Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:28: 5 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: ./CaxZnPx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized 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 30 20 5 1398 756 117 Max 31 21 6 1407 779 126 Sum 1111 745 211 50499 27571 4441 bravais-lattice index = 14 lattice parameter (alat) = 7.6307 a.u. unit-cell volume = 651.4211 (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 = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.630714 celldm(2)= 1.000000 celldm(3)= 1.692917 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 1.692917 ) 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 0.590696 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 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 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. # 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 Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 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 0.0128412), wk = 0.0030864 k( 129) = ( 0.0000000 0.0000000 0.0256824), wk = 0.0030864 k( 130) = ( 0.0000000 0.0000000 0.0385237), wk = 0.0030864 k( 131) = ( 0.0000000 0.0000000 0.0513649), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.0642061), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.0770473), wk = 0.0030864 k( 134) = ( 0.0000000 0.0000000 0.0898886), wk = 0.0030864 k( 135) = ( 0.0000000 0.0000000 0.1027298), wk = 0.0030864 k( 136) = ( 0.0000000 0.0000000 0.1155710), wk = 0.0030864 k( 137) = ( 0.0000000 0.0000000 0.1284122), wk = 0.0030864 k( 138) = ( 0.0000000 0.0000000 0.1412535), wk = 0.0030864 k( 139) = ( 0.0000000 0.0000000 0.1540947), wk = 0.0030864 k( 140) = ( 0.0000000 0.0000000 0.1669359), wk = 0.0030864 k( 141) = ( 0.0000000 0.0000000 0.1797771), wk = 0.0030864 k( 142) = ( 0.0000000 0.0000000 0.1926184), wk = 0.0030864 k( 143) = ( 0.0000000 0.0000000 0.2054596), wk = 0.0030864 k( 144) = ( 0.0000000 0.0000000 0.2183008), wk = 0.0030864 k( 145) = ( 0.0000000 0.0000000 0.2311420), wk = 0.0030864 k( 146) = ( 0.0000000 0.0000000 0.2439833), wk = 0.0030864 k( 147) = ( 0.0000000 0.0000000 0.2568245), wk = 0.0030864 k( 148) = ( 0.0000000 0.0000000 0.2696657), wk = 0.0030864 k( 149) = ( 0.0000000 0.0000000 0.2825069), wk = 0.0030864 k( 150) = ( 0.0000000 0.0000000 0.2953482), wk = 0.0030864 k( 151) = ( 0.0000000 0.0000000 0.2953482), wk = 0.0030864 k( 152) = ( 0.0111111 0.0064150 0.2953482), wk = 0.0030864 k( 153) = ( 0.0222222 0.0128300 0.2953482), wk = 0.0030864 k( 154) = ( 0.0333333 0.0192450 0.2953482), wk = 0.0030864 k( 155) = ( 0.0444444 0.0256600 0.2953482), wk = 0.0030864 k( 156) = ( 0.0555556 0.0320750 0.2953482), wk = 0.0030864 k( 157) = ( 0.0666667 0.0384900 0.2953482), wk = 0.0030864 k( 158) = ( 0.0777778 0.0449050 0.2953482), wk = 0.0030864 k( 159) = ( 0.0888889 0.0513200 0.2953482), wk = 0.0030864 k( 160) = ( 0.1000000 0.0577350 0.2953482), wk = 0.0030864 k( 161) = ( 0.1111111 0.0641500 0.2953482), wk = 0.0030864 k( 162) = ( 0.1222222 0.0705650 0.2953482), wk = 0.0030864 k( 163) = ( 0.1333333 0.0769800 0.2953482), wk = 0.0030864 k( 164) = ( 0.1444444 0.0833950 0.2953482), wk = 0.0030864 k( 165) = ( 0.1555556 0.0898100 0.2953482), wk = 0.0030864 k( 166) = ( 0.1666667 0.0962250 0.2953482), wk = 0.0030864 k( 167) = ( 0.1777778 0.1026400 0.2953482), wk = 0.0030864 k( 168) = ( 0.1888889 0.1090551 0.2953482), wk = 0.0030864 k( 169) = ( 0.2000000 0.1154701 0.2953482), wk = 0.0030864 k( 170) = ( 0.2111111 0.1218851 0.2953482), wk = 0.0030864 k( 171) = ( 0.2222222 0.1283001 0.2953482), wk = 0.0030864 k( 172) = ( 0.2333333 0.1347151 0.2953482), wk = 0.0030864 k( 173) = ( 0.2444444 0.1411301 0.2953482), wk = 0.0030864 k( 174) = ( 0.2555556 0.1475451 0.2953482), wk = 0.0030864 k( 175) = ( 0.2666667 0.1539601 0.2953482), wk = 0.0030864 k( 176) = ( 0.2777778 0.1603751 0.2953482), wk = 0.0030864 k( 177) = ( 0.2888889 0.1667901 0.2953482), wk = 0.0030864 k( 178) = ( 0.3000000 0.1732051 0.2953482), wk = 0.0030864 k( 179) = ( 0.3111111 0.1796201 0.2953482), wk = 0.0030864 k( 180) = ( 0.3222222 0.1860351 0.2953482), wk = 0.0030864 k( 181) = ( 0.3333333 0.1924501 0.2953482), wk = 0.0030864 k( 182) = ( 0.3444444 0.1988651 0.2953482), wk = 0.0030864 k( 183) = ( 0.3555556 0.2052801 0.2953482), wk = 0.0030864 k( 184) = ( 0.3666667 0.2116951 0.2953482), wk = 0.0030864 k( 185) = ( 0.3777778 0.2181101 0.2953482), wk = 0.0030864 k( 186) = ( 0.3888889 0.2245251 0.2953482), wk = 0.0030864 k( 187) = ( 0.4000000 0.2309401 0.2953482), wk = 0.0030864 k( 188) = ( 0.4111111 0.2373551 0.2953482), wk = 0.0030864 k( 189) = ( 0.4222222 0.2437701 0.2953482), wk = 0.0030864 k( 190) = ( 0.4333333 0.2501851 0.2953482), wk = 0.0030864 k( 191) = ( 0.4444444 0.2566001 0.2953482), wk = 0.0030864 k( 192) = ( 0.4555556 0.2630151 0.2953482), wk = 0.0030864 k( 193) = ( 0.4666667 0.2694301 0.2953482), wk = 0.0030864 k( 194) = ( 0.4777778 0.2758451 0.2953482), wk = 0.0030864 k( 195) = ( 0.4888889 0.2822601 0.2953482), wk = 0.0030864 k( 196) = ( 