 7.3407 7.3407 7.9497 7.9497 7.9800 7.9800 9.2253 9.2253 10.5047 10.5047 11.4778 11.4778 11.5072 11.5072 k = 0.0000 0.0000 0.2008 ( 3568 PWs) bands (ev): -26.5724 -26.5724 -9.4023 -9.4023 -8.3370 -8.3370 -8.1804 -8.1804 -2.8885 -2.8885 -2.0966 -2.0966 1.0092 1.0092 1.0514 1.0514 1.1072 1.1072 1.1602 1.1602 1.3216 1.3216 1.4241 1.4241 1.5114 1.5114 1.6367 1.6367 1.6925 1.6925 1.7011 1.7011 4.1364 4.1364 6.7441 6.7441 7.3414 7.3414 7.3690 7.3690 7.9091 7.9091 7.9387 7.9387 9.2252 9.2252 10.5095 10.5095 11.4690 11.4690 11.4962 11.4962 k = 0.0000 0.0000 0.2134 ( 3562 PWs) bands (ev): -26.5724 -26.5724 -9.4024 -9.4024 -8.3372 -8.3372 -8.1804 -8.1804 -2.8663 -2.8663 -2.1240 -2.1240 1.0089 1.0089 1.0517 1.0517 1.1041 1.1041 1.1605 1.1605 1.3160 1.3160 1.4244 1.4244 1.5117 1.5117 1.6372 1.6372 1.6912 1.6912 1.7009 1.7009 4.2031 4.2031 6.6533 6.6533 7.3700 7.3700 7.3984 7.3984 7.8690 7.8690 7.8976 7.8976 9.2251 9.2251 10.5133 10.5133 11.4598 11.4598 11.4857 11.4857 k = 0.0000 0.0000 0.2259 ( 3550 PWs) bands (ev): -26.5724 -26.5724 -9.4025 -9.4025 -8.3374 -8.3374 -8.1804 -8.1804 -2.8454 -2.8454 -2.1495 -2.1495 1.0087 1.0087 1.0519 1.0519 1.1013 1.1013 1.1607 1.1607 1.3113 1.3113 1.4247 1.4247 1.5119 1.5119 1.6376 1.6376 1.6902 1.6902 1.7006 1.7006 4.2647 4.2647 6.5714 6.5714 7.3993 7.3993 7.4286 7.4286 7.8296 7.8296 7.8572 7.8572 9.2251 9.2251 10.5162 10.5162 11.4513 11.4513 11.4761 11.4761 k = 0.0000 0.0000 0.2385 ( 3550 PWs) bands (ev): -26.5724 -26.5724 -9.4025 -9.4025 -8.3376 -8.3376 -8.1804 -8.1804 -2.8265 -2.8265 -2.1722 -2.1722 1.0084 1.0084 1.0521 1.0521 1.0989 1.0989 1.1609 1.1609 1.3074 1.3074 1.4250 1.4250 1.5121 1.5121 1.6379 1.6379 1.6893 1.6893 1.7004 1.7004 4.3194 4.3194 6.5002 6.5002 7.4287 7.4287 7.4591 7.4591 7.7919 7.7919 7.8182 7.8182 9.2250 9.2250 10.5184 10.5184 11.4438 11.4438 11.4679 11.4679 k = 0.0000 0.0000 0.2510 ( 3562 PWs) bands (ev): -26.5724 -26.5724 -9.4026 -9.4026 -8.3377 -8.3377 -8.1804 -8.1804 -2.8105 -2.8105 -2.1914 -2.1914 1.0082 1.0082 1.0523 1.0523 1.0969 1.0969 1.1610 1.1610 1.3045 1.3045 1.4251 1.4251 1.5123 1.5123 1.6381 1.6381 1.6886 1.6886 1.7001 1.7001 4.3650 4.3650 6.4418 6.4418 7.4572 7.4572 7.4890 7.4890 7.7567 7.7567 7.7816 7.7816 9.2250 9.2250 10.5200 10.5200 11.4377 11.4377 11.4612 11.4612 k = 0.0000 0.0000 0.2636 ( 3562 PWs) bands (ev): -26.5724 -26.5724 -9.4026 -9.4026 -8.3378 -8.3378 -8.1804 -8.1804 -2.7981 -2.7981 -2.2059 -2.2059 1.0081 1.0081 1.0524 1.0524 1.0954 1.0954 1.1611 1.1611 1.3024 1.3024 1.4253 1.4253 1.5124 1.5124 1.6383 1.6383 1.6881 1.6881 1.7000 1.7000 4.3995 4.3995 6.3982 6.3982 7.4829 7.4829 7.5164 7.5164 7.7262 7.7262 7.7493 7.7493 9.2250 9.2250 10.5212 10.5212 11.4331 11.4331 11.4563 11.4563 k = 0.0000 0.0000 0.2761 ( 3568 PWs) bands (ev): -26.5724 -26.5724 -9.4026 -9.4026 -8.3379 -8.3379 -8.1804 -8.1804 -2.7904 -2.7904 -2.2151 -2.2151 1.0080 1.0080 1.0525 1.0525 1.0945 1.0945 1.1612 1.1612 1.3011 1.3011 1.4254 1.4254 1.5125 1.5125 1.6384 1.6384 1.6878 1.6878 1.6999 1.6999 4.4210 4.4210 6.3712 6.3712 7.5022 7.5022 7.5374 7.5374 7.7041 7.7041 7.7254 7.7254 9.2250 9.2250 10.5218 10.5218 11.4304 11.4304 11.4533 11.4533 k = 0.0000 0.0000 0.2887 ( 3568 PWs) bands (ev): -26.5724 -26.5724 -9.4027 -9.4027 -8.3379 -8.3379 -8.1804 -8.1804 -2.7877 -2.7877 -2.2182 -2.2182 1.0080 1.0080 1.0525 1.0525 1.0942 1.0942 1.1612 1.1612 1.3007 1.3007 1.4254 1.4254 1.5125 1.5125 1.6384 1.6384 1.6877 1.6877 1.6999 1.6999 4.4284 4.4284 6.3620 6.3620 7.5096 7.5096 7.5458 7.5458 7.6956 7.6956 7.7160 7.7160 9.2250 9.2250 10.5220 10.5220 11.4294 11.4294 11.4523 11.4523 k = 0.0000 0.0000 0.2887 ( 3568 PWs) bands (ev): -26.5724 -26.5724 -9.4027 -9.4027 -8.3379 -8.3379 -8.1804 -8.1804 -2.7877 -2.7877 -2.2182 -2.2182 1.0080 1.0080 1.0525 1.0525 1.0942 1.0942 1.1612 1.1612 1.3007 1.3007 1.4254 1.4254 1.5125 1.5125 1.6384 1.6384 1.6877 1.6877 1.6999 1.6999 4.4284 4.4284 6.3620 6.3620 7.5096 7.5096 7.5458 7.5458 7.6956 7.6956 7.7160 7.7160 9.2250 9.2250 10.5220 10.5220 11.4294 11.4294 11.4523 11.4523 k = 0.0111 0.0064 0.2887 ( 3568 PWs) bands (ev): -26.5723 -26.5723 -9.4027 -9.4027 -8.3379 -8.3379 -8.1807 -8.1807 -2.7870 -2.7870 -2.2173 -2.2173 1.0081 1.0081 1.0525 1.0525 1.0942 1.0942 1.1614 1.1614 1.3009 1.3009 1.4255 1.4255 1.5125 1.5125 1.6384 1.6384 1.6877 1.6877 1.6997 1.6997 4.4284 4.4284 6.3623 6.3623 7.4977 7.4977 7.5348 7.5348 7.6953 7.6953 7.7157 7.7157 9.2387 9.2387 10.5257 10.5257 11.4335 11.4335 11.4561 11.4561 k = 0.0222 0.0128 0.2887 ( 3564 PWs) bands (ev): -26.5723 -26.5723 -9.4030 -9.4030 -8.3380 -8.3380 -8.1815 -8.1815 -2.7848 -2.7848 -2.2146 -2.2146 1.0084 1.0084 1.0526 1.0526 1.0941 1.0941 1.1618 1.1618 1.3015 1.3015 1.4257 1.4257 1.5127 1.5127 1.6384 1.6384 1.6876 1.6876 1.6993 1.6993 4.4284 4.4284 6.3632 6.3632 7.4568 7.4568 7.5117 7.5117 7.6888 7.6888 7.7174 7.7174 9.2782 9.2782 10.5365 10.5365 11.4455 11.4455 11.4677 11.4677 k = 0.0333 0.0192 0.2887 ( 3556 PWs) bands (ev): -26.5722 -26.5722 -9.4033 -9.4033 -8.3381 -8.3381 -8.1828 -8.1828 -2.7812 -2.7812 -2.2102 -2.2102 1.0089 1.0089 1.0527 1.0527 1.0940 1.0940 1.1625 1.1625 1.3025 1.3025 1.4262 1.4262 1.5130 1.5130 1.6384 1.6384 1.6876 1.6876 1.6986 1.6986 4.4285 4.4285 6.3643 6.3643 7.3880 7.3880 7.4846 7.4846 7.6696 7.6696 7.7232 7.7232 9.3393 9.3393 10.5544 10.5544 11.4649 11.4649 11.4871 11.4871 k = 0.0444 0.0257 0.2887 ( 3552 PWs) bands (ev): -26.5720 -26.5720 -9.4038 -9.4038 -8.3383 -8.3383 -8.1846 -8.1846 -2.7762 -2.7762 -2.2040 -2.2040 1.0096 1.0096 1.0529 1.0529 1.0938 1.0938 1.1635 1.1635 1.3039 1.3039 1.4268 1.4268 1.5135 1.5135 1.6383 1.6383 1.6874 1.6874 1.6977 1.6977 4.4286 4.4286 6.3650 6.3650 7.3007 7.3007 7.4528 7.4528 7.6379 7.6379 7.7304 7.7304 9.4165 9.4165 10.5790 10.5790 11.4909 11.4909 11.5145 11.5145 k = 0.0556 0.0321 0.2887 ( 3556 PWs) bands (ev): -26.5718 -26.5718 -9.4045 -9.4045 -8.3385 -8.3385 -8.1869 -8.1869 -2.7698 -2.7698 -2.1961 -2.1961 1.0104 1.0104 1.0531 1.0531 1.0937 1.0937 1.1647 1.1647 1.3056 1.3056 1.4275 1.4275 1.5140 1.5140 1.6383 1.6383 1.6869 1.6869 1.6968 1.6968 4.4286 4.4286 6.3643 6.3643 7.2020 7.2020 7.4165 7.4165 7.5952 7.5952 7.7371 7.7371 9.5039 9.5039 10.6104 10.6104 11.5221 11.5221 11.5500 11.5500 k = 0.0667 0.0385 0.2887 ( 3552 PWs) bands (ev): -26.5715 -26.5715 -9.4053 -9.4053 -8.3388 -8.3388 -8.1897 -8.1897 -2.7620 -2.7620 -2.1865 -2.1865 1.0114 1.0114 1.0533 1.0533 1.0936 1.0936 1.1662 1.1662 1.3078 1.3078 1.4285 1.4285 1.5147 1.5147 1.6382 1.6382 1.6861 1.6861 1.6960 1.6960 4.4286 4.4286 6.3605 6.3605 7.0977 7.0977 7.3763 7.3763 7.5430 7.5430 7.7425 7.7425 9.5964 9.5964 10.6485 10.6485 11.5566 11.5566 11.5937 11.5937 k = 0.0778 0.0449 0.2887 ( 3552 PWs) bands (ev): -26.5712 -26.5712 -9.4063 -9.4063 -8.3392 -8.3392 -8.1929 -8.1929 -2.7527 -2.7527 -2.1753 -2.1753 1.0126 1.0126 1.0536 1.0536 1.0936 1.0936 1.1678 1.1678 1.3103 1.3103 1.4295 1.4295 1.5156 1.5156 1.6382 1.6382 1.6847 1.6847 1.6954 1.6954 4.4283 4.4283 6.3506 6.3506 6.9940 6.9940 7.3327 7.3327 7.4827 7.4827 7.7462 7.7462 9.6890 9.6890 10.6937 10.6937 11.5921 11.5921 11.6450 11.6450 k = 0.0889 0.0513 0.2887 ( 3552 PWs) bands (ev): -26.5709 -26.5709 -9.4074 -9.4074 -8.3396 -8.3396 -8.1965 -8.1965 -2.7422 -2.7422 -2.1624 -2.1624 1.0139 1.0139 1.0539 1.0539 1.0937 1.0937 1.1695 1.1695 1.3132 1.3132 1.4308 1.4308 1.5165 1.5165 1.6381 1.6381 1.6827 1.6827 1.6952 1.6952 4.4278 4.4278 6.3297 6.3297 6.8976 6.8976 7.2861 7.2861 7.4157 7.4157 7.7480 7.7480 9.7777 9.7777 10.7461 10.7461 11.6253 11.6253 11.7033 11.7033 k = 0.1000 0.0577 0.2887 ( 3552 PWs) bands (ev): -26.5705 -26.5705 -9.4086 -9.4086 -8.3401 -8.3401 -8.2005 -8.2005 -2.7302 -2.7302 -2.1481 -2.1481 1.0153 1.0153 1.0543 1.0543 1.0940 1.0940 1.1714 1.1714 1.3164 1.3164 1.4321 1.4321 1.5177 1.5177 1.6381 1.6381 1.6802 1.6802 1.6954 1.6954 4.4270 4.4270 6.2914 6.2914 6.8167 6.8167 7.2371 7.2371 7.3432 7.3432 7.7480 7.7480 9.8590 9.8590 10.8058 10.8058 11.6508 11.6508 11.7678 11.7678 k = 0.1111 0.0642 0.2887 ( 3558 PWs) bands (ev): -26.5701 -26.5701 -9.4100 -9.4100 -8.3407 -8.3407 -8.2048 -8.2048 -2.7170 -2.7170 -2.1323 -2.1323 1.0168 1.0168 1.0548 1.0548 1.0944 1.0944 1.1734 1.1734 1.3198 1.3198 1.4337 1.4337 1.5189 1.5189 1.6381 1.6381 1.6773 1.6773 1.6957 1.6957 4.4257 4.4257 6.2297 6.2297 6.7585 6.7585 7.1859 7.1859 7.2664 7.2664 7.7461 7.7461 9.9303 9.9303 10.8718 10.8718 11.6619 11.6619 11.8379 11.8379 k = 0.1222 0.0706 0.2887 ( 3558 PWs) bands (ev): -26.5697 -26.5697 -9.4116 -9.4116 -8.3414 -8.3414 -8.2094 -8.2094 -2.7024 -2.7024 -2.1151 -2.1151 1.0185 1.0185 1.0554 1.0554 1.0951 1.0951 1.1756 1.1756 1.3236 1.3236 1.4353 1.4353 1.5204 1.5204 1.6381 1.6381 1.6742 1.6742 1.6963 1.6963 4.4238 4.4238 6.1440 6.1440 6.7243 6.7243 7.1330 7.1330 7.1862 7.1862 7.7424 7.7424 9.9904 9.9904 10.9411 10.9411 11.6526 11.6526 11.9126 11.9126 k = 0.1333 0.0770 0.2887 ( 3562 PWs) bands (ev): -26.5692 -26.5692 -9.4133 -9.4133 -8.3422 -8.3422 -8.2141 -8.2141 -2.6866 -2.6866 -2.0966 -2.0966 1.0201 1.0201 1.0561 1.0561 1.0959 1.0959 1.1778 1.1778 1.3277 1.3277 1.4371 1.4371 1.5219 1.5219 1.6381 1.6381 1.6710 1.6710 1.6971 1.6971 4.4211 4.4211 6.0393 6.0393 6.7099 6.7099 7.0784 7.0784 7.1040 7.1040 7.7370 7.7370 10.0389 10.0389 11.0082 11.0082 11.6252 11.6252 11.9671 11.9671 k = 0.1444 0.0834 0.2887 ( 3558 PWs) bands (ev): -26.5687 -26.5687 -9.4151 -9.4151 -8.3432 -8.3432 -8.2191 -8.2191 -2.6695 -2.6695 -2.0769 -2.0769 1.0218 1.0218 1.0571 1.0571 1.0970 1.0970 1.1800 1.1800 1.3320 1.3320 1.4390 1.4390 1.5235 1.5235 1.6380 1.6380 1.6678 1.6678 1.6980 1.6980 4.4175 4.4175 5.9221 5.9221 6.7090 6.7090 7.0168 7.0168 7.0262 7.0262 7.7301 7.7301 10.0765 10.0765 11.0638 11.0638 11.5931 11.5931 11.9408 11.9408 k = 0.1556 0.0898 0.2887 ( 3558 PWs) bands (ev): -26.5681 -26.5681 -9.4171 -9.4171 -8.3443 -8.3443 -8.2241 -8.2241 -2.6513 -2.6513 -2.0561 -2.0561 1.0236 1.0236 1.0583 1.0583 1.0984 1.0984 1.1824 1.1824 1.3364 1.3364 1.4410 1.4410 1.5252 1.5252 1.6377 1.6377 1.6649 1.6649 1.6991 1.6991 4.4128 4.4128 5.7975 5.7975 6.7165 6.7165 6.9344 6.9344 6.9682 6.9682 7.7218 7.7218 10.1044 10.1044 11.0954 11.0954 11.5735 