0.5000000 0.2886751 0.2953482), wk = 0.0030864 k( 197) = ( 0.5000000 0.2886751 0.2953482), wk = 0.0030864 k( 198) = ( 0.4935897 0.2997780 0.2953482), wk = 0.0030864 k( 199) = ( 0.4871795 0.3108809 0.2953482), wk = 0.0030864 k( 200) = ( 0.4807692 0.3219838 0.2953482), wk = 0.0030864 k( 201) = ( 0.4743590 0.3330867 0.2953482), wk = 0.0030864 k( 202) = ( 0.4679487 0.3441896 0.2953482), wk = 0.0030864 k( 203) = ( 0.4615385 0.3552925 0.2953482), wk = 0.0030864 k( 204) = ( 0.4551282 0.3663954 0.2953482), wk = 0.0030864 k( 205) = ( 0.4487179 0.3774983 0.2953482), wk = 0.0030864 k( 206) = ( 0.4423077 0.3886011 0.2953482), wk = 0.0030864 k( 207) = ( 0.4358974 0.3997040 0.2953482), wk = 0.0030864 k( 208) = ( 0.4294872 0.4108069 0.2953482), wk = 0.0030864 k( 209) = ( 0.4230769 0.4219098 0.2953482), wk = 0.0030864 k( 210) = ( 0.4166667 0.4330127 0.2953482), wk = 0.0030864 k( 211) = ( 0.4102564 0.4441156 0.2953482), wk = 0.0030864 k( 212) = ( 0.4038462 0.4552185 0.2953482), wk = 0.0030864 k( 213) = ( 0.3974359 0.4663214 0.2953482), wk = 0.0030864 k( 214) = ( 0.3910256 0.4774243 0.2953482), wk = 0.0030864 k( 215) = ( 0.3846154 0.4885271 0.2953482), wk = 0.0030864 k( 216) = ( 0.3782051 0.4996300 0.2953482), wk = 0.0030864 k( 217) = ( 0.3717949 0.5107329 0.2953482), wk = 0.0030864 k( 218) = ( 0.3653846 0.5218358 0.2953482), wk = 0.0030864 k( 219) = ( 0.3589744 0.5329387 0.2953482), wk = 0.0030864 k( 220) = ( 0.3525641 0.5440416 0.2953482), wk = 0.0030864 k( 221) = ( 0.3461538 0.5551445 0.2953482), wk = 0.0030864 k( 222) = ( 0.3397436 0.5662474 0.2953482), wk = 0.0030864 k( 223) = ( 0.3333333 0.5773503 0.2953482), wk = 0.0030864 k( 224) = ( 0.3333333 0.5773503 0.2953482), wk = 0.0030864 k( 225) = ( 0.3269231 0.5662474 0.2953482), wk = 0.0030864 k( 226) = ( 0.3205128 0.5551445 0.2953482), wk = 0.0030864 k( 227) = ( 0.3141026 0.5440416 0.2953482), wk = 0.0030864 k( 228) = ( 0.3076923 0.5329387 0.2953482), wk = 0.0030864 k( 229) = ( 0.3012821 0.5218358 0.2953482), wk = 0.0030864 k( 230) = ( 0.2948718 0.5107329 0.2953482), wk = 0.0030864 k( 231) = ( 0.2884615 0.4996300 0.2953482), wk = 0.0030864 k( 232) = ( 0.2820513 0.4885271 0.2953482), wk = 0.0030864 k( 233) = ( 0.2756410 0.4774243 0.2953482), wk = 0.0030864 k( 234) = ( 0.2692308 0.4663214 0.2953482), wk = 0.0030864 k( 235) = ( 0.2628205 0.4552185 0.2953482), wk = 0.0030864 k( 236) = ( 0.2564103 0.4441156 0.2953482), wk = 0.0030864 k( 237) = ( 0.2500000 0.4330127 0.2953482), wk = 0.0030864 k( 238) = ( 0.2435897 0.4219098 0.2953482), wk = 0.0030864 k( 239) = ( 0.2371795 0.4108069 0.2953482), wk = 0.0030864 k( 240) = ( 0.2307692 0.3997040 0.2953482), wk = 0.0030864 k( 241) = ( 0.2243590 0.3886011 0.2953482), wk = 0.0030864 k( 242) = ( 0.2179487 0.3774983 0.2953482), wk = 0.0030864 k( 243) = ( 0.2115385 0.3663954 0.2953482), wk = 0.0030864 k( 244) = ( 0.2051282 0.3552925 0.2953482), wk = 0.0030864 k( 245) = ( 0.1987180 0.3441896 0.2953482), wk = 0.0030864 k( 246) = ( 0.1923077 0.3330867 0.2953482), wk = 0.0030864 k( 247) = ( 0.1858974 0.3219838 0.2953482), wk = 0.0030864 k( 248) = ( 0.1794872 0.3108809 0.2953482), wk = 0.0030864 k( 249) = ( 0.1730769 0.2997780 0.2953482), wk = 0.0030864 k( 250) = ( 0.1666667 0.2886751 0.2953482), wk = 0.0030864 k( 251) = ( 0.1602564 0.2775722 0.2953482), wk = 0.0030864 k( 252) = ( 0.1538461 0.2664693 0.2953482), wk = 0.0030864 k( 253) = ( 0.1474359 0.2553665 0.2953482), wk = 0.0030864 k( 254) = ( 0.1410256 0.2442636 0.2953482), wk = 0.0030864 k( 255) = ( 0.1346154 0.2331607 0.2953482), wk = 0.0030864 k( 256) = ( 0.1282051 0.2220578 0.2953482), wk = 0.0030864 k( 257) = ( 0.1217949 0.2109549 0.2953482), wk = 0.0030864 k( 258) = ( 0.1153846 0.1998520 0.2953482), wk = 0.0030864 k( 259) = ( 0.1089744 0.1887491 0.2953482), wk = 0.0030864 k( 260) = ( 0.1025641 0.1776462 0.2953482), wk = 0.0030864 k( 261) = ( 0.0961538 0.1665434 0.2953482), wk = 0.0030864 k( 262) = ( 0.0897436 0.1554405 0.2953482), wk = 0.0030864 k( 263) = ( 0.0833333 0.1443376 0.2953482), wk = 0.0030864 k( 264) = ( 0.0769231 0.1332347 0.2953482), wk = 0.0030864 k( 265) = ( 0.0705128 0.1221318 0.2953482), wk = 0.0030864 k( 266) = ( 0.0641026 0.1110289 0.2953482), wk = 0.0030864 k( 267) = ( 0.0576923 0.0999260 0.2953482), wk = 0.0030864 k( 268) = ( 0.0512821 0.0888231 0.2953482), wk = 0.0030864 k( 269) = ( 0.0448718 0.0777202 0.2953482), wk = 0.0030864 k( 270) = ( 0.0384615 0.0666173 0.2953482), wk = 0.0030864 k( 271) = ( 0.0320513 0.0555144 0.2953482), wk = 0.0030864 k( 272) = ( 0.0256410 0.0444116 0.2953482), wk = 0.0030864 k( 273) = ( 0.0192308 0.0333087 0.2953482), wk = 0.0030864 k( 274) = ( 0.0128205 0.0222058 0.2953482), wk = 0.0030864 k( 275) = ( 0.0064103 0.0111029 0.2953482), wk = 0.0030864 k( 276) = ( 0.0000000 0.0000000 0.2953482), wk = 0.0030864 k( 277) = ( 0.5000000 0.2886751 0.2953482), wk = 0.0030864 k( 278) = ( 0.5000000 0.2886751 0.2825069), wk = 0.0030864 k( 279) = ( 0.5000000 0.2886751 0.2696657), wk = 0.0030864 k( 280) = ( 0.5000000 0.2886751 0.2568245), wk = 0.0030864 k( 281) = ( 0.5000000 