11.5735 11.9105 11.9105 k = 0.1667 0.0962 0.2887 ( 3556 PWs) bands (ev): -26.5676 -26.5676 -9.4192 -9.4192 -8.3457 -8.3457 -8.2292 -8.2292 -2.6320 -2.6320 -2.0342 -2.0342 1.0252 1.0252 1.0599 1.0599 1.0999 1.0999 1.1848 1.1848 1.3411 1.3411 1.4432 1.4432 1.5269 1.5269 1.6370 1.6370 1.6626 1.6626 1.7003 1.7003 4.4066 4.4066 5.6689 5.6689 6.7275 6.7275 6.8526 6.8526 6.9114 6.9114 7.7121 7.7121 10.1237 10.1237 11.0939 11.0939 11.5768 11.5768 11.8740 11.8740 k = 0.1778 0.1026 0.2887 ( 3556 PWs) bands (ev): -26.5670 -26.5670 -9.4214 -9.4214 -8.3472 -8.3472 -8.2342 -8.2342 -2.6115 -2.6115 -2.0115 -2.0115 1.0268 1.0268 1.0617 1.0617 1.1016 1.1016 1.1873 1.1873 1.3459 1.3459 1.4454 1.4454 1.5286 1.5286 1.6357 1.6357 1.6611 1.6611 1.7018 1.7018 4.3988 4.3988 5.5384 5.5384 6.7241 6.7241 6.7896 6.7896 6.8545 6.8545 7.7012 7.7012 10.1356 10.1356 11.0631 11.0631 11.5976 11.5976 11.8291 11.8291 k = 0.1889 0.1091 0.2887 ( 3556 PWs) bands (ev): -26.5663 -26.5663 -9.4237 -9.4237 -8.3490 -8.3490 -8.2391 -8.2391 -2.5901 -2.5901 -1.9879 -1.9879 1.0283 1.0283 1.0640 1.0640 1.1035 1.1035 1.1899 1.1899 1.3508 1.3508 1.4476 1.4476 1.5302 1.5302 1.6336 1.6336 1.6607 1.6607 1.7034 1.7034 4.3890 4.3890 5.4076 5.4076 6.6632 6.6632 6.7871 6.7871 6.7986 6.7986 7.6893 7.6893 10.1410 10.1410 11.0150 11.0150 11.6215 11.6215 11.7754 11.7754 k = 0.2000 0.1155 0.2887 ( 3558 PWs) bands (ev): -26.5657 -26.5657 -9.4262 -9.4262 -8.3510 -8.3510 -8.2439 -8.2439 -2.5676 -2.5676 -1.9636 -1.9636 1.0298 1.0298 1.0667 1.0667 1.1057 1.1057 1.1926 1.1926 1.3558 1.3558 1.4500 1.4500 1.5316 1.5316 1.6308 1.6308 1.6615 1.6615 1.7054 1.7054 4.3769 4.3769 5.2775 5.2775 6.5839 6.5839 6.7407 6.7407 6.8086 6.8086 7.6764 7.6764 10.1406 10.1406 10.9596 10.9596 11.6368 11.6368 11.7143 11.7143 k = 0.2111 0.1219 0.2887 ( 3546 PWs) bands (ev): -26.5651 -26.5651 -9.4288 -9.4288 -8.3533 -8.3533 -8.2484 -8.2484 -2.5443 -2.5443 -1.9388 -1.9388 1.0313 1.0313 1.0698 1.0698 1.1080 1.1080 1.1953 1.1953 1.3609 1.3609 1.4524 1.4524 1.5328 1.5328 1.6275 1.6275 1.6633 1.6633 1.7078 1.7078 4.3619 4.3619 5.1490 5.1490 6.5037 6.5037 6.6847 6.6847 6.8331 6.8331 7.6627 7.6627 10.1350 10.1350 10.9033 10.9033 11.6274 11.6274 11.6591 11.6591 k = 0.2222 0.1283 0.2887 ( 3550 PWs) bands (ev): -26.5644 -26.5644 -9.4314 -9.4314 -8.3560 -8.3560 -8.2527 -8.2527 -2.5202 -2.5202 -1.9135 -1.9135 1.0327 1.0327 1.0732 1.0732 1.1105 1.1105 1.1981 1.1981 1.3660 1.3660 1.4548 1.4548 1.5336 1.5336 1.6238 1.6238 1.6659 1.6659 1.7107 1.7107 4.3436 4.3436 5.0229 5.0229 6.4252 6.4252 6.6292 6.6292 6.8597 6.8597 7.6484 7.6484 10.1245 10.1245 10.8498 10.8498 11.5618 11.5618 11.6436 11.6436 k = 0.2333 0.1347 0.2887 ( 3552 PWs) bands (ev): -26.5637 -26.5637 -9.4342 -9.4342 -8.3589 -8.3589 -8.2566 -8.2566 -2.4953 -2.4953 -1.8879 -1.8879 1.0342 1.0342 1.0770 1.0770 1.1131 1.1131 1.2010 1.2010 1.3712 1.3712 1.4573 1.4573 1.5340 1.5340 1.6199 1.6199 1.6690 1.6690 1.7142 1.7142 4.3212 4.3212 4.9002 4.9002 6.3491 6.3491 6.5746 6.5746 6.8872 6.8872 7.6334 7.6334 10.1095 10.1095 10.8010 10.8010 11.4831 11.4831 11.6287 11.6287 k = 0.2444 0.1411 0.2887 ( 3548 PWs) bands (ev): -26.5631 -26.5631 -9.4370 -9.4370 -8.3621 -8.3621 -8.2602 -8.2602 -2.4698 -2.4698 -1.8621 -1.8621 1.0358 1.0358 1.0811 1.0811 1.1160 1.1160 1.2040 1.2040 1.3765 1.3765 1.4599 1.4599 1.5340 1.5340 1.6160 1.6160 1.6725 1.6725 1.7186 1.7186 4.2939 4.2939 4.7819 4.7819 6.2762 6.2762 6.5209 6.5209 6.9154 6.9154 7.6180 7.6180 10.0903 10.0903 10.7583 10.7583 11.4007 11.4007 11.6089 11.6089 k = 0.2556 0.1475 0.2887 ( 3548 PWs) bands (ev): -26.5624 -26.5624 -9.4399 -9.4399 -8.3657 -8.3657 -8.2633 -8.2633 -2.4438 -2.4438 -1.8363 -1.8363 1.0375 1.0375 1.0855 1.0855 1.1191 1.1191 1.2071 1.2071 1.3818 1.3818 1.4624 1.4624 1.5335 1.5335 1.6122 1.6122 1.6761 1.6761 1.7240 1.7240 4.2604 4.2604 4.6693 4.6693 6.2069 6.2069 6.4685 6.4685 6.9438 6.9438 7.6023 7.6023 10.0674 10.0674 10.7221 10.7221 11.3166 11.3166 11.5854 11.5854 k = 0.2667 0.1540 0.2887 ( 3552 PWs) bands (ev): -26.5617 -26.5617 -9.4428 -9.4428 -8.3695 -8.3695 -8.2661 -8.2661 -2.4173 -2.4173 -1.8105 -1.8105 1.0393 1.0393 1.0899 1.0899 1.1224 1.1224 1.2102 1.2102 1.3870 1.3870 1.4650 1.4650 1.5326 1.5326 1.6085 1.6085 1.6795 1.6795 1.7305 1.7305 4.2190 4.2190 4.5642 4.5642 6.1416 6.1416 6.4174 6.4174 6.9722 6.9722 7.5865 7.5865 10.0412 10.0412 10.6925 10.6925 11.2322 11.2322 11.5597 11.5597 k = 0.2778 0.1604 0.2887 ( 3554 PWs) bands (ev): -26.5611 -26.5611 -9.4457 -9.4457 -8.3735 -8.3735 -8.2685 -8.2685 -2.3905 -2.3905 -1.7850 -1.7850 1.0412 1.0412 1.0945 1.0945 1.1260 1.1260 1.2135 1.2135 1.3923 1.3923 1.4675 1.4675 1.5313 1.5313 1.6050 1.6050 1.6828 1.6828 1.7381 1.7381 4.1677 4.1677 4.4688 4.4688 6.0805 6.0805 6.3677 6.3677 7.0003 7.0003 7.5705 7.5705 10.0124 10.0124 10.6693 10.6693 11.1485 11.1485 11.5327 11.5327 k = 0.2889 0.1668 0.2887 ( 3554 PWs) bands (ev): -26.5604 -26.5604 -9.4487 -9.4487 -8.3777 -8.3777 -8.2706 -8.2706 -2.3634 -2.3634 -1.7598 -1.7598 1.0434 1.0434 1.0990 1.0990 1.1299 1.1299 1.2170 1.2170 1.3976 1.3976 1.4701 1.4701 1.5296 1.5296 1.6017 1.6017 1.6858 1.6858 1.7469 1.7469 4.1053 4.1053 4.3846 4.3846 6.0239 6.0239 6.3197 6.3197 7.0279 7.0279 7.5545 7.5545 9.9816 9.9816 10.6516 10.6516 11.0668 11.0668 11.5051 11.5051 k = 0.3000 0.1732 0.2887 ( 3554 PWs) bands (ev): -26.5597 -26.5597 -9.4517 -9.4517 -8.3821 -8.3821 -8.2723 -8.2723 -2.3364 -2.3364 -1.7351 -1.7351 1.0457 1.0457 1.1033 1.1033 1.1341 1.1341 1.2207 1.2207 1.4029 1.4029 1.4727 1.4727 1.5276 1.5276 1.5986 1.5986 1.6885 1.6885 1.7567 1.7567 4.0324 4.0324 4.3114 4.3114 5.9720 5.9720 6.2733 6.2733 7.0550 7.0550 7.5387 7.5387 9.9495 9.9495 10.6383 10.6383 10.9884 10.9884 11.4776 11.4776 k = 0.3111 0.1796 0.2887 ( 3546 PWs) bands (ev): -26.5591 -26.5591 -9.4546 -9.4546 -8.3865 -8.3865 -8.2737 -8.2737 -2.3093 -2.3093 -1.7110 -1.7110 1.0483 1.0483 1.1074 1.1074 1.1388 1.1388 1.2247 1.2247 1.4081 1.4081 1.4752 1.4752 1.5255 1.5255 1.5958 1.5958 1.6911 1.6911 1.7672 1.7672 3.9521 3.9521 4.2465 4.2465 5.9246 5.9246 6.2289 6.2289 7.0813 7.0813 7.5232 7.5232 9.9167 9.9167 10.6279 10.6279 10.9150 10.9150 11.4504 11.4504 k = 0.3222 0.1860 0.2887 ( 3550 PWs) bands (ev): -26.5585 -26.5585 -9.4575 -9.4575 -8.3909 -8.3909 -8.2749 -8.2749 -2.2825 -2.2825 -1.6876 -1.6876 1.0510 1.0510 1.1110 1.1110 1.1438 1.1438 1.2290 1.2290 1.4131 1.4131 1.4778 1.4778 1.5233 1.5233 1.5932 1.5932 1.6935 1.6935 1.7782 1.7782 3.8680 3.8680 4.1868 4.1868 5.8819 5.8819 6.1864 6.1864 7.1067 7.1067 7.5080 7.5080 9.8834 9.8834 10.6176 10.6176 10.8494 10.8494 11.4239 11.4239 k = 0.3333 0.1925 0.2887 ( 3538 PWs) bands (ev): -26.5579 -26.5579 -9.4603 -9.4603 -8.3953 -8.3953 -8.2758 -8.2758 -2.2561 -2.2561 -1.6651 -1.6651 1.0539 1.0539 1.1143 1.1143 1.1491 1.1491 1.2338 1.2338 1.4180 1.4180 1.4803 1.4803 1.5212 1.5212 1.5910 1.5910 1.6958 1.6958 1.7894 1.7894 3.7835 3.7835 4.1296 4.1296 5.8437 5.8437 6.1459 6.1459 7.1312 7.1312 7.4933 7.4933 9.8502 9.8502 10.6026 10.6026 10.7963 10.7963 11.3984 11.3984 k = 0.3444 0.1989 0.2887 ( 3550 PWs) bands (ev): -26.5573 -26.5573 -9.4631 -9.4631 -8.3997 -8.3997 -8.2765 -8.2765 -2.2301 -2.2301 -1.6436 -1.6436 1.0569 1.0569 1.1172 1.1172 1.1544 1.1544 1.2390 1.2390 1.4225 1.4225 1.4826 1.4826 1.5193 1.5193 1.5891 1.5891 1.6982 1.6982 1.8006 1.8006 3.7008 3.7008 4.0734 4.0734 5.8097 5.8097 6.1076 6.1076 7.1546 7.1546 7.4791 7.4791 9.8171 9.8171 10.5772 10.5772 10.7615 10.7615 11.3741 11.3741 k = 0.3556 0.2053 0.2887 ( 3554 PWs) bands (ev): -26.5568 -26.5568 -9.4658 -9.4658 -8.4039 -8.4039 -8.2770 -8.2770 -2.2049 -2.2049 -1.6232 -1.6232 1.0601 1.0601 1.1196 1.1196 1.1598 1.1598 1.2448 1.2448 1.4267 1.4267 1.4847 1.4847 1.5178 1.5178 1.5876 1.5876 1.7005 1.7005 1.8114 1.8114 3.6217 3.6217 4.0175 4.0175 5.7798 5.7798 6.0715 6.0715 7.1770 7.1770 7.4656 7.4656 9.7844 9.7844 10.5396 10.5396 10.7464 10.7464 11.3511 11.3511 k = 0.3667 0.2117 0.2887 ( 3552 PWs) bands (ev): -26.5563 -26.5563 -9.4684 -9.4684 -8.4079 -8.4079 -8.2774 -8.2774 -2.1805 -2.1805 -1.6039 -1.6039 1.0634 1.0634 1.1216 1.1216 1.1649 1.1649 1.2512 1.2512 1.4305 1.4305 1.4863 1.4863 1.5171 1.5171 1.5867 1.5867 1.7030 1.7030 1.8214 1.8214 3.5472 3.5472 3.9616 3.9616 5.7536 5.7536 6.0378 6.0378 7.1981 7.1981 7.4528 7.4528 9.7523 9.7523 10.4950 10.4950 10.7459 10.7459 11.3295 11.3295 k = 0.3778 0.2181 0.2887 ( 3556 PWs) bands (ev): -26.5558 -26.5558 -9.4708 -9.4708 -8.4118 -8.4118 -8.2776 -8.2776 -2.1572 -2.1572 -1.5860 -1.5860 1.0668 1.0668 1.1233 1.1233 1.1698 1.1698 1.2582 1.2582 1.4338 1.4338 1.4873 1.4873 1.5172 1.5172 1.5864 1.5864 1.7057 1.7057 1.8303 1.8303 3.4783 3.4783 3.9059 3.9059 5.7309 5.7309 6.0064 6.0064 7.2179 7.2179 7.4409 7.4409 9.7208 9.7208 10.4490 10.4490 10.7540 10.7540 11.3094 11.3094 k = 0.3889 0.2245 0.2887 ( 3548 PWs) bands (ev): -26.5553 -26.5553 -9.4731 -9.4731 -8.4153 -8.4153 -8.2778 -8.2778 -2.1351 -2.1351 -1.5694 -1.5694 1.0702 1.0702 1.1246 1.1246 1.1742 1.1742 1.2659 1.2659 1.4365 1.4365 1.4874 1.4874 1.5183 1.5183 1.5869 1.5869 1.7087 1.7087 1.8376 1.8376 3.4158 3.4158 3.8507 3.8507 5.7113 5.7113 5.9776 5.9776 7.2363 7.2363 7.4299 7.4299 9.6902 9.6902 10.4047 10.4047 10.7670 10.7670 11.2910 11.2910 k = 0.4000 0.2309 0.2887 ( 3554 PWs) bands (ev): -26.5549 -26.5549 -9.4752 -9.4752 -8.4187 -8.4187 -8.2779 -8.2779 -2.1144 -2.1144 -1.5542 -1.5542 1.0737 1.0737 1.1256 1.1256 1.1781 1.1781 1.2739 1.2739 1.4386 1.4386 1.4868 1.4868 1.5201 1.5201 1.5883 1.5883 1.7121 1.7121 1.8430 1.8430 3.3601 3.3601 3.7965 3.7965 5.6946 5.6946 5.9513 5.9513 7.2533 7.2533 7.4199 7.4199 9.6607 9.6607 10.3639 10.3639 10.7829 10.7829 11.2743 11.2743 k = 0.4111 0.2374 0.2887 ( 3554 PWs) bands (ev): -26.5545 -26.5545 -9.4772 -9.4772 -8.4217 -8.4217 -8.2779 -8.2779 -2.0953 -2.0953 -1.5405 -1.5405 1.0770 1.0770 1.1262 1.1262 1.1815 1.1815 1.2823 1.2823 1.4403 1.4403 1.4856 1.4856 1.5223 1.5223 1.5907 1.5907 1.7159 1.7159 1.8462 1.8462 3.3117 3.3117 3.7439 3.7439 5.6804 5.6804 5.9276 5.9276 7.2687 7.2687 7.4110 7.4110 9.6327 9.6327 10.3273 10.3273 10.8002 10.8002 11.2594 11.2594 k = 0.4222 0.2438 0.2887 ( 3562 PWs) bands (ev): -26.5542 -26.5542 -9.4789 -9.4789 -8.4245 -8.4245 -8.2779 -8.2779 -2.0780 -2.0780 -1.5283 -1.5283 1.0803 1.0803 1.1266 1.1266 1.1845 1.1845 1.2906 1.2906 1.4414 1.4414 1.4839 1.4839 1.5245 1.5245 1.5941 1.5941 1.7204 1.7204 1.8468 1.8468 3.2710 3.2710 3.6936 3.6936 5.6685 5.6685 5.9065 5.9065 7.2824 7.2824 7.4033 7.4033 9.6066 9.6066 10.2952 10.2952 10.8177 10.8177 11.2462 11.2462 k = 0.4333 0.2502 0.2887 ( 3566 PWs) bands (ev): -26.5539 -26.5539 -9.4805 -9.4805 -8.4269 -8.4269 -8.2779 -8.2779 -2.0626 -2.0626 -1.5177 -1.5177 1.0833 1.0833 1.1267 1.1267 1.1869 1.1869 1.2988 1.2988 1.4421 1.4421 1.4822 1.4822 1.5265 1.5265 1.5984 1.5984 1.7256 1.7256 1.8448 1.8448 3.2378 3.2378 3.6464 3.6464 5.6586 5.6586 5.8882 5.8882 7.2941 7.2941 7.3969 7.3969 9.5827 9.5827 10.2678 10.2678 10.8347 10.8347 11.2349 11.2349 k = 0.4444 0.2566 0.2887 ( 3570 PWs) bands (ev): -26.5536 -26.5536 -9.4818 -9.4818 -8.4289 -8.4289 -8.2779 -8.2779 -2.0493 -2.0493 -1.5087 -1.5087 1.0861 1.0861 1.1266 1.1266 1.1889 1.1889 1.3065 1.3065 1.4425 1.4425 1.4804 1.4804 1.5281 1.5281 1.6033 1.6033 1.7319 1.7319 1.8402 1.8402 3.2120 3.2120 3.6033 3.6033 5.6506 5.6506 5.8726 5.8726 7.3039 7.3039 7.3919 7.3919 9.5615 9.5615 10.2449 10.2449 10.8504 10.8504 11.2255 11.2255 k = 0.4556 0.2630 0.2887 ( 3570 PWs) bands (ev): -26.5534 -26.5534 -9.4829 -9.4829 -8.4306 -8.4306 -8.2778 -8.2778 -2.0382 -2.0382 -1.5013 -1.5013 1.0887 1.0887 1.1263 1.1263 1.1905 1.1905 1.3133 1.3133 1.4426 1.4426 1.4787 1.4787 1.5292 1.5292 1.6082 1.6082 1.7394 1.7394 1.8332 1.8332 3.1930 3.1930 3.5653 3.5653 5.6443 5.6443 5.8597 5.8597 7.3116 7.3116 7.3881 7.3881 9.5434 9.5434 10.2264 10.2264 10.8642 10.8642 11.2178 11.2178 k = 0.4667 0.2694 0.2887 ( 3574 PWs) bands (ev): -26.5533 -26.5533 -9.4838 -9.4838 -8.4320 -8.4320 -8.2778 -8.2778 -2.0294 -2.0294 -1.4955 -1.4955 1.0908 1.0908 1.1260 1.1260 1.1917 1.1917 1.3191 1.3191 1.4425 1.4425 1.4773 1.4773 1.5301 1.5301 1.6127 1.6127 1.7479 1.7479 1.8243 1.8243 3.1800 3.1800 3.5337 3.5337 5.6395 5.6395 5.8498 5.8498 7.3173 7.3173 7.3857 7.3857 9.5289 9.5289 10.2123 10.2123 10.8755 10.8755 11.2119 11.2119 k = 0.4778 0.2758 0.2887 ( 3574 PWs) bands (ev): -26.5532 -26.5532 -9.4844 -9.4844 -8.4329 -8.4329 -8.2777 -8.2777 -2.0230 -2.0230 -1.4914 -1.4914 1.0924 1.0924 1.1257 1.1257 1.1926 1.1926 1.3234 1.3234 1.4423 1.4423 1.4762 1.4762 1.5306 1.5306 1.6164 1.6164 1.7573 1.7573 1.8143 1.8143 3.1720 3.1720 3.5098 3.5098 5.6362 5.6362 5.8426 5.8426 7.3211 7.3211 7.3843 7.3843 9.5183 9.5183 10.2022 10.2022 10.8838 10.8838 11.2078 11.2078 k = 0.4889 0.2823 0.2887 ( 3574 PWs) bands (ev): -26.5531 -26.5531 -9.4848 -9.4848 -8.4335 -8.4335 -8.2777 -8.2777 -2.0192 -2.0192 -1.4890 -1.4890 1.0934 1.0934 1.1254 1.1254 1.1931 1.1931 1.3261 1.3261 1.4422 1.4422 1.4755 1.4755 1.5308 1.5308 1.6187 1.6187 1.7663 1.7663 1.8047 1.8047 3.1678 3.1678 3.4948 3.4948 5.6342 5.6342 5.8383 5.8383 7.3232 7.3232 7.3836 7.3836 9.5118 9.5118 10.1963 10.1963 10.8890 10.8890 11.2053 11.2053 k = 0.5000 0.2887 0.2887 ( 3608 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4337 -8.4337 -8.2777 -8.2777 -2.0179 -2.0179 -1.4882 -1.4882 1.0937 1.0937 1.1253 1.1253 1.1932 1.1932 1.3270 1.3270 1.4420 1.4420 1.4752 1.4752 1.5309 1.5309 1.6194 1.6194 1.7708 1.7708 1.7998 1.7998 3.1664 3.1664 3.4897 3.4897 5.6335 5.6335 5.8369 5.8369 7.3239 7.3239 7.3834 7.3834 9.5096 9.5096 10.1943 10.1943 10.8907 10.8907 11.2045 11.2045 k = 0.5000 0.2887 0.2887 ( 3608 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4337 -8.4337 -8.2777 -8.2777 -2.0179 -2.0179 -1.4882 -1.4882 1.0937 1.0937 1.1253 1.1253 1.1932 1.1932 1.3270 1.3270 1.4420 1.4420 1.4752 1.4752 1.5309 1.5309 1.6194 1.6194 1.7708 1.7708 1.7998 1.7998 3.1664 3.1664 3.4897 3.4897 5.6335 5.6335 5.8369 5.8369 7.3239 7.3239 7.3834 7.3834 9.5096 9.5096 10.1943 10.1943 10.8907 10.8907 11.2045 11.2045 k = 0.4936 0.2998 0.2887 ( 3576 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4336 -8.4336 -8.2779 -8.2779 -2.0172 -2.0172 -1.4883 -1.4883 1.0939 1.0939 1.1254 1.1254 1.1932 1.1932 1.3270 1.3270 1.4420 1.4420 1.4754 1.4754 1.5309 1.5309 1.6197 1.6197 1.7704 1.7704 1.8006 1.8006 3.1671 3.1671 3.4903 3.4903 5.6347 5.6347 5.8314 5.8314 7.3204 7.3204 7.3766 7.3766 9.5143 9.5143 10.2026 10.2026 10.8987 10.8987 11.2024 11.2024 k = 0.4872 0.3109 0.2887 ( 3576 PWs) bands (ev): -26.5530 -26.5530 -9.4849 -9.4849 -8.4334 -8.4334 -8.2785 -8.2785 -2.0151 -2.0151 -1.4889 -1.4889 1.0946 1.0946 1.1255 1.1255 1.1928 1.1928 1.3269 1.3269 1.4419 1.4419 1.4758 1.4758 1.5309 1.5309 1.6205 1.6205 1.7693 1.7693 1.8024 1.8024 3.1692 3.1692 3.4919 3.4919 5.6381 5.6381 5.8153 5.8153 7.3085 7.3085 7.3583 7.3583 9.5280 9.5280 10.2272 10.2272 10.9227 10.9227 11.1962 11.1962 k = 0.4808 0.3220 0.2887 ( 3576 PWs) bands (ev): -26.5530 -26.5530 -9.4849 -9.4849 -8.4331 -8.4331 -8.2795 -8.2795 -2.0116 -2.0116 -1.4898 -1.4898 1.0956 1.0956 1.1256 1.1256 1.1922 1.1922 1.3268 1.3268 1.4417 1.4417 1.4764 1.4764 1.5308 1.5308 1.6218 1.6218 1.7676 1.7676 1.8051 1.8051 3.1725 3.1725 3.4945 3.4945 5.6438 5.6438 5.7890 5.7890 7.2825 7.2825 7.3351 7.3351 9.5499 9.5499 10.2677 10.2677 10.9622 10.9622 11.1861 11.1861 k = 0.4744 0.3331 0.2887 ( 3574 PWs) bands (ev): -26.5529 -26.5529 -9.4850 -9.4850 -8.4326 -8.4326 -8.2808 -8.2808 -2.0066 -2.0066 -1.4912 -1.4912 1.0971 1.0971 1.1259 1.1259 1.1914 1.1914 1.3266 1.3266 1.4415 1.4415 1.4771 1.4771 1.5307 1.5307 1.6235 1.6235 1.7656 1.7656 1.8087 1.8087 3.1772 3.1772 3.4981 3.4981 5.6518 5.6518 5.7533 5.7533 7.2378 7.2378 7.3135 7.3135 9.5790 9.5790 10.3235 10.3235 11.0167 11.0167 11.1725 11.1725 k = 0.4679 0.3442 0.2887 ( 3574 PWs) bands (ev): -26.5529 -26.5529 -9.4850 -9.4850 -8.4319 -8.4319 -8.2825 -8.2825 -2.0004 -2.0004 -1.4929 -1.4929 1.0989 1.0989 1.1261 1.1261 1.1903 1.1903 1.3265 1.3265 1.4413 1.4413 1.4780 1.4780 1.5306 1.5306 1.6253 1.6253 1.7636 1.7636 1.8128 1.8128 3.1832 3.1832 3.5027 3.5027 5.6618 5.6618 5.7092 5.7092 7.1778 7.1778 7.2921 7.2921 9.6139 9.6139 10.3936 10.3936 11.0847 11.0847 11.1563 11.1563 k = 0.4615 0.3553 0.2887 ( 3576 PWs) bands (ev): -26.5528 -26.5528 -9.4851 -9.4851 -8.4312 -8.4312 -8.2845 -8.2845 -1.9928 -1.9928 -1.4951 -1.4951 1.1011 1.1011 1.1265 1.1265 1.1892 1.1892 1.3264 1.3264 1.4412 1.4412 1.4789 1.4789 1.5305 1.5305 1.6273 1.6273 1.7617 1.7617 1.8175 1.8175 3.1905 3.1905 3.5081 3.5081 5.6568 5.6568 5.6749 5.6749 7.1070 7.1070 7.2688 7.2688 9.6535 9.6535 10.4770 10.4770 11.1337 11.1337 11.1697 11.1697 k = 0.4551 0.3664 0.2887 ( 3576 PWs) bands (ev): -26.5527 -26.5527 -9.4852 -9.4852 -8.4303 -8.4303 -8.2869 -8.2869 -1.9838 -1.9838 -1.4977 -1.4977 1.1035 1.1035 1.1268 1.1268 1.1878 1.1878 1.3264 1.3264 1.4413 1.4413 1.4798 1.4798 1.5304 1.5304 1.6292 1.6292 1.7600 1.7600 1.8227 1.8227 3.1990 3.1990 3.5143 3.5143 5.5996 5.5996 5.6887 5.6887 7.0286 7.0286 7.2425 7.2425 9.6969 9.6969 10.5725 10.5725 11.1139 11.1139 11.2614 11.2614 k = 0.4487 0.3775 0.2887 ( 3576 PWs) bands (ev): -26.5526 -26.5526 -9.4852 -9.4852 -8.4294 -8.4294 -8.2895 -8.2895 -1.9737 -1.9737 -1.5007 -1.5007 1.1063 1.1063 1.1273 1.1273 1.1864 1.1864 1.3265 1.3265 1.4415 1.4415 1.4807 1.4807 1.5302 1.5302 1.6308 1.6308 1.7586 1.7586 1.8283 1.8283 3.2088 3.2088 3.5211 3.5211 5.5371 5.5371 5.7047 5.7047 6.9449 6.9449 7.2132 7.2132 9.7433 9.7433 10.6790 10.6790 11.0910 11.0910 11.3650 11.3650 k = 0.4423 0.3886 0.2887 ( 3576 PWs) bands (ev): -26.5525 -26.5525 -9.4853 -9.4853 -8.4283 -8.4283 -8.2923 -8.2923 -1.9623 -1.9623 -1.5043 -1.5043 1.1093 1.1093 1.1278 1.1278 1.1848 1.1848 1.3267 1.3267 1.4419 1.4419 1.4817 1.4817 1.5300 1.5300 1.6321 1.6321 1.7575 1.7575 1.8344 1.8344 3.2197 3.2197 3.5284 3.5284 5.4707 5.4707 5.7225 5.7225 6.8578 6.8578 7.1809 7.1809 9.7922 9.7922 10.7952 10.7952 11.0667 11.0667 11.4776 11.4776 k = 0.4359 0.3997 0.2887 ( 3572 PWs) bands (ev): -26.5524 -26.5524 -9.4855 -9.4855 -8.4272 -8.4272 -8.2954 -8.2954 -1.9498 -1.9498 -1.5083 -1.5083 1.1124 1.1124 1.1283 1.1283 1.1832 1.1832 1.3272 1.3272 1.4424 1.4424 1.4827 1.4827 1.5298 1.5298 1.6328 1.6328 1.7567 1.7567 1.8410 1.8410 3.2317 3.2317 3.5360 3.5360 5.4018 5.4018 5.7418 5.7418 6.7693 6.7693 7.1458 7.1458 9.8432 9.8432 10.9196 10.9196 11.0417 11.0417 11.5977 11.5977 k = 0.4295 0.4108 0.2887 ( 3564 PWs) bands (ev): -26.5522 -26.5522 -9.4856 -9.4856 -8.4259 -8.4259 -8.2986 -8.2986 -1.9362 -1.9362 -1.5129 -1.5129 1.1158 1.1158 1.1289 1.1289 1.1817 1.1817 1.3278 1.3278 1.4429 1.4429 1.4839 1.4839 1.5296 1.5296 1.6330 1.6330 1.7564 1.7564 1.8479 1.8479 3.2448 3.2448 3.5437 3.5437 5.3313 5.3313 5.7622 5.7622 6.6809 6.6809 7.1082 7.1082 9.8960 9.8960 11.0123 11.0123 11.0551 11.0551 11.7237 11.7237 k = 0.4231 0.4219 0.2887 ( 3568 PWs) bands (ev): -26.5521 -26.5521 -9.4857 -9.4857 -8.4247 -8.4247 -8.3019 -8.3019 -1.9217 -1.9217 -1.5181 -1.5181 1.1192 1.1192 1.1296 1.1296 1.1800 1.1800 1.3287 1.3287 1.4435 1.4435 1.4851 1.4851 1.5294 1.5294 1.6326 1.6326 1.7563 1.7563 1.8552 1.8552 3.2589 3.2589 3.5513 3.5513 5.2604 5.2604 5.7832 5.7832 6.5942 6.5942 7.0683 7.0683 9.9504 9.9504 10.9876 10.9876 11.1917 11.1917 11.8541 11.8541 k = 0.4167 0.4330 0.2887 ( 3548 PWs) bands (ev): -26.5519 -26.5519 -9.4859 -9.4859 -8.4234 -8.4234 -8.3053 -8.3053 -1.9062 -1.9062 -1.5238 -1.5238 1.1226 1.1226 1.1304 1.1304 1.1785 1.1785 1.3298 1.3298 1.4440 1.4440 1.4866 1.4866 1.5291 1.5291 1.6317 1.6317 1.7566 1.7566 1.8627 1.8627 3.2738 3.2738 3.5585 3.5585 5.1901 5.1901 5.8042 5.8042 6.5112 6.5112 7.0265 7.0265 10.0061 10.0061 10.9608 10.9608 11.3352 11.3352 11.9872 11.9872 k = 0.4103 0.4441 0.2887 ( 3556 PWs) bands (ev): -26.5518 -26.5518 -9.4861 -9.4861 -8.4221 -8.4221 -8.3087 -8.3087 -1.8898 -1.8898 -1.5302 -1.5302 1.1258 1.1258 1.1313 1.1313 1.1771 1.1771 1.3311 1.3311 1.4444 1.4444 1.4883 1.4883 1.5288 1.5288 1.6303 1.6303 1.7570 1.7570 1.8703 1.8703 3.2895 3.2895 3.5651 3.5651 5.1211 5.1211 5.8241 5.8241 6.4336 6.4336 6.9829 6.9829 10.0629 10.0629 10.9337 10.9337 11.4829 11.4829 12.1214 12.1214 k = 0.4038 0.4552 0.2887 ( 3556 PWs) bands (ev): -26.5517 -26.5517 -9.4863 -9.4863 -8.4208 -8.4208 -8.3121 -8.3121 -1.8727 -1.8727 -1.5373 -1.5373 1.1285 1.1285 1.1326 1.1326 1.1757 1.1757 1.3326 1.3326 1.4447 1.4447 1.4903 1.4903 1.5285 1.5285 1.6284 1.6284 1.7577 1.7577 1.8779 1.8779 3.3058 3.3058 3.5707 3.5707 5.0544 5.0544 5.8412 5.8412 6.3640 6.3640 6.9381 6.9381 10.1203 10.1203 10.9066 10.9066 11.6335 11.6335 12.2549 12.2549 k = 0.3974 0.4663 0.2887 ( 3572 PWs) bands (ev): -26.5515 -26.5515 -9.4865 -9.4865 -8.4195 -8.4195 -8.3154 -8.3154 -1.8550 -1.8550 -1.5450 -1.5450 1.1303 1.1303 1.1347 1.1347 1.1744 1.1744 1.3342 1.3342 1.4447 1.4447 1.4926 1.4926 1.5280 1.5280 1.6262 1.6262 1.7586 1.7586 1.8854 1.8854 3.3227 3.3227 3.5751 3.5751 4.9908 4.9908 5.8533 5.8533 6.3054 6.3054 6.8922 6.8922 10.1781 10.1781 10.8795 10.8795 11.7860 11.7860 12.3860 12.3860 k = 0.3910 0.4774 0.2887 ( 3560 PWs) bands (ev): -26.5514 -26.5514 -9.4867 -9.4867 -8.4183 -8.4183 -8.3185 -8.3185 -1.8367 -1.8367 -1.5535 -1.5535 1.1315 1.1315 1.1374 1.1374 1.1733 1.1733 1.3361 1.3361 1.4446 1.4446 1.4952 1.4952 1.5276 1.5276 1.6238 1.6238 1.7596 1.7596 1.8926 1.8926 3.3401 3.3401 3.5779 3.5779 4.9309 4.9309 5.8573 5.8573 6.2617 6.2617 6.8455 6.8455 10.2358 10.2358 10.8526 10.8526 11.9392 11.9392 12.5123 12.5123 k = 0.3846 0.4885 0.2887 ( 3564 PWs) bands (ev): -26.5512 -26.5512 -9.4869 -9.4869 -8.4172 -8.4172 -8.3215 -8.3215 -1.8180 -1.8180 -1.5627 -1.5627 1.1323 1.1323 1.1402 1.1402 1.1723 1.1723 1.3380 1.3380 1.4442 1.4442 1.4980 1.4980 1.5272 1.5272 1.6213 1.6213 1.7607 1.7607 1.8993 1.8993 3.3577 3.3577 3.5789 3.5789 4.8755 4.8755 5.8509 5.8509 6.2357 6.2357 6.7984 6.7984 10.2927 10.2927 10.8261 10.8261 12.0918 12.0918 12.6315 12.6315 k = 0.3782 0.4996 0.2887 ( 3558 PWs) bands (ev): -26.5511 -26.5511 -9.4872 -9.4872 -8.4162 -8.4162 -8.3242 -8.3242 -1.7991 -1.7991 -1.5727 -1.5727 1.1330 1.1330 1.1428 1.1428 1.1715 1.1715 1.3400 1.3400 1.4437 1.4437 1.5010 1.5010 1.5266 1.5266 1.6188 1.6188 1.7619 1.7619 1.9054 1.9054 3.3756 3.3756 3.5777 3.5777 4.8253 4.8253 5.8339 5.8339 6.2281 6.2281 6.7511 6.7511 10.3483 10.3483 10.8000 10.8000 12.2425 12.2425 12.7411 12.7411 k = 0.3718 0.5107 0.2887 ( 3558 PWs) bands (ev): -26.5510 -26.5510 -9.4874 -9.4874 -8.4153 -8.4153 -8.3266 -8.3266 -1.7799 -1.7799 -1.5836 -1.5836 1.1336 1.1336 1.1451 1.1451 1.1709 1.1709 1.3420 1.3420 1.4431 1.4431 1.5040 1.5040 1.5261 1.5261 1.6163 1.6163 1.7631 1.7631 1.9107 1.9107 3.3935 3.3935 3.5741 3.5741 4.7807 4.7807 5.8097 5.8097 6.2363 6.2363 6.7039 6.7039 10.4017 10.4017 10.7743 10.7743 12.3900 12.3900 12.8384 12.8384 k = 0.3654 0.5218 0.2887 ( 3562 PWs) bands (ev): -26.5509 -26.5509 -9.4876 -9.4876 -8.4146 -8.4146 -8.3287 -8.3287 -1.7607 -1.7607 -1.5953 -1.5953 1.1341 1.1341 1.1471 1.1471 1.1705 1.1705 1.3439 1.3439 1.4424 1.4424 1.5071 1.5071 1.5254 1.5254 1.6141 1.6141 1.7644 1.7644 1.9153 1.9153 3.4113 3.4113 3.5680 3.5680 4.7423 4.7423 5.7826 5.7826 6.2559 6.2559 6.6569 6.6569 10.4522 10.4522 10.7493 10.7493 12.5325 12.5325 12.9212 12.9212 k = 0.3590 0.5329 0.2887 ( 3550 PWs) bands (ev): -26.5508 -26.5508 -9.4878 -9.4878 -8.4140 -8.4140 -8.3304 -8.3304 -1.7417 -1.7417 -1.6079 -1.6079 1.1346 1.1346 1.1488 1.1488 1.1703 1.1703 1.3456 1.3456 1.4416 1.4416 1.5101 1.5101 1.5248 1.5248 1.6122 1.6122 1.7656 1.7656 1.9189 1.9189 3.4292 3.4292 3.5592 3.5592 4.7105 4.7105 5.7567 5.7567 6.2836 6.2836 6.6105 6.6105 10.4989 10.4989 10.7249 10.7249 12.6683 12.6683 12.9885 12.9885 k = 0.3526 0.5440 0.2887 ( 3550 PWs) bands (ev): -26.5507 -26.5507 -9.4880 -9.4880 -8.4136 -8.4136 -8.3317 -8.3317 -1.7229 -1.7229 -1.6213 -1.6213 1.1350 1.1350 1.1500 1.1500 1.1702 1.1702 1.3472 1.3472 1.4409 1.4409 1.5128 1.5128 1.5240 1.5240 1.6106 1.6106 1.7668 1.7668 1.9216 1.9216 3.4469 3.4469 3.5478 3.5478 4.6856 4.6856 5.7345 5.7345 6.3166 6.3166 6.5647 6.5647 10.5408 10.5408 10.7015 10.7015 12.7946 12.7946 13.0410 13.0410 k = 0.3462 0.5551 0.2887 ( 3554 PWs) bands (ev): -26.5507 -26.5507 -9.4881 -9.4881 -8.4133 -8.4133 -8.3326 -8.3326 -1.7047 -1.7047 -1.6355 -1.6355 1.1354 1.1354 1.1508 1.1508 1.1702 1.1702 1.3483 1.3483 1.4403 1.4403 1.5151 1.5151 1.5232 1.5232 1.6095 1.6095 1.7678 1.7678 1.9234 1.9234 3.4647 3.4647 3.5340 3.5340 4.6678 4.6678 5.7177 5.7177 6.3533 6.3533 6.5199 6.5199 10.5768 10.5768 10.6793 10.6793 12.9075 12.9075 13.0813 13.0813 k = 0.3397 0.5662 0.2887 ( 3542 PWs) bands (ev): -26.5507 -26.5507 -9.4882 -9.4882 -8.4132 -8.4132 -8.3332 -8.3332 -1.6876 -1.6876 -1.6500 -1.6500 1.1356 1.1356 1.1513 1.1513 1.1703 1.1703 1.3491 1.3491 1.4400 1.4400 1.5168 1.5168 1.5224 1.5224 1.6088 1.6088 1.7686 1.7686 1.9244 1.9244 3.4825 3.4825 3.5181 3.5181 4.6572 4.6572 5.7073 5.7073 6.3926 6.3926 6.4762 6.4762 10.6053 10.6053 10.6594 10.6594 12.9960 12.9960 13.1128 13.1128 k = 0.3333 0.5774 0.2887 ( 3534 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4131 -8.4131 -8.3334 -8.3334 -1.6766 -1.6766 -1.6602 -1.6602 1.1357 1.1357 1.1514 1.1514 1.1704 1.1704 1.3494 1.3494 1.4398 1.4398 1.5176 1.5176 1.5221 1.5221 1.6086 1.6086 1.7688 1.7688 1.9247 1.9247 3.4997 3.4997 3.5014 3.5014 4.6537 4.6537 5.7038 5.7038 6.4322 6.4322 6.4353 6.4353 10.6190 10.6190 10.6487 10.6487 13.0302 13.0302 13.1333 13.1333 k = 0.3333 0.5774 0.2887 ( 3534 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4131 -8.4131 -8.3334 -8.3334 -1.6766 -1.6766 -1.6602 -1.6602 1.1357 1.1357 1.1514 1.1514 1.1704 1.1704 1.3494 1.3494 1.4398 1.4398 1.5176 1.5176 1.5221 1.5221 1.6086 1.6086 1.7688 1.7688 1.9247 1.9247 3.4997 3.4997 3.5014 3.5014 4.6537 4.6537 5.7038 5.7038 6.4322 6.4322 6.4353 6.4353 10.6190 10.6190 10.6487 10.6487 13.0302 13.0302 13.1333 13.1333 k = 0.3269 0.5662 0.2887 ( 3544 PWs) bands (ev): -26.5507 -26.5507 -9.4882 -9.4882 -8.4132 -8.4132 -8.3332 -8.3332 -1.6877 -1.6877 -1.6500 -1.6500 1.1356 1.1356 1.1513 1.1513 1.1703 1.1703 1.3491 1.3491 1.4400 1.4400 1.5169 1.5169 1.5224 1.5224 1.6088 1.6088 1.7685 1.7685 1.9244 1.9244 3.4818 3.4818 3.5190 3.5190 4.6571 4.6571 5.7073 5.7073 6.3927 6.3927 6.4760 6.4760 10.6085 10.6085 10.6562 10.6562 13.0113 13.0113 13.0874 13.0874 k = 0.3205 0.5551 0.2887 ( 3548 PWs) bands (ev): -26.5507 -26.5507 -9.4881 -9.4881 -8.4132 -8.4132 -8.3327 -8.3327 -1.7052 -1.7052 -1.6354 -1.6354 1.1353 1.1353 1.1510 1.1510 1.1700 1.1700 1.3482 1.3482 1.4405 1.4405 1.5152 1.5152 1.5230 1.5230 1.6093 1.6093 1.7673 1.7673 1.9239 1.9239 3.4628 3.4628 3.5381 3.5381 4.6673 4.6673 5.7178 5.7178 6.3532 6.3532 6.5190 6.5190 10.5916 10.5916 10.6643 10.6643 12.9770 12.9770 13.0131 13.0131 k = 0.3141 0.5440 0.2887 ( 3542 PWs) bands (ev): -26.5508 -26.5508 -9.4879 -9.4879 -8.4133 -8.4133 -8.3319 -8.3319 -1.7243 -1.7243 -1.6213 -1.6213 1.1348 1.1348 1.1505 1.1505 1.1696 1.1696 1.3466 1.3466 1.4414 1.4414 1.5130 1.5130 1.5236 1.5236 1.6101 1.6101 1.7652 1.7652 1.9233 1.9233 3.4440 3.4440 3.5581 3.5581 4.6839 4.6839 5.7350 5.7350 6.3155 6.3155 6.5623 6.5623 10.5746 10.5746 10.6670 10.6670 12.9338 12.9338 12.9399 12.9399 k = 0.3077 0.5329 0.2887 ( 3546 PWs) bands (ev): -26.5508 -26.5508 -9.4876 -9.4876 -8.4133 -8.4133 -8.3309 -8.3309 -1.7446 -1.7446 -1.6083 -1.6083 1.1340 1.1340 1.1500 1.1500 1.1688 1.1688 1.3444 1.3444 1.4426 1.4426 1.5103 1.5103 1.5241 1.5241 1.6110 1.6110 1.7619 1.7619 1.9228 1.9228 3.4265 3.4265 3.5792 3.5792 4.7065 4.7065 5.7586 5.7586 6.2796 6.2796 6.6055 6.6055 10.5586 10.5586 10.6639 10.6639 12.8523 12.8523 12.9030 12.9030 k = 0.3013 0.5218 0.2887 ( 3546 PWs) bands (ev): -26.5510 -26.5510 -9.4872 -9.4872 -8.4132 -8.4132 -8.3297 -8.3297 -1.7658 -1.7658 -1.5966 -1.5966 1.1329 1.1329 1.1494 1.1494 1.1677 1.1677 1.3416 1.3416 1.4442 1.4442 1.5072 1.5072 1.5245 1.5245 1.6118 1.6118 1.7575 1.7575 1.9223 1.9223 3.4109 3.4109 3.6016 3.6016 4.7347 4.7347 5.7882 5.7882 6.2457 6.2457 6.6483 6.6483 10.5438 10.5438 10.6555 10.6555 12.7695 12.7695 12.8677 12.8677 k = 0.2949 0.5107 0.2887 ( 3554 PWs) bands (ev): -26.5511 -26.5511 -9.4866 -9.4866 -8.4129 -8.4129 -8.3283 -8.3283 -1.7881 -1.7881 -1.5865 -1.5865 1.1315 1.1315 1.1487 1.1487 1.1663 1.1663 1.3381 1.3381 1.4460 1.4460 1.5037 1.5037 1.5247 1.5247 1.6125 1.6125 1.7520 1.7520 1.9218 1.9218 3.3983 3.3983 3.6253 3.6253 4.7682 4.7682 5.8234 5.8234 6.2139 6.2139 6.6904 6.6904 10.5304 10.5304 10.6426 10.6426 12.6866 12.6866 12.8345 12.8345 k = 0.2885 0.4996 0.2887 ( 3558 PWs) bands (ev): -26.5513 -26.5513 -9.4860 -9.4860 -8.4126 -8.4126 -8.3267 -8.3267 -1.8113 -1.8113 -1.5779 -1.5779 1.1298 1.1298 1.1479 1.1479 1.1646 1.1646 1.3341 1.3341 1.4481 1.4481 1.4999 1.4999 1.5250 1.5250 1.6131 1.6131 1.7456 1.7456 1.9212 1.9212 3.3893 3.3893 3.6506 3.6506 4.8064 4.8064 5.8636 5.8636 6.1842 6.1842 6.7314 6.7314 10.5185 10.5185 10.6260 10.6260 12.6044 12.6044 12.8039 12.8039 k = 0.2821 0.4885 0.2887 ( 3546 PWs) bands (ev): -26.5515 -26.5515 -9.4852 -9.4852 -8.4120 -8.4120 -8.3250 -8.3250 -1.8353 -1.8353 -1.5711 -1.5711 1.1278 1.1278 1.1470 1.1470 1.1627 1.1627 1.3296 1.3296 1.4505 1.4505 1.4959 1.4959 1.5252 1.5252 1.6133 1.6133 1.7387 1.7387 1.9202 1.9202 3.3848 3.3848 3.6774 3.6774 4.8492 4.8492 5.9086 5.9086 6.1569 6.1569 6.7710 6.7710 10.5083 10.5083 10.6068 10.6068 12.5235 12.5235 12.7761 12.7761 k = 0.2756 0.4774 0.2887 ( 3554 PWs) bands (ev): -26.5518 -26.5518 -9.4843 -9.4843 -8.4112 -8.4112 -8.3232 -8.3232 -1.8603 -1.8603 -1.5661 -1.5661 1.1254 1.1254 1.1458 1.1458 1.1605 1.1605 1.3246 1.3246 1.4529 1.4529 1.4915 1.4915 1.5253 1.5253 1.6131 1.6131 1.7314 1.7314 1.9184 1.9184 3.3855 3.3855 3.7057 3.7057 4.8960 4.8960 5.9577 5.9577 6.1321 6.1321 6.8088 6.8088 10.4999 10.4999 10.5858 10.5858 12.4445 12.4445 12.7513 12.7513 k = 0.2692 0.4663 0.2887 ( 3554 PWs) bands (ev): -26.5520 -26.5520 -9.4832 -9.4832 -8.4103 -8.4103 -8.3213 -8.3213 -1.8861 -1.8861 -1.5630 -1.5630 1.1228 1.1228 1.1443 1.1443 1.1584 1.1584 1.3191 1.3191 1.4554 1.4554 1.4871 1.4871 1.5253 1.5253 1.6125 1.6125 1.7241 1.7241 1.9157 1.9157 3.3920 3.3920 3.7355 3.7355 4.9466 4.9466 6.0104 6.0104 6.1101 6.1101 6.8447 6.8447 10.4933 10.4933 10.5641 10.5641 12.3679 12.3679 12.7298 12.7298 k = 0.2628 0.4552 0.2887 ( 3550 PWs) bands (ev): -26.5523 -26.5523 -9.4820 -9.4820 -8.4091 -8.4091 -8.3194 -8.3194 -1.9126 -1.9126 -1.5619 -1.5619 1.1199 1.1199 1.1423 1.1423 1.1563 1.1563 1.3133 1.3133 1.4578 1.4578 1.4826 1.4826 1.5253 1.5253 1.6115 1.6115 1.7172 1.7172 1.9118 1.9118 3.4047 3.4047 3.7666 3.7666 5.0008 5.0008 6.0644 6.0644 6.0927 6.0927 6.8782 6.8782 10.4885 10.4885 10.5425 10.5425 12.2940 12.2940 12.7116 12.7116 k = 0.2564 0.4441 0.2887 ( 3554 PWs) bands (ev): -26.5527 -26.5527 -9.4807 -9.4807 -8.4076 -8.4076 -8.3174 -8.3174 -1.9399 -1.9399 -1.5627 -1.5627 1.1168 1.1168 1.1397 1.1397 1.1543 1.1543 1.3072 1.3072 1.4598 1.4598 1.4786 1.4786 1.5251 1.5251 1.6102 1.6102 1.7108 1.7108 1.9066 1.9066 3.4240 3.4240 3.7990 3.7990 5.0581 5.0581 6.0710 6.0710 6.1285 6.1285 6.9090 6.9090 10.4856 10.4856 10.5221 10.5221 12.2232 12.2232 12.6968 12.6968 k = 0.2500 0.4330 0.2887 ( 3562 PWs) bands (ev): -26.5531 -26.5531 -9.4791 -9.4791 -8.4060 -8.4060 -8.3153 -8.3153 -1.9677 -1.9677 -1.5657 -1.5657 1.1134 1.1134 1.1364 1.1364 1.1526 1.1526 1.3008 1.3008 1.4605 1.4605 1.4756 1.4756 1.5247 1.5247 1.6085 1.6085 1.7051 1.7051 1.8999 1.8999 3.4502 3.4502 3.8324 3.8324 5.1184 5.1184 6.0576 6.0576 6.1898 6.1898 6.9369 6.9369 10.4836 10.4836 10.5043 10.5043 12.1559 12.1559 12.6853 12.6853 k = 0.2436 0.4219 0.2887 ( 3546 PWs) bands (ev): -26.5535 -26.5535 -9.4775 -9.4775 -8.4041 -8.4041 -8.3132 -8.3132 -1.9962 -1.9962 -1.5706 -1.5706 1.1100 1.1100 1.1327 1.1327 1.1511 1.1511 1.2942 1.2942 1.4590 1.4590 1.4749 1.4749 1.5241 1.5241 1.6066 1.6066 1.7002 1.7002 1.8919 1.8919 3.4833 3.4833 3.8667 3.8667 5.1814 5.1814 6.0466 6.0466 6.2539 6.2539 6.9617 6.9617 10.4774 10.4774 10.4949 10.4949 12.0924 12.0924 12.6772 12.6772 k = 0.2372 0.4108 0.2887 ( 3554 PWs) bands (ev): -26.5539 -26.5539 -9.4756 -9.4756 -8.4020 -8.4020 -8.3110 -8.3110 -2.0252 -2.0252 -1.5775 -1.5775 1.1063 1.1063 1.1284 1.1284 1.1495 1.1495 1.2875 1.2875 1.4553 1.4553 1.4762 1.4762 1.5232 1.5232 1.6048 1.6048 1.6960 1.6960 1.8826 1.8826 3.5233 3.5233 3.9015 3.9015 5.2471 5.2471 6.0386 6.0386 6.3200 6.3200 6.9830 6.9830 10.4652 10.4652 10.4966 10.4966 12.0330 12.0330 12.6720 12.6720 k = 0.2308 0.3997 0.2887 ( 3550 PWs) bands (ev): -26.5544 -26.5544 -9.4737 -9.4737 -8.3997 -8.3997 -8.3088 -8.3088 -2.0546 -2.0546 -1.5865 -1.5865 1.1025 1.1025 1.1239 1.1239 1.1481 1.1481 1.2808 1.2808 1.4506 1.4506 1.4784 1.4784 1.5222 1.5222 1.6031 1.6031 1.6925 1.6925 1.8721 1.8721 3.5702 3.5702 3.9368 3.9368 5.3151 5.3151 6.0338 6.0338 6.3876 6.3876 7.0008 7.0008 10.4534 10.4534 10.5030 10.5030 11.9780 11.9780 12.6684 12.6684 k = 0.2244 0.3886 0.2887 ( 3546 PWs) bands (ev): -26.5549 -26.5549 -9.4716 -9.4716 -8.3972 -8.3972 -8.3066 -8.3066 -2.0844 -2.0844 -1.5973 -1.5973 1.0986 1.0986 1.1192 1.1192 1.1466 1.1466 1.2741 1.2741 1.4455 1.4455 1.4807 1.4807 1.5210 1.5210 1.6017 1.6017 1.6897 1.6897 1.8606 1.8606 3.6237 3.6237 3.9721 3.9721 5.3853 5.3853 6.0323 6.0323 6.4565 6.4565 7.0149 7.0149 10.4442 10.4442 10.5125 10.5125 11.9275 11.9275 12.6548 12.6548 k = 0.2179 0.3775 0.2887 ( 3550 PWs) bands (ev): -26.5554 -26.5554 -9.4693 -9.4693 -8.3945 -8.3945 -8.3042 -8.3042 -2.1145 -2.1145 -1.6100 -1.6100 1.0946 1.0946 1.1143 1.1143 1.1449 1.1449 1.2675 1.2675 1.4401 1.4401 1.4829 1.4829 1.5198 1.5198 1.6007 1.6007 1.6873 1.6873 1.8484 1.8484 3.6837 3.6837 4.0074 4.0074 5.4577 5.4577 6.0343 6.0343 6.5262 6.5262 7.0251 7.0251 10.4378 10.4378 10.5250 10.5250 11.8820 11.8820 12.5844 12.5844 k = 0.2115 0.3664 0.2887 ( 3554 PWs) bands (ev): -26.5559 -26.5559 -9.4670 -9.4670 -8.3916 -8.3916 -8.3018 -8.3018 -2.1447 -2.1447 -1.6245 -1.6245 1.0905 1.0905 1.1094 1.1094 1.1431 1.1431 1.2610 1.2610 1.4347 1.4347 1.4846 1.4846 1.5189 1.5189 1.6002 1.6002 1.6853 1.6853 1.8357 1.8357 3.7498 3.7498 4.0422 4.0422 5.5319 5.5319 6.0399 6.0399 6.5963 6.5963 7.0316 7.0316 10.4345 10.4345 10.5404 10.5404 11.8415 11.8415 12.5020 12.5020 k = 0.2051 0.3553 0.2887 ( 3558 PWs) bands (ev): -26.5565 -26.5565 -9.4645 -9.4645 -8.3886 -8.3886 -8.2993 -8.2993 -2.1751 -2.1751 -1.6407 -1.6407 1.0864 1.0864 1.1045 1.1045 1.1412 1.1412 1.2548 1.2548 1.4292 1.4292 1.4854 1.4854 1.5185 1.5185 1.6002 1.6002 1.6835 1.6835 1.8228 1.8228 3.8219 3.8219 4.0764 4.0764 5.6080 5.6080 6.0491 6.0491 6.6666 6.6666 7.0342 7.0342 10.4342 10.4342 10.5587 10.5587 11.8062 11.8062 12.4206 12.4206 k = 0.1987 0.3442 0.2887 ( 3558 PWs) bands (ev): -26.5571 -26.5571 -9.4619 -9.4619 -8.3855 -8.3855 -8.2967 -8.2967 -2.2055 -2.2055 -1.6584 -1.6584 1.0822 1.0822 1.0998 1.0998 1.1392 1.1392 1.2488 1.2488 1.4237 1.4237 1.4853 1.4853 1.5189 1.5189 1.6007 1.6007 1.6819 1.6819 1.8097 1.8097 3.8996 3.8996 4.1097 4.1097 5.6857 5.6857 6.0622 6.0622 6.7366 6.7366 7.0331 7.0331 10.4366 10.4366 10.5800 10.5800 11.7763 11.7763 12.3414 12.3414 k = 0.1923 0.3331 0.2887 ( 3558 PWs) bands (ev): -26.5577 -26.5577 -9.4593 -9.4593 -8.3823 -8.3823 -8.2940 -8.2940 -2.2358 -2.2358 -1.6776 -1.6776 1.0779 1.0779 1.0952 1.0952 1.1370 1.1370 1.2430 1.2430 1.4183 1.4183 1.4842 1.4842 1.5200 1.5200 1.6016 1.6016 1.6804 1.6804 1.7969 1.7969 3.9825 3.9825 4.1419 4.1419 5.7649 5.7649 6.0792 6.0792 6.8059 6.8059 7.0285 7.0285 10.4416 10.4416 10.6043 10.6043 11.7517 11.7517 12.2654 12.2654 k = 0.1859 0.3220 0.2887 ( 3548 PWs) bands (ev): -26.5583 -26.5583 -9.4565 -9.4565 -8.3791 -8.3791 -8.2911 -8.2911 -2.2660 -2.2660 -1.6980 -1.6980 1.0737 1.0737 1.0909 1.0909 1.1347 1.1347 1.2376 1.2376 1.4129 1.4129 1.4823 1.4823 1.5217 1.5217 1.6030 1.6030 1.6789 1.6789 1.7845 1.7845 4.0705 4.0705 4.1729 4.1729 5.8455 5.8455 6.1003 6.1003 6.8743 6.8743 7.0206 7.0206 10.4487 10.4487 10.6316 10.6316 11.7325 11.7325 12.1932 12.1932 k = 0.1795 0.3109 0.2887 ( 3554 PWs) bands (ev): -26.5590 -26.5590 -9.4537 -9.4537 -8.3759 -8.3759 -8.2881 -8.2881 -2.2960 -2.2960 -1.7196 -1.7196 1.0695 1.0695 1.0869 1.0869 1.1322 1.1322 1.2324 1.2324 1.4075 1.4075 1.4798 1.4798 1.5238 1.5238 1.6047 1.6047 1.6773 1.6773 1.7726 1.7726 4.1624 4.1624 4.2031 4.2031 5.9273 5.9273 6.1253 6.1253 6.9410 6.9410 7.0099 7.0099 10.4575 10.4575 10.6618 10.6618 11.7183 11.7183 12.1256 12.1256 k = 0.1731 0.2998 0.2887 ( 3566 PWs) bands (ev): -26.5596 -26.5596 -9.4509 -9.4509 -8.3727 -8.3727 -8.2848 -8.2848 -2.3257 -2.3257 -1.7422 -1.7422 1.0653 1.0653 1.0830 1.0830 1.1296 1.1296 1.2275 1.2275 1.4021 1.4021 1.4769 1.4769 1.5260 1.5260 1.6068 1.6068 1.6755 1.6755 1.7614 1.7614 4.2268 4.2268 4.2636 4.2636 6.0102 6.0102 6.1545 6.1545 6.9912 6.9912 7.0112 7.0112 10.4673 10.4673 10.6950 10.6950 11.7086 11.7086 12.0637 12.0637 k = 0.1667 0.2887 0.2887 ( 3566 PWs) bands (ev): -26.5603 -26.5603 -9.4480 -9.4480 -8.3695 -8.3695 -8.2814 -8.2814 -2.3550 -2.3550 -1.7656 -1.7656 1.0612 1.0612 1.0795 1.0795 1.1270 1.1270 1.2228 1.2228 1.3968 1.3968 1.4739 1.4739 1.5281 1.5281 1.6091 1.6091 1.6735 1.6735 1.7512 1.7512 4.2537 4.2537 4.3641 4.3641 6.0940 6.0940 6.1879 6.1879 6.9776 6.9776 7.0716 7.0716 10.4776 10.4776 10.7309 10.7309 11.7028 11.7028 12.0087 12.0087 k = 0.1603 0.2776 0.2887 ( 3566 PWs) bands (ev): -26.5610 -26.5610 -9.4452 -9.4452 -8.3664 -8.3664 -8.2777 -8.2777 -2.3839 -2.3839 -1.7897 -1.7897 1.0573 1.0573 1.0763 1.0763 1.1243 1.1243 1.2184 1.2184 1.3915 1.3915 1.4707 1.4707 1.5301 1.5301 1.6118 1.6118 1.6714 1.6714 1.7420 1.7420 4.2776 4.2776 4.4697 4.4697 6.1780 6.1780 6.2258 6.2258 6.9590 6.9590 7.1325 7.1325 10.4874 10.4874 10.7694 10.7694 11.6997 11.6997 11.9622 11.9622 k = 0.1538 0.2665 0.2887 ( 3554 PWs) bands (ev): -26.5617 -26.5617 -9.4423 -9.4423 -8.3635 -8.3635 -8.2738 -8.2738 -2.4122 -2.4122 -1.8143 -1.8143 1.0535 1.0535 1.0734 1.0734 1.1215 1.1215 1.2143 1.2143 1.3863 1.3863 1.4676 1.4676 1.5317 1.5317 1.6148 1.6148 1.6690 1.6690 1.7340 1.7340 4.2994 4.2994 4.5792 4.5792 6.2564 6.2564 6.2740 6.2740 6.9384 6.9384 7.1911 7.1911 10.4959 10.4959 10.8101 10.8101 11.6977 11.6977 11.9247 11.9247 k = 0.1474 0.2554 0.2887 ( 3554 PWs) bands (ev): -26.5624 -26.5624 -9.4395 -9.4395 -8.3607 -8.3607 -8.2696 -8.2696 -2.4399 -2.4399 -1.8393 -1.8393 1.0499 1.0499 1.0707 1.0707 1.1188 1.1188 1.2104 1.2104 1.3811 1.3811 1.4645 1.4645 1.5329 1.5329 1.6180 1.6180 1.6664 1.6664 1.7271 1.7271 4.3190 4.3190 4.6924 4.6924 6.3081 6.3081 6.3530 6.3530 6.9162 6.9162 7.2468 7.2468 10.5020 10.5020 10.8525 10.8525 11.6956 11.6956 11.8786 11.8786 k = 0.1410 0.2443 0.2887 ( 3562 PWs) bands (ev): -26.5630 -26.5630 -9.4367 -9.4367 -8.3581 -8.3581 -8.2652 -8.2652 -2.4669 -2.4669 -1.8646 -1.8646 1.0464 1.0464 1.0683 1.0683 1.1161 1.1161 1.2067 1.2067 1.3759 1.3759 1.4615 1.4615 1.5335 1.5335 1.6213 1.6213 1.6638 1.6638 1.7212 1.7212 4.3366 4.3366 4.8088 4.8088 6.3573 6.3573 6.4384 6.4384 6.8928 6.8928 7.2995 7.2995 10.5045 10.5045 10.8958 10.8958 11.6931 11.6931 11.8158 11.8158 k = 0.1346 0.2332 0.2887 ( 3562 PWs) bands (ev): -26.5637 -26.5637 -9.4339 -9.4339 -8.3557 -8.3557 -8.2606 -8.2606 -2.4932 -2.4932 -1.8899 -1.8899 1.0431 1.0431 1.0661 1.0661 1.1134 1.1134 1.2031 1.2031 1.3708 1.3708 1.4586 1.4586 1.5337 1.5337 1.6248 1.6248 1.6613 1.6613 1.7164 1.7164 4.3522 4.3522 4.9281 4.9281 6.4093 6.4093 6.5244 6.5244 6.8686 6.8686 7.3489 7.3489 10.5022 10.5022 10.9390 10.9390 11.6919 11.6919 11.7547 11.7547 k = 0.1282 0.2221 0.2887 ( 3552 PWs) bands (ev): -26.5644 -26.5644 -9.4312 -9.4312 -8.3535 -8.3535 -8.2557 -8.2557 -2.5187 -2.5187 -1.9150 -1.9150 1.0401 1.0401 1.0642 1.0642 1.1109 1.1109 1.1998 1.1998 1.3657 1.3657 1.4558 1.4558 1.5335 1.5335 1.6282 1.6282 1.6591 1.6591 1.7125 1.7125 4.3660 4.3660 5.0502 5.0502 6.4644 6.4644 6.6104 6.6104 6.8442 6.8442 7.3950 7.3950 10.4939 10.4939 10.9803 10.9803 11.6920 11.6920 11.7012 11.7012 k = 0.1218 0.2110 0.2887 ( 3544 PWs) bands (ev): -26.5651 -26.5651 -9.4286 -9.4286 -8.3515 -8.3515 -8.2507 -8.2507 -2.5433 -2.5433 -1.9400 -1.9400 1.0372 1.0372 1.0625 1.0625 1.1084 1.1084 1.1966 1.1966 1.3606 1.3606 1.4531 1.4531 1.5328 1.5328 1.6315 1.6315 1.6574 1.6574 1.7092 1.7092 4.3779 4.3779 5.1745 5.1745 6.5223 6.5223 6.6959 6.6959 6.8200 6.8200 7.4375 7.4375 10.4786 10.4786 11.0171 11.0171 11.6480 11.6480 11.7059 11.7059 k = 0.1154 0.1999 0.2887 ( 3540 PWs) bands (ev): -26.5657 -26.5657 -9.4261 -9.4261 -8.3496 -8.3496 -8.2456 -8.2456 -2.5669 -2.5669 -1.9646 -1.9646 1.0344 1.0344 1.0610 1.0610 1.1061 1.1061 1.1936 1.1936 1.3556 1.3556 