0.2886751 0.2439833), wk = 0.0030864 k( 282) = ( 0.5000000 0.2886751 0.2311420), wk = 0.0030864 k( 283) = ( 0.5000000 0.2886751 0.2183008), wk = 0.0030864 k( 284) = ( 0.5000000 0.2886751 0.2054596), wk = 0.0030864 k( 285) = ( 0.5000000 0.2886751 0.1926184), wk = 0.0030864 k( 286) = ( 0.5000000 0.2886751 0.1797771), wk = 0.0030864 k( 287) = ( 0.5000000 0.2886751 0.1669359), wk = 0.0030864 k( 288) = ( 0.5000000 0.2886751 0.1540947), wk = 0.0030864 k( 289) = ( 0.5000000 0.2886751 0.1412535), wk = 0.0030864 k( 290) = ( 0.5000000 0.2886751 0.1284122), wk = 0.0030864 k( 291) = ( 0.5000000 0.2886751 0.1155710), wk = 0.0030864 k( 292) = ( 0.5000000 0.2886751 0.1027298), wk = 0.0030864 k( 293) = ( 0.5000000 0.2886751 0.0898886), wk = 0.0030864 k( 294) = ( 0.5000000 0.2886751 0.0770473), wk = 0.0030864 k( 295) = ( 0.5000000 0.2886751 0.0642061), wk = 0.0030864 k( 296) = ( 0.5000000 0.2886751 0.0513649), wk = 0.0030864 k( 297) = ( 0.5000000 0.2886751 0.0385237), wk = 0.0030864 k( 298) = ( 0.5000000 0.2886751 0.0256824), wk = 0.0030864 k( 299) = ( 0.5000000 0.2886751 0.0128412), 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 0.0128412), wk = 0.0030864 k( 303) = ( 0.3333333 0.5773503 0.0256824), wk = 0.0030864 k( 304) = ( 0.3333333 0.5773503 0.0385237), wk = 0.0030864 k( 305) = ( 0.3333333 0.5773503 0.0513649), wk = 0.0030864 k( 306) = ( 0.3333333 0.5773503 0.0642061), wk = 0.0030864 k( 307) = ( 0.3333333 0.5773503 0.0770473), wk = 0.0030864 k( 308) = ( 0.3333333 0.5773503 0.0898886), wk = 0.0030864 k( 309) = ( 0.3333333 0.5773503 0.1027298), wk = 0.0030864 k( 310) = ( 0.3333333 0.5773503 0.1155710), wk = 0.0030864 k( 311) = ( 0.3333333 0.5773503 0.1284122), wk = 0.0030864 k( 312) = ( 0.3333333 0.5773503 0.1412535), wk = 0.0030864 k( 313) = ( 0.3333333 0.5773503 0.1540947), wk = 0.0030864 k( 314) = ( 0.3333333 0.5773503 0.1669359), wk = 0.0030864 k( 315) = ( 0.3333333 0.5773503 0.1797771), wk = 0.0030864 k( 316) = ( 0.3333333 0.5773503 0.1926184), wk = 0.0030864 k( 317) = ( 0.3333333 0.5773503 0.2054596), wk = 0.0030864 k( 318) = ( 0.3333333 0.5773503 0.2183008), wk = 0.0030864 k( 319) = ( 0.3333333 0.5773503 0.2311420), wk = 0.0030864 k( 320) = ( 0.3333333 0.5773503 0.2439833), wk = 0.0030864 k( 321) = ( 0.3333333 0.5773503 0.2568245), wk = 0.0030864 k( 322) = ( 0.3333333 0.5773503 0.2696657), wk = 0.0030864 k( 323) = ( 0.3333333 0.5773503 0.2825069), wk = 0.0030864 k( 324) = ( 0.3333333 0.5773503 0.2953482), 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 0.0512821 -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 0.1538461 -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 0.0512821 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 0.1538461 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 0.1086956), 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: 50499 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 27571 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 204, 52) NL pseudopotentials 0.26 Mb ( 102, 170) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1403) G-vector shells 0.01 Mb ( 712) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 204, 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 : ./CaxZnPx2.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 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.3 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 10.6 secs Computing kpt #: 11 total cpu time spent up to now is 11.3 secs Computing kpt #: 12 total cpu time spent up to now is 11.9 secs Computing kpt #: 13 total cpu time spent up to now is 12.7 secs Computing kpt #: 14 total cpu time spent up to now is 13.6 secs Computing kpt #: 15 total cpu time spent up to now is 14.3 secs Computing kpt #: 16 total cpu time spent up to now is 15.0 secs Computing kpt #: 17 total cpu time spent up to now is 15.7 secs Computing kpt #: 18 total cpu time spent up to now is 16.4 secs Computing kpt #: 19 total cpu time spent up to now is 17.0 secs Computing kpt #: 20 total cpu time spent up to now is 17.7 secs Computing kpt #: 21 total cpu time spent up to now is 18.4 secs Computing kpt #: 22 total cpu time spent up to now is 19.1 secs Computing kpt #: 23 total cpu time spent up to now is 19.7 secs Computing kpt #: 24 total cpu time spent up to now is 20.4 secs Computing kpt #: 25 total cpu time spent up to now is 21.1 secs Computing kpt #: 26 total cpu time spent up to now is 21.8 secs Computing kpt #: 27 total cpu time spent up to now is 22.5 secs Computing kpt #: 28 total cpu time spent up to now is 23.2 secs Computing kpt #: 29 total cpu time spent up to now is 24.0 secs Computing kpt #: 30 total cpu time spent up to now is 24.5 secs Computing kpt #: 31 total cpu time spent up to now is 25.2 secs Computing kpt #: 32 total cpu time spent up to now is 26.0 secs Computing kpt #: 33 total cpu time spent up to now is 26.7 secs Computing kpt #: 34 total cpu time spent up to now is 27.6 secs Computing kpt #: 35 total cpu time spent up to now is 28.5 secs Computing kpt #: 36 total cpu time spent