1.4505 1.4505 1.5317 1.5317 1.6344 1.6344 1.6566 1.6566 1.7065 1.7065 4.3882 4.3882 5.3007 5.3007 6.5828 6.5828 6.7785 6.7785 6.7985 6.7985 7.4766 7.4766 10.4556 10.4556 11.0458 11.0458 11.6090 11.6090 11.7250 11.7250 k = 0.1090 0.1887 0.2887 ( 3550 PWs) bands (ev): -26.5663 -26.5663 -9.4236 -9.4236 -8.3480 -8.3480 -8.2403 -8.2403 -2.5896 -2.5896 -1.9886 -1.9886 1.0318 1.0318 1.0596 1.0596 1.1039 1.1039 1.1907 1.1907 1.3506 1.3506 1.4480 1.4480 1.5303 1.5303 1.6365 1.6365 1.6568 1.6568 1.7043 1.7043 4.3969 4.3969 5.4283 5.4283 6.6455 6.6455 6.7725 6.7725 6.8657 6.8657 7.5122 7.5122 10.4244 10.4244 11.0620 11.0620 11.5840 11.5840 11.7540 11.7540 k = 0.1026 0.1776 0.2887 ( 3550 PWs) bands (ev): -26.5670 -26.5670 -9.4213 -9.4213 -8.3465 -8.3465 -8.2350 -8.2350 -2.6113 -2.6113 -2.0121 -2.0121 1.0293 1.0293 1.0585 1.0585 1.1019 1.1019 1.1879 1.1879 1.3457 1.3457 1.4456 1.4456 1.5287 1.5287 1.6378 1.6378 1.6582 1.6582 1.7024 1.7024 4.4042 4.4042 5.5564 5.5564 6.7100 6.7100 6.7520 6.7520 6.9480 6.9480 7.5443 7.5443 10.3848 10.3848 11.0619 11.0619 11.5757 11.5757 11.7930 11.7930 k = 0.0962 0.1665 0.2887 ( 3550 PWs) bands (ev): -26.5676 -26.5676 -9.4191 -9.4191 -8.3452 -8.3452 -8.2297 -8.2297 -2.6318 -2.6318 -2.0347 -2.0347 1.0270 1.0270 1.0576 1.0576 1.1001 1.1001 1.1852 1.1852 1.3410 1.3410 1.4433 1.4433 1.5270 1.5270 1.6384 1.6384 1.6606 1.6606 1.7008 1.7008 4.4102 4.4102 5.6842 5.6842 6.7339 6.7339 6.7762 6.7762 7.0288 7.0288 7.5732 7.5732 10.3368 10.3368 11.0451 11.0451 11.5832 11.5832 11.8412 11.8412 k = 0.0897 0.1554 0.2887 ( 3552 PWs) bands (ev): -26.5681 -26.5681 -9.4170 -9.4170 -8.3440 -8.3440 -8.2245 -8.2245 -2.6513 -2.6513 -2.0565 -2.0565 1.0247 1.0247 1.0568 1.0568 1.0985 1.0985 1.1827 1.1827 1.3364 1.3364 1.4411 1.4411 1.5253 1.5253 1.6385 1.6385 1.6636 1.6636 1.6994 1.6994 4.4151 4.4151 5.8102 5.8102 6.7200 6.7200 6.8432 6.8432 7.1073 7.1073 7.5988 7.5988 10.2807 10.2807 11.0142 11.0142 11.6017 11.6017 11.8974 11.8974 k = 0.0833 0.1443 0.2887 ( 3532 PWs) bands (ev): -26.5687 -26.5687 -9.4151 -9.4151 -8.3430 -8.3430 -8.2193 -8.2193 -2.6696 -2.6696 -2.0772 -2.0772 1.0227 1.0227 1.0561 1.0561 1.0972 1.0972 1.1803 1.1803 1.3319 1.3319 1.4391 1.4391 1.5236 1.5236 1.6385 1.6385 1.6671 1.6671 1.6983 1.6983 4.4190 4.4190 5.9323 5.9323 6.7121 6.7121 6.9109 6.9109 7.1832 7.1832 7.6214 7.6214 10.2167 10.2167 10.9736 10.9736 11.6238 11.6238 11.9589 11.9589 k = 0.0769 0.1332 0.2887 ( 3544 PWs) bands (ev): -26.5692 -26.5692 -9.4132 -9.4132 -8.3421 -8.3421 -8.2143 -8.2143 -2.6866 -2.6866 -2.0969 -2.0969 1.0207 1.0207 1.0555 1.0555 1.0961 1.0961 1.1779 1.1779 1.3277 1.3277 1.4372 1.4372 1.5219 1.5219 1.6384 1.6384 1.6705 1.6705 1.6973 1.6973 4.4220 4.4220 6.0470 6.0470 6.7133 6.7133 6.9787 6.9787 7.2559 7.2559 7.6412 7.6412 10.1452 10.1452 10.9270 10.9270 11.6423 11.6423 12.0164 12.0164 k = 0.0705 0.1221 0.2887 ( 3548 PWs) bands (ev): -26.5697 -26.5697 -9.4116 -9.4116 -8.3413 -8.3413 -8.2094 -8.2094 -2.7025 -2.7025 -2.1153 -2.1153 1.0188 1.0188 1.0550 1.0550 1.0952 1.0952 1.1756 1.1756 1.3236 1.3236 1.4353 1.4353 1.5204 1.5204 1.6383 1.6383 1.6740 1.6740 1.6965 1.6965 4.4243 4.4243 6.1494 6.1494 6.7284 6.7284 7.0460 7.0460 7.3250 7.3250 7.6583 7.6583 10.0665 10.0665 10.8776 10.8776 11.6515 11.6515 11.9686 11.9686 k = 0.0641 0.1110 0.2887 ( 3548 PWs) bands (ev): -26.5701 -26.5701 -9.4100 -9.4100 -8.3407 -8.3407 -8.2048 -8.2048 -2.7170 -2.7170 -2.1324 -2.1324 1.0170 1.0170 1.0546 1.0546 1.0945 1.0945 1.1735 1.1735 1.3198 1.3198 1.4337 1.4337 1.5190 1.5190 1.6382 1.6382 1.6772 1.6772 1.6959 1.6959 4.4260 4.4260 6.2330 6.2330 6.7633 6.7633 7.1122 7.1122 7.3897 7.3897 7.6730 7.6730 9.9813 9.9813 10.8273 10.8273 11.6485 11.6485 11.8860 11.8860 k = 0.0577 0.0999 0.2887 ( 3548 PWs) bands (ev): -26.5705 -26.5705 -9.4086 -9.4086 -8.3401 -8.3401 -8.2005 -8.2005 -2.7303 -2.7303 -2.1482 -2.1482 1.0154 1.0154 1.0542 1.0542 1.0940 1.0940 1.1715 1.1715 1.3163 1.3163 1.4322 1.4322 1.5177 1.5177 1.6382 1.6382 1.6801 1.6801 1.6955 1.6955 4.4271 4.4271 6.2931 6.2931 6.8220 6.8220 7.1767 7.1767 7.4496 7.4496 7.6853 7.6853 9.8906 9.8906 10.7777 10.7777 11.6337 11.6337 11.8035 11.8035 k = 0.0513 0.0888 0.2887 ( 3544 PWs) bands (ev): -26.5709 -26.5709 -9.4074 -9.4074 -8.3396 -8.3396 -8.1965 -8.1965 -2.7422 -2.7422 -2.1625 -2.1625 1.0139 1.0139 1.0539 1.0539 1.0937 1.0937 1.1696 1.1696 1.3131 1.3131 1.4308 1.4308 1.5166 1.5166 1.6382 1.6382 1.6826 1.6826 1.6953 1.6953 4.4279 4.4279 6.3305 6.3305 6.9029 6.9029 7.2387 7.2387 7.5040 7.5040 7.6955 7.6955 9.7956 9.7956 10.7301 10.7301 11.6101 11.6101 11.7274 11.7274 k = 0.0449 0.0777 0.2887 ( 3540 PWs) bands (ev): -26.5712 -26.5712 -9.4063 -9.4063 -8.3392 -8.3392 -8.1929 -8.1929 -2.7528 -2.7528 -2.1753 -2.1753 1.0126 1.0126 1.0536 1.0536 1.0936 1.0936 1.1678 1.1678 1.3103 1.3103 1.4296 1.4296 1.5156 1.5156 1.6382 1.6382 1.6847 1.6847 1.6955 1.6955 4.4283 4.4283 6.3509 6.3509 6.9989 6.9989 7.2975 7.2975 7.5525 7.5525 7.7037 7.7037 9.6981 9.6981 10.6856 10.6856 11.5812 11.5812 11.6598 11.6598 k = 0.0385 0.0666 0.2887 ( 3548 PWs) bands (ev): -26.5715 -26.5715 -9.4053 -9.4053 -8.3388 -8.3388 -8.1897 -8.1897 -2.7620 -2.7620 -2.1865 -2.1865 1.0114 1.0114 1.0533 1.0533 1.0936 1.0936 1.1662 1.1662 1.3078 1.3078 1.4285 1.4285 1.5147 1.5147 1.6382 1.6382 1.6861 1.6861 1.6960 1.6960 4.4286 4.4286 6.3606 6.3606 7.1020 7.1020 7.3521 7.3521 7.5945 7.5945 7.7098 7.7098 9.6003 9.6003 10.6449 10.6449 11.5499 11.5499 11.6017 11.6017 k = 0.0321 0.0555 0.2887 ( 3552 PWs) bands (ev): -26.5718 -26.5718 -9.4045 -9.4045 -8.3385 -8.3385 -8.1869 -8.1869 -2.7698 -2.7698 -2.1961 -2.1961 1.0104 1.0104 1.0531 1.0531 1.0937 1.0937 1.1647 1.1647 1.3056 1.3056 1.4275 1.4275 1.5140 1.5140 1.6383 1.6383 1.6869 1.6869 1.6968 1.6968 4.4286 4.4286 6.3644 6.3644 7.2054 7.2054 7.4016 7.4016 7.6295 7.6295 7.7141 7.7141 9.5053 9.5053 10.6090 10.6090 11.5189 11.5189 11.5535 11.5535 k = 0.0256 0.0444 0.2887 ( 3552 PWs) bands (ev): -26.5720 -26.5720 -9.4038 -9.4038 -8.3383 -8.3383 -8.1846 -8.1846 -2.7762 -2.7762 -2.2040 -2.2040 1.0096 1.0096 1.0529 1.0529 1.0938 1.0938 1.1635 1.1635 1.3039 1.3039 1.4268 1.4268 1.5135 1.5135 1.6383 1.6383 1.6874 1.6874 1.6977 1.6977 4.4286 4.4286 6.3650 6.3650 7.3032 7.3032 7.4450 7.4450 7.6574 7.6574 7.7163 7.7163 9.4167 9.4167 10.5786 10.5786 11.4899 11.4899 11.5155 11.5155 k = 0.0192 0.0333 0.2887 ( 3562 PWs) bands (ev): -26.5722 -26.5722 -9.4033 -9.4033 -8.3381 -8.3381 -8.1828 -8.1828 -2.7813 -2.7813 -2.2102 -2.2102 1.0089 1.0089 1.0527 1.0527 1.0940 1.0940 1.1625 1.1625 1.3025 1.3025 1.4262 1.4262 1.5130 1.5130 1.6384 1.6384 1.6876 1.6876 1.6986 1.6986 4.4285 4.4285 6.3643 6.3643 7.3894 7.3894 7.4815 7.4815 7.6780 7.6780 7.7167 7.7167 9.3393 9.3393 10.5543 10.5543 11.4647 11.4647 11.4873 11.4873 k = 0.0128 0.0222 0.2887 ( 3562 PWs) bands (ev): -26.5723 -26.5723 -9.4029 -9.4029 -8.3380 -8.3380 -8.1815 -8.1815 -2.7848 -2.7848 -2.2146 -2.2146 1.0084 1.0084 1.0526 1.0526 1.0941 1.0941 1.1618 1.1618 1.3015 1.3015 1.4257 1.4257 1.5127 1.5127 1.6384 1.6384 1.6877 1.6877 1.6993 1.6993 4.4284 4.4284 6.3632 6.3632 7.4572 7.4572 7.5111 7.5111 7.6907 7.6907 7.7158 7.7158 9.2781 9.2781 10.5365 10.5365 11.4454 11.4454 11.4677 11.4677 k = 0.0064 0.0111 0.2887 ( 3568 PWs) bands (ev): -26.5723 -26.5723 -9.4027 -9.4027 -8.3379 -8.3379 -8.1807 -8.1807 -2.7870 -2.7870 -2.2173 -2.2173 1.0081 1.0081 1.0525 1.0525 1.0942 1.0942 1.1614 1.1614 1.3009 1.3009 1.4255 1.4255 1.5125 1.5125 1.6384 1.6384 1.6877 1.6877 1.6997 1.6997 4.4284 4.4284 6.3623 6.3623 7.4978 7.4978 7.5348 7.5348 7.6954 7.6954 7.7156 7.7156 9.2386 9.2386 10.5257 10.5257 11.4335 11.4335 11.4561 11.4561 k = 0.0000 0.0000 0.2887 ( 3568 PWs) bands (ev): -26.5724 -26.5724 -9.4027 -9.4027 -8.3379 -8.3379 -8.1804 -8.1804 -2.7877 -2.7877 -2.2182 -2.2182 1.0080 1.0080 1.0525 1.0525 1.0942 1.0942 1.1612 1.1612 1.3007 1.3007 1.4254 1.4254 1.5125 1.5125 1.6384 1.6384 1.6877 1.6877 1.6999 1.6999 4.4284 4.4284 6.3620 6.3620 7.5096 7.5096 7.5458 7.5458 7.6956 7.6956 7.7160 7.7160 9.2250 9.2250 10.5220 10.5220 11.4294 11.4294 11.4523 11.4523 k = 0.5000 0.2887 0.2887 ( 3608 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4337 -8.4337 -8.2777 -8.2777 -2.0179 -2.0179 -1.4882 -1.4882 1.0937 1.0937 1.1253 1.1253 1.1932 1.1932 1.3270 1.3270 1.4420 1.4420 1.4752 1.4752 1.5309 1.5309 1.6194 1.6194 1.7708 1.7708 1.7998 1.7998 3.1664 3.1664 3.4897 3.4897 5.6335 5.6335 5.8369 5.8369 7.3239 7.3239 7.3834 7.3834 9.5096 9.5096 10.1943 10.1943 10.8907 10.8907 11.2045 11.2045 k = 0.5000 0.2887 0.2761 ( 3574 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4337 -8.4337 -8.2777 -8.2777 -2.0174 -2.0174 -1.4888 -1.4888 1.0939 1.0939 1.1253 1.1253 1.1933 1.1933 1.3270 1.3270 1.4421 1.4421 1.4752 1.4752 1.5310 1.5310 1.6194 1.6194 1.7707 1.7707 1.8000 1.8000 3.1643 3.1643 3.4929 3.4929 5.6340 5.6340 5.8378 5.8378 7.3187 7.3187 7.3807 7.3807 9.5085 9.5085 10.2026 10.2026 10.8833 10.8833 11.2177 11.2177 k = 0.5000 0.2887 0.2636 ( 3574 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4337 -8.4337 -8.2777 -8.2777 -2.0159 -2.0159 -1.4907 -1.4907 1.0943 1.0943 1.1253 1.1253 1.1935 1.1935 1.3269 1.3269 1.4423 1.4423 1.4751 1.4751 1.5312 1.5312 1.6191 1.6191 1.7703 1.7703 1.8004 1.8004 3.1580 3.1580 3.5020 3.5020 5.6354 5.6354 5.8405 5.8405 7.3027 7.3027 7.3732 7.3732 9.5050 9.5050 10.2270 10.2270 10.8647 10.8647 11.2535 11.2535 k = 0.5000 0.2887 0.2510 ( 3574 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4337 -8.4337 -8.2777 -8.2777 -2.0134 -2.0134 -1.4938 -1.4938 1.0951 1.0951 1.1252 1.1252 1.1937 1.1937 1.3267 1.3267 1.4426 1.4426 1.4749 1.4749 1.5314 1.5314 1.6187 1.6187 1.7695 1.7695 1.8009 1.8009 3.1482 3.1482 3.5166 3.5166 5.6377 5.6377 5.8451 5.8451 7.2754 7.2754 7.3622 7.3622 9.4993 9.4993 10.2668 10.2668 10.8416 10.8416 11.3053 11.3053 k = 0.5000 0.2887 0.2385 ( 3574 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4337 -8.4337 -8.2777 -8.2777 -2.0098 -2.0098 -1.4982 -1.4982 1.0960 1.0960 1.1251 1.1251 1.1940 1.1940 1.3265 1.3265 1.4430 1.4430 1.4745 1.4745 1.5318 1.5318 1.6182 1.6182 1.7685 1.7685 1.8015 1.8015 3.1356 3.1356 3.5358 3.5358 5.6408 5.6408 5.8515 5.8515 7.2372 7.2372 7.3487 7.3487 9.4915 9.4915 10.3207 10.3207 10.8192 10.8192 11.3675 11.3675 k = 0.5000 0.2887 0.2259 ( 3578 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4338 -8.4338 -8.2777 -8.2777 -2.0053 -2.0053 -1.5038 -1.5038 1.0972 1.0972 1.1250 1.1250 1.1944 1.1944 1.3261 1.3261 1.4434 1.4434 1.4742 1.4742 1.5323 1.5323 1.6175 1.6175 1.7674 1.7674 1.8023 1.8023 3.1211 3.1211 3.5588 3.5588 5.6448 5.6448 5.8596 5.8596 7.1893 7.1893 7.3329 7.3329 9.4815 9.4815 10.3872 10.3872 10.8006 10.8006 11.4366 11.4366 k = 0.5000 0.2887 0.2134 ( 3578 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4338 -8.4338 -8.2777 -8.2777 -1.9999 -1.9999 -1.5105 -1.5105 1.0986 1.0986 1.1249 1.1249 1.1949 1.1949 1.3258 1.3258 1.4440 1.4440 1.4737 1.4737 1.5328 1.5328 1.6166 1.6166 1.7660 1.7660 1.8032 1.8032 3.1053 3.1053 3.5849 3.5849 5.6494 5.6494 5.8693 5.8693 7.1333 7.1333 7.3148 7.3148 9.4696 9.4696 10.4646 10.4646 10.7876 10.7876 11.5106 11.5106 k = 0.5000 0.2887 0.2008 ( 3574 PWs) bands (ev): -26.5531 -26.5531 -9.4849 -9.4849 -8.4338 -8.4338 -8.2776 -8.2776 -1.9935 -1.9935 -1.5182 -1.5182 1.1001 1.1001 1.1249 1.1249 1.1955 1.1955 1.3254 1.3254 1.4446 1.4446 1.4732 1.4732 1.5334 1.5334 1.6157 1.6157 1.7646 1.7646 1.8041 1.8041 3.0888 3.0888 3.6136 3.6136 5.6546 5.6546 5.8806 5.8806 7.0710 7.0710 7.2945 7.2945 9.4559 9.4559 10.5511 10.5511 10.7810 10.7810 11.5878 11.5878 k = 0.5000 0.2887 0.1883 ( 3574 PWs) bands (ev): -26.5531 -26.5531 -9.4850 -9.4850 -8.4339 -8.4339 -8.2776 -8.2776 -1.9862 -1.9862 -1.5271 -1.5271 1.1017 1.1017 1.1249 1.1249 1.1962 1.1962 1.3249 1.3249 1.4453 1.4453 1.4727 1.4727 1.5341 1.5341 1.6146 1.6146 1.7630 1.7630 1.8051 1.8051 3.0718 3.0718 3.6444 3.6444 5.6604 5.6604 5.8934 5.8934 7.0039 7.0039 7.2722 7.2722 9.4406 9.4406 10.6448 10.6448 10.7813 10.7813 11.6670 11.6670 k = 0.5000 0.2887 0.1757 ( 3566 PWs) bands (ev): -26.5531 -26.5531 -9.4850 -9.4850 -8.4339 -8.4339 -8.2776 -8.2776 -1.9781 -1.9781 -1.5368 -1.5368 1.1034 1.1034 1.1250 1.1250 1.1969 1.1969 1.3244 1.3244 1.4461 1.4461 1.4721 1.4721 1.5348 1.5348 1.6135 1.6135 1.7614 1.7614 1.8061 1.8061 3.0549 3.0549 3.6768 3.6768 5.6665 5.6665 5.9076 5.9076 6.9335 6.9335 7.2481 7.2481 9.4240 9.4240 10.7431 10.7431 10.7895 10.7895 11.7474 11.7474 k = 0.5000 0.2887 0.1632 ( 3564 PWs) bands (ev): -26.5531 -26.5531 -9.4850 -9.4850 -8.4339 -8.4339 -8.2776 -8.2776 -1.9693 -1.9693 -1.5474 -1.5474 1.1050 1.1050 1.1252 1.1252 1.1978 1.1978 1.3239 1.3239 1.4470 1.4470 1.4714 1.4714 1.5356 1.5356 1.6122 1.6122 1.7598 1.7598 1.8071 1.8071 3.0382 3.0382 3.7105 3.7105 5.6729 5.6729 5.9229 5.9229 6.8612 6.8612 7.2226 7.2226 9.4064 9.4064 10.8006 10.8006 10.8485 10.8485 11.8283 11.8283 k = 0.5000 0.2887 0.1506 ( 3552 PWs) bands (ev): -26.5531 -26.5531 -9.4850 -9.4850 -8.4340 -8.4340 -8.2776 -8.2776 -1.9597 -1.9597 -1.5588 -1.5588 1.1065 1.1065 1.1256 1.1256 1.1986 1.1986 1.3233 1.3233 1.4479 1.4479 1.4708 1.4708 1.5365 1.5365 1.6109 1.6109 1.7582 1.7582 1.8081 1.8081 3.0219 3.0219 3.7449 3.7449 5.6795 5.6795 5.9392 5.9392 6.7882 6.7882 7.1959 7.1959 9.3882 9.3882 10.8220 10.8220 10.9514 10.9514 11.9094 11.9094 k = 0.5000 0.2887 0.1381 ( 3548 PWs) bands (ev): -26.5531 -26.5531 -9.4850 -9.4850 -8.4340 -8.4340 -8.2775 -8.2775 -1.9494 -1.9494 -1.5708 -1.5708 1.1078 1.1078 1.1261 1.1261 1.1996 1.1996 1.3227 1.3227 1.4489 1.4489 1.4701 1.4701 1.5373 1.5373 1.6095 1.6095 1.7566 1.7566 1.8090 1.8090 3.0062 3.0062 3.7798 3.7798 5.6861 5.6861 5.9562 5.9562 6.7156 6.7156 7.1686 7.1686 9.3699 9.3699 10.8487 10.8487 11.0537 11.0537 11.9908 11.9908 k = 0.5000 0.2887 0.1255 ( 3554 PWs) bands (ev): -26.5531 -26.5531 -9.4850 -9.4850 -8.4341 -8.4341 -8.2775 -8.2775 -1.9386 -1.9386 -1.5833 -1.5833 1.1088 1.1088 1.1268 1.1268 1.2005 1.2005 1.3221 1.3221 1.4498 1.4498 1.4694 1.4694 1.5381 1.5381 1.6081 1.6081 1.7550 1.7550 1.8099 1.8099 2.9914 2.9914 3.8147 3.8147 5.6926 5.6926 5.9738 5.9738 6.6445 6.6445 7.1409 7.1409 9.3517 9.3517 10.8807 10.8807 11.1516 11.1516 12.0734 12.0734 k = 0.5000 0.2887 0.1130 ( 3558 PWs) bands (ev): -26.5531 -26.5531 -9.4850 -9.4850 -8.4341 -8.4341 -8.2775 -8.2775 -1.9273 -1.9273 -1.5963 -1.5963 1.1097 1.1097 1.1276 1.1276 1.2014 1.2014 1.3216 1.3216 1.4508 1.4508 1.4686 1.4686 1.5389 1.5389 1.6067 1.6067 1.7535 1.7535 1.8108 1.8108 2.9775 2.9775 3.8490 3.8490 5.6990 5.6990 5.9917 5.9917 6.5759 6.5759 7.1134 7.1134 9.3341 9.3341 10.9176 10.9176 11.2420 11.2420 12.1587 12.1587 k = 0.5000 0.2887 0.1004 ( 3560 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4342 -8.4342 -8.2775 -8.2775 -1.9158 -1.9158 -1.6095 -1.6095 1.1103 1.1103 1.1285 1.1285 1.2023 1.2023 1.3210 1.3210 1.4517 1.4517 1.4680 1.4680 1.5398 1.5398 1.6053 1.6053 1.7522 1.7522 1.8115 1.8115 2.9647 2.9647 3.8822 3.8822 5.7051 5.7051 6.0094 6.0094 6.5109 6.5109 7.0865 7.0865 9.3175 9.3175 10.9585 10.9585 11.3211 11.3211 12.2486 12.2486 k = 0.5000 0.2887 0.0879 ( 3556 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4342 -8.4342 -8.2774 -8.2774 -1.9040 -1.9040 -1.6227 -1.6227 1.1107 1.1107 1.1296 1.1296 1.2032 1.2032 1.3205 1.3205 1.4527 1.4527 1.4673 1.4673 1.5405 1.5405 1.6040 1.6040 1.7509 1.7509 1.8122 1.8122 2.9532 2.9532 3.9138 3.9138 5.7108 5.7108 6.0267 6.0267 6.4504 6.4504 7.0608 7.0608 9.3021 9.3021 11.0027 11.0027 11.3859 11.3859 12.3454 12.3454 k = 0.5000 0.2887 0.0753 ( 3554 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4342 -8.4342 -8.2774 -8.2774 -1.8924 -1.8924 -1.6357 -1.6357 1.1110 1.1110 1.1306 1.1306 1.2040 1.2040 1.3200 1.3200 1.4536 1.4536 1.4667 1.4667 1.5413 1.5413 1.6028 1.6028 1.7498 1.7498 1.8129 1.8129 2.9429 2.9429 3.9431 3.9431 5.7160 5.7160 6.0431 6.0431 6.3954 6.3954 7.0368 7.0368 9.2882 9.2882 11.0492 11.0492 11.4342 11.4342 12.4509 12.4509 k = 0.5000 0.2887 0.0628 ( 3558 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2774 -8.2774 -1.8810 -1.8810 -1.6482 -1.6482 1.1111 1.1111 1.1315 1.1315 1.2048 1.2048 1.3196 1.3196 1.4544 1.4544 1.4661 1.4661 1.5419 1.5419 1.6017 1.6017 1.7488 1.7488 1.8134 1.8134 2.9341 2.9341 3.9695 3.9695 5.7207 5.7207 6.0582 6.0582 6.3468 6.3468 7.0152 7.0152 9.2760 9.2760 11.0967 11.0967 11.4654 11.4654 12.5658 12.5659 k = 0.5000 0.2887 0.0502 ( 3554 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2774 -8.2774 -1.8705 -1.8705 -1.6598 -1.6598 1.1112 1.1112 1.1324 1.1324 1.2054 1.2054 1.3192 1.3192 1.4551 1.4551 1.4655 1.4655 1.5425 1.5425 1.6008 1.6008 1.7480 1.7480 1.8139 1.8139 2.9267 2.9267 3.9922 3.9922 5.7247 5.7247 6.0714 6.0714 6.3055 6.3055 6.9964 6.9964 9.2658 9.2658 11.1440 11.1440 11.4807 11.4807 12.6897 12.6897 k = 0.5000 0.2887 0.0377 ( 3554 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2774 -8.2774 -1.8611 -1.8611 -1.6699 -1.6699 1.1113 1.1113 1.1331 1.1331 1.2059 1.2059 1.3189 1.3189 1.4558 1.4558 1.4651 1.4651 1.5430 1.5430 1.6000 1.6000 1.7473 1.7473 1.8142 1.8142 2.9209 2.9209 4.0107 4.0107 5.7280 5.7280 6.0823 6.0823 6.2724 6.2724 6.9811 6.9811 9.2577 9.2577 11.1888 11.1888 11.4827 11.4827 12.8205 12.8205 k = 0.5000 0.2887 0.0251 ( 3550 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2774 -8.2774 -1.8536 -1.8536 -1.6780 -1.6780 1.1113 1.1113 1.1336 1.1336 1.2064 1.2064 1.3187 1.3187 1.4563 1.4563 1.4647 1.4647 1.5433 1.5433 1.5994 1.5994 1.7469 1.7469 1.8145 1.8145 2.9167 2.9167 4.0243 4.0243 5.7304 5.7304 6.0905 6.0905 6.2481 6.2481 6.9698 6.9698 9.2519 9.2519 11.2281 11.2281 11.4758 11.4758 12.9536 12.9536 k = 0.5000 0.2887 0.0126 ( 3556 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2774 -8.2774 -1.8487 -1.8487 -1.6832 -1.6832 1.1113 1.1113 1.1339 1.1339 1.2066 1.2066 1.3186 1.3186 1.4566 1.4566 1.4645 1.4645 1.5435 1.5435 1.5991 1.5991 1.7465 1.7465 1.8146 1.8146 2.9142 2.9142 4.0327 4.0327 5.7319 5.7319 6.0955 6.0955 6.2333 6.2333 6.9628 6.9628 9.2483 9.2483 11.2567 11.2567 11.4662 11.4662 13.0763 13.0763 k = 0.5000 0.2887-0.0000 ( 3562 PWs) bands (ev): -26.5531 -26.5531 -9.4851 -9.4851 -8.4343 -8.4343 -8.2774 -8.2774 -1.8470 -1.8470 -1.6850 -1.6850 1.1113 1.1113 1.1340 1.1340 1.2067 1.2067 1.3185 1.3185 1.4567 1.4567 1.4644 1.4644 1.5436 1.5436 1.5989 1.5989 1.7464 1.7464 1.8147 1.8147 2.9134 2.9134 4.0355 4.0355 5.7324 5.7324 6.0973 6.0973 6.2283 6.2283 6.9604 6.9604 9.2471 9.2471 11.2676 11.2676 11.4615 11.4615 13.1390 13.1390 k = 0.3333 0.5774-0.0000 ( 3540 PWs) bands (ev): -26.5506 -26.5506 -9.4884 -9.4884 -8.4139 -8.4139 -8.3333 -8.3333 -1.6671 -1.6671 -1.6477 -1.6477 1.1321 1.1321 1.1447 1.1447 1.1653 1.1653 1.3585 1.3585 1.4416 1.4416 1.5205 1.5205 1.5276 1.5276 1.6129 1.6129 1.7877 1.7877 1.9343 1.9343 3.4839 3.4839 3.5071 3.5071 4.2322 4.2322 6.2171 6.2171 6.2537 6.2537 6.3723 6.3723 11.6906 11.6906 11.7297 11.7297 11.7317 11.7317 12.2069 12.2069 k = 0.3333 0.5774 0.0126 ( 3564 PWs) bands (ev): -26.5507 -26.5507 -9.4884 -9.4884 -8.4139 -8.4139 -8.3333 -8.3333 -1.6672 -1.6672 -1.6478 -1.6478 1.1320 1.1320 1.1447 1.1447 1.1653 1.1653 1.3584 1.3584 1.4415 1.4415 1.5204 1.5204 1.5275 1.5275 1.6129 1.6129 1.7876 1.7876 1.9342 1.9342 3.4840 3.4840 3.5071 3.5071 4.2337 4.2337 6.2180 6.2180 6.2545 6.2545 6.3696 6.3696 11.6947 11.6947 11.7150 11.7150 11.7171 11.7171 12.2216 12.2216 k = 0.3333 0.5774 0.0251 ( 3570 PWs) bands (ev): -26.5507 -26.5507 -9.4884 -9.4884 -8.4139 -8.4139 -8.3333 -8.3333 -1.6673 -1.6673 -1.6479 -1.6479 1.1321 1.1321 1.1447 1.1447 1.1653 1.1653 1.3583 1.3583 1.4414 1.4414 1.5203 1.5203 1.5274 1.5274 1.6128 1.6128 1.7873 1.7873 1.9341 1.9341 3.4842 3.4842 3.5070 3.5070 4.2380 4.2380 6.2207 6.2207 6.2568 6.2568 6.3615 6.3615 11.6756 11.6756 11.6771 11.6771 11.7076 11.7076 12.2610 12.2610 k = 0.3333 0.5774 0.0377 ( 3573 PWs) bands (ev): -26.5507 -26.5507 -9.4884 -9.4884 -8.4138 -8.4138 -8.3333 -8.3333 -1.6675 -1.6675 -1.6482 -1.6482 1.1322 1.1322 1.1449 1.1449 1.1654 1.1654 1.3581 1.3581 1.4413 1.4413 1.5203 1.5203 1.5273 1.5273 1.6127 1.6127 1.7869 1.7869 1.9338 1.9338 3.4846 3.4846 3.5069 3.5069 4.2451 4.2451 6.2252 6.2252 6.2605 6.2605 6.3483 6.3483 11.6202 11.6202 11.6212 11.6212 11.7283 11.7283 12.3165 12.3165 k = 0.3333 0.5774 0.0502 ( 3573 