up to now is 29.3 secs Computing kpt #: 37 total cpu time spent up to now is 30.5 secs Computing kpt #: 38 total cpu time spent up to now is 31.8 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 33.1 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.4 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.7 secs Computing kpt #: 42 total cpu time spent up to now is 36.7 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 38.0 secs Computing kpt #: 44 total cpu time spent up to now is 39.3 secs Computing kpt #: 45 total cpu time spent up to now is 40.6 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.9 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.3 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.6 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.9 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.3 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.6 secs Computing kpt #: 52 total cpu time spent up to now is 49.6 secs Computing kpt #: 53 total cpu time spent up to now is 50.6 secs Computing kpt #: 54 total cpu time spent up to now is 51.3 secs Computing kpt #: 55 total cpu time spent up to now is 51.9 secs Computing kpt #: 56 total cpu time spent up to now is 52.5 secs Computing kpt #: 57 total cpu time spent up to now is 53.0 secs Computing kpt #: 58 total cpu time spent up to now is 53.6 secs Computing kpt #: 59 total cpu time spent up to now is 54.1 secs Computing kpt #: 60 total cpu time spent up to now is 54.6 secs Computing kpt #: 61 total cpu time spent up to now is 55.1 secs Computing kpt #: 62 total cpu time spent up to now is 55.5 secs Computing kpt #: 63 total cpu time spent up to now is 55.9 secs Computing kpt #: 64 total cpu time spent up to now is 56.4 secs Computing kpt #: 65 total cpu time spent up to now is 56.8 secs Computing kpt #: 66 total cpu time spent up to now is 57.2 secs Computing kpt #: 67 total cpu time spent up to now is 57.7 secs Computing kpt #: 68 total cpu time spent up to now is 58.1 secs Computing kpt #: 69 total cpu time spent up to now is 58.6 secs Computing kpt #: 70 total cpu time spent up to now is 59.2 secs Computing kpt #: 71 total cpu time spent up to now is 59.7 secs Computing kpt #: 72 total cpu time spent up to now is 60.4 secs Computing kpt #: 73 total cpu time spent up to now is 60.9 secs Computing kpt #: 74 total cpu time spent up to now is 61.5 secs Computing kpt #: 75 total cpu time spent up to now is 62.4 secs Computing kpt #: 76 total cpu time spent up to now is 63.0 secs Computing kpt #: 77 total cpu time spent up to now is 63.5 secs Computing kpt #: 78 total cpu time spent up to now is 64.1 secs Computing kpt #: 79 total cpu time spent up to now is 64.6 secs Computing kpt #: 80 total cpu time spent up to now is 65.1 secs Computing kpt #: 81 total cpu time spent up to now is 65.7 secs Computing kpt #: 82 total cpu time spent up to now is 66.2 secs Computing kpt #: 83 total cpu time spent up to now is 66.6 secs Computing kpt #: 84 total cpu time spent up to now is 67.1 secs Computing kpt #: 85 total cpu time spent up to now is 67.6 secs Computing kpt #: 86 total cpu time spent up to now is 68.1 secs Computing kpt #: 87 total cpu time spent up to now is 68.5 secs Computing kpt #: 88 total cpu time spent up to now is 69.1 secs Computing kpt #: 89 total cpu time spent up to now is 69.6 secs Computing kpt #: 90 total cpu time spent up to now is 70.2 secs Computing kpt #: 91 total cpu time spent up to now is 70.7 secs Computing kpt #: 92 total cpu time spent up to now is 71.2 secs Computing kpt #: 93 total cpu time spent up to now is 71.8 secs Computing kpt #: 94 total cpu time spent up to now is 72.4 secs Computing kpt #: 95 total cpu time spent up to now is 72.9 secs Computing kpt #: 96 total cpu time spent up to now is 73.5 secs Computing kpt #: 97 total cpu time spent up to now is 74.1 secs Computing kpt #: 98 total cpu time spent up to now is 74.6 secs Computing kpt #: 99 total cpu time spent up to now is 75.2 secs Computing kpt #: 100 total cpu time spent up to now is 75.7 secs Computing kpt #: 101 total cpu time spent up to now is 76.3 secs Computing kpt #: 102 total cpu time spent up to now is 76.8 secs Computing kpt #: 103 total cpu time spent up to now is 77.5 secs Computing kpt #: 104 total cpu time spent up to now is 78.0 secs Computing kpt #: 105 total cpu time spent up to now is 78.6 secs Computing kpt #: 106 total cpu time spent up to now is 79.2 secs Computing kpt #: 107 total cpu time spent up to now is 79.9 secs Computing kpt #: 108 total cpu time spent up to now is 80.6 secs Computing kpt #: 109 total cpu time spent up to now is 81.4 secs Computing kpt #: 110 total cpu time spent up to now is 82.1 secs Computing kpt #: 111 total cpu time spent up to now is 82.8 secs Computing kpt #: 112 total cpu time spent up to now is 83.5 secs Computing kpt #: 113 total cpu time spent up to now is 84.3 secs Computing kpt #: 114 total cpu time spent up to now is 85.1 secs Computing kpt #: 115 total cpu time spent up to now is 86.0 secs Computing kpt #: 116 total cpu time spent up to now is 86.9 secs Computing kpt #: 117 total cpu time spent up to now is 87.6 secs Computing kpt #: 118 total cpu time spent up to now is 88.3 secs Computing kpt #: 119 total cpu time spent up to now is 89.1 secs Computing kpt #: 120 total cpu time spent up to now is 90.0 secs Computing kpt #: 121 total cpu time spent up to now is 90.7 secs Computing kpt #: 122 total cpu time spent up to now is 91.5 secs Computing kpt #: 123 total cpu time spent up to now is 92.2 secs Computing kpt #: 124 total cpu time spent up to now is 93.0 secs Computing kpt #: 125 total cpu time spent up to now is 93.7 secs Computing kpt #: 126 total cpu time spent up to now is 94.2 secs Computing kpt #: 127 total cpu time spent up to now is 94.8 secs Computing kpt #: 128 total cpu time spent up to now is 95.4 secs Computing kpt #: 129 total cpu time spent up to now is 96.1 secs Computing kpt #: 130 total cpu time spent up to now is 96.8 secs Computing kpt #: 131 total cpu time spent up to now is 97.6 secs Computing kpt #: 132 total cpu time spent up to now is 98.3 secs Computing kpt #: 133 total cpu time spent up to now is 99.0 secs Computing kpt #: 134 total cpu time spent up to now is 99.8 secs Computing kpt #: 135 total cpu time spent up to now is 100.5 secs Computing kpt #: 136 total cpu time spent up to now is 101.3 secs Computing kpt #: 137 total cpu time spent up to now is 102.5 secs Computing kpt #: 138 total cpu time spent up to now is 103.3 secs Computing kpt #: 139 total cpu time spent up to now is 103.9 secs Computing kpt #: 140 total cpu time spent up to now is 104.5 secs Computing kpt #: 141 total cpu time spent up to now is 105.2 secs Computing kpt #: 142 total cpu time spent up to now is 105.8 secs Computing kpt #: 143 total cpu time spent up to now is 106.4 secs Computing kpt #: 144 total cpu time spent up to now is 107.0 secs Computing kpt #: 145 total cpu time spent up to now is 107.6 secs Computing kpt #: 146 total cpu time spent up to now is 108.2 secs Computing kpt #: 147 total cpu time spent up to now is 108.8 secs Computing kpt #: 148 total cpu time spent up to now is 109.5 secs Computing kpt #: 149 total cpu time spent up to now is 110.0 secs Computing kpt #: 150 total cpu time spent up to now is 110.6 secs Computing kpt #: 151 total cpu time spent up to now is 111.2 secs Computing kpt #: 152 total cpu time spent up to now is 111.8 secs Computing kpt #: 153 total cpu time spent up to now is 112.5 secs Computing kpt #: 154 total cpu time spent up to now is 113.1 secs Computing kpt #: 155 total cpu time spent up to now is 113.7 secs Computing kpt #: 156 total cpu time spent up to now is 114.3 secs Computing kpt #: 157 total cpu time spent up to now is 114.9 secs Computing kpt #: 158 total cpu time spent up to now is 115.5 secs Computing kpt #: 159 total cpu time spent up to now is 116.1 secs Computing kpt #: 160 total cpu time spent up to now is 116.8 secs Computing kpt #: 161 total cpu time spent up to now is 117.4 secs Computing kpt #: 162 total cpu time spent up to now is 118.2 secs Computing kpt #: 163 total cpu time spent up to now is 119.2 secs Computing kpt #: 164 total cpu time spent up to now is 120.3 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.6 secs Computing kpt #: 166 total cpu time spent up to now is 122.5 secs Computing kpt #: 167 total cpu time spent up to now is 123.6 secs Computing kpt #: 168 total cpu time spent up to now is 124.4 secs Computing kpt #: 169 total cpu time spent up to now is 125.1 secs Computing kpt #: 170 total cpu time spent up to now is 125.7 secs Computing kpt #: 171 total cpu time spent up to now is 126.3 secs Computing kpt #: 172 total cpu time spent up to now is 126.9 secs Computing kpt #: 173 total cpu time spent up to now is 127.4 secs Computing kpt #: 174 total cpu time spent up to now is 127.8 secs Computing kpt #: 175 total cpu time spent up to now is 128.2 secs Computing kpt #: 176 total cpu time spent up to now is 128.6 secs Computing kpt #: 177 total cpu time spent up to now is 129.1 secs Computing kpt #: 178 total cpu time spent up to now is 129.4 secs Computing kpt #: 179 total cpu time spent up to now is 129.8 secs Computing kpt #: 180 total cpu time spent up to now is 130.2 secs Computing kpt #: 181 total cpu time spent up to now is 130.6 secs Computing kpt #: 182 total cpu time spent up to now is 131.0 secs Computing kpt #: 183 total cpu time spent up to now is 131.4 secs Computing kpt #: 184 total cpu time spent up to now is 131.8 secs Computing kpt #: 185 total cpu time spent up to now is 132.2 secs Computing kpt #: 186 total cpu time spent up to now is 132.6 secs Computing kpt #: 187 total cpu time spent up to now is 133.0 secs Computing kpt #: 188 total cpu time spent up to now is 133.4 secs Computing kpt #: 189 total cpu time spent up to now is 133.9 secs Computing kpt #: 190 total cpu time spent up to now is 134.3 secs Computing kpt #: 191 total cpu time spent up to now is 134.7 secs Computing kpt #: 192 total cpu time spent