PWs) bands (ev): -26.5507 -26.5507 -9.4884 -9.4884 -8.4138 -8.4138 -8.3333 -8.3333 -1.6678 -1.6678 -1.6486 -1.6486 1.1323 1.1323 1.1451 1.1451 1.1656 1.1656 1.3579 1.3579 1.4412 1.4412 1.5202 1.5202 1.5271 1.5271 1.6125 1.6125 1.7862 1.7862 1.9335 1.9335 3.4851 3.4851 3.5067 3.5067 4.2550 4.2550 6.2313 6.2313 6.2658 6.2658 6.3301 6.3301 11.5558 11.5558 11.5558 11.5558 11.7571 11.7571 12.3809 12.3809 k = 0.3333 0.5774 0.0628 ( 3573 PWs) bands (ev): -26.5507 -26.5507 -9.4884 -9.4884 -8.4138 -8.4138 -8.3333 -8.3333 -1.6682 -1.6682 -1.6491 -1.6491 1.1324 1.1324 1.1454 1.1454 1.1658 1.1658 1.3576 1.3576 1.4411 1.4411 1.5200 1.5200 1.5269 1.5269 1.6123 1.6123 1.7855 1.7855 1.9331 1.9331 3.4858 3.4858 3.5065 3.5065 4.2677 4.2677 6.2386 6.2386 6.2723 6.2723 6.3075 6.3075 11.4855 11.4855 11.4868 11.4868 11.7936 11.7936 12.4498 12.4498 k = 0.3333 0.5774 0.0753 ( 3570 PWs) bands (ev): -26.5507 -26.5507 -9.4884 -9.4884 -8.4138 -8.4138 -8.3333 -8.3333 -1.6687 -1.6687 -1.6497 -1.6497 1.1326 1.1326 1.1457 1.1457 1.1660 1.1660 1.3572 1.3572 1.4410 1.4410 1.5199 1.5199 1.5267 1.5267 1.6121 1.6121 1.7846 1.7846 1.9327 1.9327 3.4865 3.4865 3.5062 3.5062 4.2829 4.2829 6.2459 6.2459 6.2802 6.2802 6.2821 6.2821 11.4128 11.4128 11.4157 11.4157 11.8374 11.8374 12.5205 12.5205 k = 0.3333 0.5774 0.0879 ( 3561 PWs) bands (ev): -26.5506 -26.5506 -9.4884 -9.4884 -8.4137 -8.4137 -8.3333 -8.3333 -1.6692 -1.6692 -1.6504 -1.6504 1.1328 1.1328 1.1461 1.1461 1.1663 1.1663 1.3568 1.3568 1.4408 1.4408 1.5198 1.5198 1.5264 1.5264 1.6119 1.6119 1.7835 1.7835 1.9322 1.9322 3.4874 3.4874 3.5059 3.5059 4.3007 4.3007 6.2396 6.2396 6.2677 6.2677 6.2892 6.2892 11.3395 11.3395 11.3440 11.3440 11.8879 11.8879 12.5913 12.5913 k = 0.3333 0.5774 0.1004 ( 3552 PWs) bands (ev): -26.5506 -26.5506 -9.4883 -9.4883 -8.4137 -8.4137 -8.3333 -8.3333 -1.6697 -1.6697 -1.6511 -1.6511 1.1330 1.1330 1.1465 1.1465 1.1667 1.1667 1.3564 1.3564 1.4407 1.4407 1.5196 1.5196 1.5261 1.5261 1.6116 1.6116 1.7824 1.7824 1.9316 1.9316 3.4883 3.4883 3.5056 3.5056 4.3207 4.3207 6.2086 6.2086 6.2755 6.2755 6.2991 6.2991 11.2665 11.2665 11.2730 11.2730 11.9448 11.9448 12.6608 12.6608 k = 0.3333 0.5774 0.1130 ( 3552 PWs) bands (ev): -26.5506 -26.5506 -9.4883 -9.4883 -8.4136 -8.4136 -8.3333 -8.3333 -1.6703 -1.6703 -1.6519 -1.6519 1.1332 1.1332 1.1469 1.1469 1.1670 1.1670 1.3558 1.3558 1.4406 1.4406 1.5194 1.5194 1.5258 1.5258 1.6113 1.6113 1.7812 1.7812 1.9310 1.9310 3.4893 3.4893 3.5052 3.5052 4.3429 4.3429 6.1713 6.1713 6.2877 6.2877 6.3099 6.3099 11.1949 11.1949 11.2034 11.2034 12.0074 12.0074 12.7282 12.7282 k = 0.3333 0.5774 0.1255 ( 3558 PWs) bands (ev): -26.5506 -26.5506 -9.4883 -9.4883 -8.4136 -8.4136 -8.3333 -8.3333 -1.6709 -1.6709 -1.6527 -1.6527 1.1334 1.1334 1.1474 1.1474 1.1673 1.1673 1.3553 1.3553 1.4404 1.4404 1.5192 1.5192 1.5254 1.5254 1.6110 1.6110 1.7800 1.7800 1.9304 1.9304 3.4904 3.4904 3.5049 3.5049 4.3671 4.3671 6.1310 6.1310 6.3012 6.3012 6.3214 6.3214 11.1253 11.1253 11.1359 11.1359 12.0750 12.0750 12.7924 12.7924 k = 0.3333 0.5774 0.1381 ( 3564 PWs) bands (ev): -26.5506 -26.5506 -9.4883 -9.4883 -8.4135 -8.4135 -8.3333 -8.3333 -1.6716 -1.6716 -1.6535 -1.6535 1.1337 1.1337 1.1478 1.1478 1.1676 1.1676 1.3546 1.3546 1.4402 1.4402 1.5190 1.5190 1.5251 1.5251 1.6107 1.6107 1.7787 1.7787 1.9297 1.9297 3.4914 3.4914 3.5045 3.5045 4.3929 4.3929 6.0885 6.0885 6.3155 6.3155 6.3333 6.3333 11.0583 11.0583 11.0710 11.0710 12.1471 12.1471 12.8527 12.8527 k = 0.3333 0.5774 0.1506 ( 3564 PWs) bands (ev): -26.5506 -26.5506 -9.4883 -9.4883 -8.4135 -8.4135 -8.3333 -8.3333 -1.6722 -1.6722 -1.6544 -1.6544 1.1339 1.1339 1.1483 1.1483 1.1680 1.1680 1.3540 1.3540 1.4401 1.4401 1.5188 1.5188 1.5247 1.5247 1.6104 1.6104 1.7774 1.7774 1.9290 1.9290 3.4925 3.4925 3.5041 3.5041 4.4201 4.4201 6.0448 6.0448 6.3301 6.3301 6.3454 6.3454 10.9944 10.9944 11.0092 11.0092 12.2230 12.2230 12.9083 12.9083 k = 0.3333 0.5774 0.1632 ( 3561 PWs) bands (ev): -26.5506 -26.5506 -9.4883 -9.4883 -8.4134 -8.4134 -8.3333 -8.3333 -1.6729 -1.6729 -1.6552 -1.6552 1.1341 1.1341 1.1487 1.1487 1.1683 1.1683 1.3534 1.3534 1.4400 1.4400 1.5186 1.5186 1.5243 1.5243 1.6101 1.6101 1.7761 1.7761 1.9284 1.9284 3.4936 3.4936 3.5037 3.5037 4.4483 4.4483 6.0004 6.0004 6.3448 6.3448 6.3576 6.3576 10.9341 10.9341 10.9511 10.9511 12.3018 12.3018 12.9587 12.9587 k = 0.3333 0.5774 0.1757 ( 3561 PWs) bands (ev): -26.5506 -26.5506 -9.4883 -9.4883 -8.4134 -8.4134 -8.3334 -8.3334 -1.6735 -1.6735 -1.6560 -1.6560 1.1344 1.1344 1.1492 1.1492 1.1687 1.1687 1.3527 1.3527 1.4399 1.4399 1.5184 1.5184 1.5239 1.5239 1.6099 1.6099 1.7749 1.7749 1.9278 1.9278 3.4946 3.4946 3.5033 3.5033 4.4771 4.4771 5.9560 5.9560 6.3593 6.3593 6.3696 6.3696 10.8779 10.8779 10.8969 10.8969 12.3829 12.3829 13.0034 13.0034 k = 0.3333 0.5774 0.1883 ( 3555 PWs) bands (ev): -26.5506 -26.5506 -9.4883 -9.4883 -8.4133 -8.4133 -8.3334 -8.3334 -1.6741 -1.6741 -1.6568 -1.6568 1.1346 1.1346 1.1496 1.1496 1.1690 1.1690 1.3522 1.3522 1.4399 1.4399 1.5182 1.5182 1.5236 1.5236 1.6096 1.6096 1.7738 1.7738 1.9272 1.9272 3.4956 3.4956 3.5029 3.5029 4.5059 4.5059 5.9125 5.9125 6.3733 6.3733 6.3811 6.3811 10.8262 10.8262 10.8472 10.8472 12.4654 12.4654 13.0422 13.0422 k = 0.3333 0.5774 0.2008 ( 3561 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4133 -8.4133 -8.3334 -8.3334 -1.6746 -1.6746 -1.6575 -1.6575 1.1348 1.1348 1.1500 1.1500 1.1693 1.1693 1.3516 1.3516 1.4398 1.4398 1.5181 1.5181 1.5232 1.5232 1.6094 1.6094 1.7727 1.7727 1.9266 1.9266 3.4965 3.4965 3.5026 3.5026 4.5343 4.5343 5.8707 5.8707 6.3864 6.3864 6.3919 6.3919 10.7795 10.7795 10.8023 10.8023 12.5485 12.5485 13.0750 13.0750 k = 0.3333 0.5774 0.2134 ( 3561 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4133 -8.4133 -8.3334 -8.3334 -1.6751 -1.6751 -1.6582 -1.6582 1.1350 1.1350 1.1503 1.1503 1.1695 1.1695 1.3510 1.3510 1.4398 1.4398 1.5179 1.5179 1.5229 1.5229 1.6092 1.6092 1.7717 1.7717 1.9261 1.9261 3.4973 3.4973 3.5023 3.5023 4.5615 4.5615 5.8314 5.8314 6.3984 6.3984 6.4019 6.4019 10.7381 10.7381 10.7626 10.7626 12.6313 12.6313 13.1021 13.1021 k = 0.3333 0.5774 0.2259 ( 3558 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4132 -8.4132 -8.3334 -8.3334 -1.6756 -1.6756 -1.6588 -1.6588 1.1352 1.1352 1.1506 1.1506 1.1698 1.1698 1.3505 1.3505 1.4398 1.4398 1.5178 1.5178 1.5227 1.5227 1.6090 1.6090 1.7708 1.7708 1.9257 1.9257 3.4980 3.4980 3.5020 3.5020 4.5867 4.5867 5.7957 5.7957 6.4091 6.4091 6.4107 6.4107 10.7024 10.7024 10.7285 10.7285 12.7130 12.7130 13.1238 13.1238 k = 0.3333 0.5774 0.2385 ( 3558 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4132 -8.4132 -8.3334 -8.3334 -1.6760 -1.6760 -1.6593 -1.6593 1.1353 1.1353 1.1509 1.1509 1.1700 1.1700 1.3501 1.3501 1.4398 1.4398 1.5177 1.5177 1.5224 1.5224 1.6088 1.6088 1.7701 1.7701 1.9253 1.9253 3.4986 3.4986 3.5018 3.5018 4.6091 4.6091 5.7645 5.7645 6.4182 6.4182 6.4182 6.4182 10.6728 10.6728 10.7001 10.7001 12.7923 12.7923 13.1406 13.1406 k = 0.3333 0.5774 0.2510 ( 3552 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4132 -8.4132 -8.3334 -8.3334 -1.6763 -1.6763 -1.6597 -1.6597 1.1355 1.1355 1.1511 1.1511 1.1701 1.1701 1.3498 1.3498 1.4398 1.4398 1.5176 1.5176 1.5223 1.5223 1.6087 1.6087 1.7696 1.7696 1.9250 1.9250 3.4991 3.4991 3.5016 3.5016 4.6278 4.6278 5.7388 5.7388 6.4242 6.4242 6.4256 6.4256 10.6494 10.6494 10.6777 10.6777 12.8682 12.8682 13.1529 13.1529 k = 0.3333 0.5774 0.2636 ( 3555 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4132 -8.4132 -8.3334 -8.3334 -1.6765 -1.6765 -1.6599 -1.6599 1.1356 1.1356 1.1513 1.1513 1.1702 1.1702 1.3495 1.3495 1.4398 1.4398 1.5176 1.5176 1.5221 1.5221 1.6086 1.6086 1.7691 1.7691 1.9248 1.9248 3.4994 3.4994 3.5015 3.5015 4.6419 4.6419 5.7196 5.7196 6.4286 6.4286 6.4309 6.4309 10.6326 10.6326 10.6616 10.6616 12.9386 12.9386 13.1614 13.1614 k = 0.3333 0.5774 0.2761 ( 3549 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4131 -8.4131 -8.3334 -8.3334 -1.6766 -1.6766 -1.6601 -1.6601 1.1356 1.1356 1.1514 1.1514 1.1703 1.1703 1.3494 1.3494 1.4398 1.4398 1.5175 1.5175 1.5220 1.5220 1.6086 1.6086 1.7689 1.7689 1.9247 1.9247 3.4996 3.4996 3.5014 3.5014 4.6507 4.6507 5.7078 5.7078 6.4313 6.4313 6.4342 6.4342 10.6224 10.6224 10.6519 10.6519 12.9992 12.9992 13.1576 13.1576 k = 0.3333 0.5774 0.2887 ( 3534 PWs) bands (ev): -26.5506 -26.5506 -9.4882 -9.4882 -8.4131 -8.4131 -8.3334 -8.3334 -1.6766 -1.6766 -1.6602 -1.6602 1.1357 1.1357 1.1514 1.1514 1.1704 1.1704 1.3494 1.3494 1.4398 1.4398 1.5176 1.5176 1.5221 1.5221 1.6086 1.6086 1.7688 1.7688 1.9247 1.9247 3.4997 3.4997 3.5014 3.5014 4.6537 4.6537 5.7038 5.7038 6.4322 6.4322 6.4353 6.4353 10.6190 10.6190 10.6487 10.6487 13.0302 13.0302 13.1333 13.1333 Writing output data file SrxZnPx2.save init_run : 0.28s CPU 0.45s WALL ( 1 calls) electrons : 136.30s CPU 138.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 136.29s CPU 138.73s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 324 calls) cegterg : 124.81s CPU 126.69s WALL ( 369 calls) Called by sum_band: Called by *egterg: h_psi : 63.06s CPU 64.23s WALL ( 6639 calls) s_psi : 5.80s CPU 6.00s WALL ( 6639 calls) g_psi : 0.22s CPU 0.20s WALL ( 5946 calls) cdiaghg : 51.26s CPU 52.13s WALL ( 6270 calls) cegterg:over : 5.23s CPU 5.11s WALL ( 5946 calls) cegterg:upda : 4.12s CPU 4.22s WALL ( 5946 calls) cegterg:last : 2.35s CPU 2.25s WALL ( 1021 calls) cdiaghg:chol : 2.88s CPU 2.94s WALL ( 6270 calls) cdiaghg:inve : 1.92s CPU 2.01s WALL ( 6270 calls) cdiaghg:para : 3.05s CPU 3.28s WALL ( 12540 calls) Called by h_psi: h_psi:vloc : 49.79s CPU 50.97s WALL ( 6639 calls) h_psi:vnl : 13.10s CPU 13.08s WALL ( 6639 calls) add_vuspsi : 7.13s CPU 7.02s WALL ( 6639 calls) General routines calbec : 5.94s CPU 6.04s WALL ( 6639 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.64s CPU 47.77s WALL ( 744532 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.23s WALL ( 648 calls) Parallel routines fft_scatter : 18.13s CPU 18.39s WALL ( 744555 calls) PWSCF : 2m32.16s CPU 2m45.25s WALL This run was terminated on: 21: 7:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=