up to now is 135.1 secs Computing kpt #: 193 total cpu time spent up to now is 135.5 secs Computing kpt #: 194 total cpu time spent up to now is 135.9 secs Computing kpt #: 195 total cpu time spent up to now is 136.3 secs Computing kpt #: 196 total cpu time spent up to now is 136.7 secs Computing kpt #: 197 total cpu time spent up to now is 137.2 secs Computing kpt #: 198 total cpu time spent up to now is 137.6 secs Computing kpt #: 199 total cpu time spent up to now is 138.0 secs Computing kpt #: 200 total cpu time spent up to now is 138.4 secs Computing kpt #: 201 total cpu time spent up to now is 138.8 secs Computing kpt #: 202 total cpu time spent up to now is 139.2 secs Computing kpt #: 203 total cpu time spent up to now is 139.6 secs Computing kpt #: 204 total cpu time spent up to now is 140.0 secs Computing kpt #: 205 total cpu time spent up to now is 140.4 secs Computing kpt #: 206 total cpu time spent up to now is 140.8 secs Computing kpt #: 207 total cpu time spent up to now is 141.3 secs Computing kpt #: 208 total cpu time spent up to now is 141.7 secs Computing kpt #: 209 total cpu time spent up to now is 142.1 secs Computing kpt #: 210 total cpu time spent up to now is 142.6 secs Computing kpt #: 211 total cpu time spent up to now is 143.0 secs Computing kpt #: 212 total cpu time spent up to now is 143.5 secs Computing kpt #: 213 total cpu time spent up to now is 144.0 secs Computing kpt #: 214 total cpu time spent up to now is 144.5 secs Computing kpt #: 215 total cpu time spent up to now is 145.1 secs Computing kpt #: 216 total cpu time spent up to now is 145.6 secs Computing kpt #: 217 total cpu time spent up to now is 146.2 secs Computing kpt #: 218 total cpu time spent up to now is 146.8 secs Computing kpt #: 219 total cpu time spent up to now is 147.3 secs Computing kpt #: 220 total cpu time spent up to now is 147.9 secs Computing kpt #: 221 total cpu time spent up to now is 148.5 secs Computing kpt #: 222 total cpu time spent up to now is 149.2 secs Computing kpt #: 223 total cpu time spent up to now is 149.7 secs Computing kpt #: 224 total cpu time spent up to now is 150.3 secs Computing kpt #: 225 total cpu time spent up to now is 151.0 secs Computing kpt #: 226 total cpu time spent up to now is 151.8 secs Computing kpt #: 227 total cpu time spent up to now is 152.5 secs Computing kpt #: 228 total cpu time spent up to now is 153.1 secs Computing kpt #: 229 total cpu time spent up to now is 153.7 secs Computing kpt #: 230 total cpu time spent up to now is 154.3 secs Computing kpt #: 231 total cpu time spent up to now is 154.8 secs Computing kpt #: 232 total cpu time spent up to now is 155.3 secs Computing kpt #: 233 total cpu time spent up to now is 155.9 secs Computing kpt #: 234 total cpu time spent up to now is 156.4 secs Computing kpt #: 235 total cpu time spent up to now is 156.9 secs Computing kpt #: 236 total cpu time spent up to now is 157.5 secs Computing kpt #: 237 total cpu time spent up to now is 158.1 secs Computing kpt #: 238 total cpu time spent up to now is 158.8 secs Computing kpt #: 239 total cpu time spent up to now is 159.5 secs Computing kpt #: 240 total cpu time spent up to now is 160.1 secs Computing kpt #: 241 total cpu time spent up to now is 160.8 secs Computing kpt #: 242 total cpu time spent up to now is 161.4 secs Computing kpt #: 243 total cpu time spent up to now is 162.1 secs Computing kpt #: 244 total cpu time spent up to now is 162.8 secs Computing kpt #: 245 total cpu time spent up to now is 163.3 secs Computing kpt #: 246 total cpu time spent up to now is 163.8 secs Computing kpt #: 247 total cpu time spent up to now is 164.5 secs Computing kpt #: 248 total cpu time spent up to now is 165.1 secs Computing kpt #: 249 total cpu time spent up to now is 165.7 secs Computing kpt #: 250 total cpu time spent up to now is 166.2 secs Computing kpt #: 251 total cpu time spent up to now is 166.7 secs Computing kpt #: 252 total cpu time spent up to now is 167.2 secs Computing kpt #: 253 total cpu time spent up to now is 167.7 secs Computing kpt #: 254 total cpu time spent up to now is 168.2 secs Computing kpt #: 255 total cpu time spent up to now is 168.6 secs Computing kpt #: 256 total cpu time spent up to now is 169.1 secs Computing kpt #: 257 total cpu time spent up to now is 169.6 secs Computing kpt #: 258 total cpu time spent up to now is 170.1 secs Computing kpt #: 259 total cpu time spent up to now is 170.6 secs Computing kpt #: 260 total cpu time spent up to now is 171.1 secs Computing kpt #: 261 total cpu time spent up to now is 171.6 secs Computing kpt #: 262 total cpu time spent up to now is 172.1 secs Computing kpt #: 263 total cpu time spent up to now is 172.6 secs Computing kpt #: 264 total cpu time spent up to now is 173.5 secs Computing kpt #: 265 total cpu time spent up to now is 174.2 secs Computing kpt #: 266 total cpu time spent up to now is 174.8 secs Computing kpt #: 267 total cpu time spent up to now is 175.4 secs Computing kpt #: 268 total cpu time spent up to now is 176.0 secs Computing kpt #: 269 total cpu time spent up to now is 176.6 secs Computing kpt #: 270 total cpu time spent up to now is 177.2 secs Computing kpt #: 271 total cpu time spent up to now is 177.8 secs Computing kpt #: 272 total cpu time spent up to now is 178.4 secs Computing kpt #: 273 total cpu time spent up to now is 179.0 secs Computing kpt #: 274 total cpu time spent up to now is 179.6 secs Computing kpt #: 275 total cpu time spent up to now is 180.2 secs Computing kpt #: 276 total cpu time spent up to now is 180.7 secs Computing kpt #: 277 total cpu time spent up to now is 181.1 secs Computing kpt #: 278 total cpu time spent up to now is 181.5 secs Computing kpt #: 279 total cpu time spent up to now is 182.0 secs Computing kpt #: 280 total cpu time spent up to now is 182.4 secs Computing kpt #: 281 total cpu time spent up to now is 182.8 secs Computing kpt #: 282 total cpu time spent up to now is 183.2 secs Computing kpt #: 283 total cpu time spent up to now is 183.6 secs Computing kpt #: 284 total cpu time spent up to now is 184.0 secs Computing kpt #: 285 total cpu time spent up to now is 184.4 secs Computing kpt #: 286 total cpu time spent up to now is 184.8 secs Computing kpt #: 287 total cpu time spent up to now is 185.2 secs Computing kpt #: 288 total cpu time spent up to now is 185.6 secs Computing kpt #: 289 total cpu time spent up to now is 186.0 secs Computing kpt #: 290 total cpu time spent up to now is 186.4 secs Computing kpt #: 291 total cpu time spent up to now is 186.9 secs Computing kpt #: 292 total cpu time spent up to now is 187.3 secs Computing kpt #: 293 total cpu time spent up to now is 187.8 secs Computing kpt #: 294 total cpu time spent up to now is 188.3 secs Computing kpt #: 295 total cpu time spent up to now is 188.8 secs Computing kpt #: 296 total cpu time spent up to now is 189.4 secs Computing kpt #: 297 total cpu time spent up to now is 190.1 secs Computing kpt #: 298 total cpu time spent up to now is 190.8 secs Computing kpt #: 299 total cpu time spent up to now is 191.6 secs Computing kpt #: 300 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.9 secs Computing kpt #: 301 total cpu time spent up to now is 193.6 secs Computing kpt #: 302 total cpu time spent up to now is 194.6 secs Computing kpt #: 303 total cpu time spent up to now is 195.1 secs Computing kpt #: 304 total cpu time spent up to now is 195.8 secs Computing kpt #: 305 total cpu time spent up to now is 196.3 secs Computing kpt #: 306 total cpu time spent up to now is 196.8 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.2 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.5 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 200.7 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.0 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.3 secs Computing kpt #: 312 total cpu time spent up to now is 203.9 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 205.2 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.5 secs Computing kpt #: 315 total cpu time spent up to now is 207.1 secs Computing kpt #: 316 total cpu time spent up to now is 207.9 secs Computing kpt #: 317 total cpu time spent up to now is 208.7 secs Computing kpt #: 318 total cpu time spent up to now is 209.5 secs Computing kpt #: 319 total cpu time spent up to now is 210.2 secs Computing kpt #: 320 total cpu time spent up to now is 210.9 secs Computing kpt #: 321 total cpu time spent up to now is 211.7 secs Computing kpt #: 322 total cpu time spent up to now is 212.5 secs Computing kpt #: 323 total cpu time spent up to now is 213.2 secs Computing kpt #: 324 total cpu time spent up to now is 213.8 secs ethr = 2.27E-08, avg # of iterations = 40.4 total cpu time spent up to now is 213.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3429 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3074 -13.3074 -13.2534 -13.2534 -3.3970 -3.3970 -2.1064 -2.1064 0.8674 0.8674 0.9084 0.9084 1.0019 1.0019 1.0258 1.0258 1.2842 1.2842 1.3051 1.3051 1.3776 1.3776 1.5092 1.5092 1.5956 1.5956 1.6061 1.6061 3.0028 3.0028 7.0504 7.0504 7.0741 7.0741 8.2826 8.2826 8.3713 8.3713 8.3988 8.3988 9.3891 9.3891 10.0716 10.0716 10.6503 10.6503 11.0795 11.0795 k = 0.0111 0.0064-0.0000 ( 3429 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3075 -13.3075 -13.2535 -13.2535 -3.3959 -3.3959 -2.1059 -2.1059 0.8675 0.8675 0.9085 0.9085 1.0016 1.0016 1.0261 1.0261 1.2842 1.2842 1.3051 1.3051 1.3779 1.3779 1.5093 1.5093 1.5953 1.5953 1.6060 1.6060 3.0044 3.0044 7.0431 7.0431 7.0686 7.0686 8.2800 8.2800 8.3618 8.3618 8.3908 8.3908 9.3987 9.3987 10.0783 10.0783 10.6569 10.6569 11.0850 11.0850 k = 0.0222 0.0128-0.0000 ( 3429 PWs) bands (ev): -32.3867 -32.3867 -13.6635 -13.6635 -13.3075 -13.3075 -13.2537 -13.2537 -3.3926 -3.3926 -2.1045 -2.1045 0.8677 0.8677 0.9088 0.9088 1.0009 1.0009 1.0268 1.0268 1.2840 1.2840 1.3052 1.3052 1.3788 1.3788 1.5095 1.5095 1.5944 1.5944 1.6057 1.6057 3.0094 3.0094 7.0148 7.0148 7.0594 7.0594 8.2704 8.2704 8.3276 8.3276 8.3755 8.3755 9.4269 9.4269 10.0968 10.0968 10.6765 10.6765 11.1012 11.1012 k = 0.0333 0.0192-0.0000 ( 3419 PWs) bands (ev): -32.3866 -32.3866 -13.6636 -13.6636 -13.3076 -13.3076 -13.2541 -13.2541 -3.3872 -3.3872 -2.1020 -2.1020 0.8681 0.8681 0.9093 0.9093 0.9999 0.9999 1.0279 1.0279 1.2837 1.2837 1.3053 1.3053 1.3803 1.3803 1.5100 1.5100 1.5930 1.5930 1.6055 1.6055 3.0175 3.0175 6.9637 6.9637 7.0499 7.0499 8.2380 8.2380 8.2835 8.2835 8.3575 8.3575 9.4721 9.4721 10.1233 10.1233 10.7078 10.7078 11.1272 11.1272 k = 0.0444 0.0257-0.0000 ( 3421 PWs) bands (ev): -32.3866 -32.3866 -13.6638 -13.6638 -13.3077 -13.3077 -13.2547 -13.2547 -3.3795 -3.3795 -2.0987 -2.0987 0.8686 0.8686 0.9100 0.9100 0.9986 0.9986 1.0293 1.0293 1.2832 1.2832 1.3054 1.3054 1.3823 1.3823 1.5107 1.5107 1.5907 1.5907 1.6053 1.6053 3.0289 3.0289 6.8939 6.8939 7.0385 7.0385 8.1593 8.1593 8.2595 8.2595 8.3349 8.3349 9.5320 9.5320 10.1535 10.1535 10.7487 10.7487 11.1610 11.1610 k = 0.0556 0.0321-0.0000 ( 3421 PWs) bands (ev): -32.3865 -32.3865 -13.6641 -13.6641 -13.3078 -13.3078 -13.2554 -13.2554 -3.3696 -3.3696 -2.0944 -2.0944 0.8692 0.8692 0.9109 0.9109 0.9971 0.9971 1.0310 1.0310 1.2827 1.2827 1.3057 1.3057 1.3847 1.3847 1.5115 1.5115 1.5877 1.5877 1.6052 1.6052 3.0435 3.0435 6.8091 6.8091 7.0246 7.0246 8.0571 8.0571 8.2382 8.2382 8.3074 8.3074 9.6037 9.6037 10.1839 10.1839 10.7963 10.7963 11.2010 11.2010 k = 0.0667 0.0385-0.0000 ( 3419 PWs) bands (ev): -32.3864 -32.3864 -13.6644 -13.6644 -13.3080 -13.3080 -13.2562 -13.2562 -3.3577 -3.3577 -2.0892 -2.0892 0.8700 0.8700 0.9120 0.9120 0.9955 0.9955 1.0328 1.0328 1.2821 1.2821 1.3060 1.3060 1.3874 1.3874 1.5125 1.5125 1.5840 1.5840 1.6053 1.6053 3.0612 3.0612 6.7121 6.7121 7.0079 7.0079 7.9416 7.9416 8.2137 8.2137 8.2753 8.2753 9.6840 9.6840 10.2127 10.2127 10.8474 10.8474 11.2466 11.2466 k = 0.0778 0.0449-0.0000 ( 3423 PWs) bands (ev): -32.3863 -32.3863 -13.6647 -13.6647 -13.3083 -13.3083 -13.2572 -13.2572 -3.3435 -3.3435 -2.0830 -2.0830 0.8709 0.8709 0.9133 0.9133 0.9939 0.9939 1.0348 1.0348 1.2815 1.2815 1.3065 1.3065 1.3905 1.3905 1.5135 1.5135 1.5797 1.5797 1.6056 1.6056 3.0819 3.0819 6.6051 6.6051 6.9887 6.9887 7.8169 7.8169 8.1851 8.1851 8.2391 8.2391 9.7697 9.7697 10.2389 10.2389 10.8999 10.8999 11.2973 11.2973 k = 0.0889 0.0513-0.0000 ( 3433 PWs) bands (ev): -32.3862 -32.3862 -13.6652 -13.6652 -13.3086 -13.3086 -13.2583 -13.2583 -3.3273 -3.3273 -2.0761 -2.0761 0.8719 0.8719 0.9148 0.9148 0.9923 0.9923 1.0368 1.0368 1.2808 1.2808 1.3071 1.3071 1.3938 1.3938 1.5147 1.5147 1.5748 1.5748 1.6060 1.6060 3.1056 3.1056 6.4904 6.4904 6.9668 6.9668 7.6861 7.6861 8.1525 8.1525 8.1994 8.1994 9.8573 9.8573 10.2627 10.2627 10.9532 10.9532 11.3527 11.3527 k = 0.1000 0.0577-0.0000 ( 3429 PWs) bands (ev): -32.3860 -32.3860 -13.6657 -13.6657 -13.3089 -13.3089 -13.2596 -13.2596 -3.3090 -3.3090 -2.0683 -2.0683 0.8731 0.8731 0.9165 0.9165 0.9907 0.9907 1.0391 1.0391 1.2801 1.2801 1.3078 1.3078 1.3973 1.3973 1.5159 1.5159 1.5698 1.5698 1.6067 1.6067 3.1321 3.1321 6.3695 6.3695 6.9425 6.9425 7.5510 7.5510 8.1159 8.1159 8.1567 8.1567 9.9434 9.9434 10.2846 10.2846 11.0074 11.0074 11.4117 11.4117 k = 0.1111 0.0642-0.0000 ( 3429 PWs) bands (ev): -32.3859 -32.3859 -13.6662 -13.6662 -13.3092 -13.3092 -13.2609 -13.2609 -3.2887 -3.2887 -2.0597 -2.0597 0.8744 0.8744 0.9183 0.9183 0.9892 0.9892 1.0413 1.0413 1.2795 1.2795 1.3087 1.3087 1.4009 1.4009 1.5171 1.5171 1.5646 1.5646 1.6075 1.6075 3.1615 3.1615 6.2437 6.2437 6.9160 6.9160 7.4132 7.4132 8.0757 8.0757 8.1117 8.1117 10.0236 10.0236 10.3061 10.3061 11.0634 11.0634 11.4731 11.4731 k = 0.1222 0.0706-0.0000 ( 3433 PWs) bands (ev): -32.3857 -32.3857 -13.6668 -13.6668 -13.3096 -13.3096 -13.2623 -13.2623 -3.2664 -3.2664 -2.0504 -2.0504 0.8757 0.8757 0.9204 0.9204 0.9878 0.9878 1.0437 1.0437 1.2790 1.2790 1.3097 1.3097 1.4045 1.4045 1.5180 1.5180 1.5595 1.5595 1.6085 1.6085 3.1935 3.1935 6.1142 6.1142 6.8873 6.8873 7.2739 7.2739 8.0321 8.0321 8.0647 8.0647 10.0925 10.0925 10.3299 10.3299 11.1220 11.1220 11.5351 11.5351 k = 0.1333 0.0770-0.0000 ( 3429 PWs) bands (ev): -32.3856 -32.3856 -13.6674 -13.6674 -13.3101 -13.3101 -13.2638 -13.2638 -3.2422 -3.2422 -2.0403 -2.0403 0.8772 0.8772 0.9227 0.9227 0.9866 0.9866 1.0461 1.0461 1.2785 1.2785 1.3109 1.3109 1.4080 1.4080 1.5182 1.5182 1.5551 1.5551 1.6098 1.6098 3.2281 3.2281 5.9818 5.9818 6.8566 6.8566 7.1341 7.1341 7.9857 7.9857 8.0160 8.0160 10.1432 10.1432 10.3604 10.3604 11.1838 11.1838 11.5949 11.5949 k = 0.1444 0.0834-0.0000 ( 3430 PWs) bands (ev): -32.3854 -32.3854 -13.6681 -13.6681 -13.3106 -13.3106 -13.2654 -13.2654 -3.2160 -3.2160 -2.0296 -2.0296 0.8788 0.8788 0.9251 0.9251 0.9855 0.9855 1.0487 1.0487 1.2781 1.2781 1.3122 1.3122 1.4113 1.4113 1.5173 1.5173 1.5519 1.5519 1.6114 1.6114 3.2651 3.2651 5.8472 5.8472 6.8242 6.8242 6.9945 6.9945 7.9369 7.9369 7.9660 7.9660 10.1710 10.1710 10.4010 10.4010 11.2489 11.2489 11.6407 11.6408 k = 0.1556 0.0898-0.0000 ( 3422 PWs) bands (ev): -32.3852 -32.3852 -13.6688 -13.6688 -13.3111 -13.3111 -13.2670 -13.2670 -3.1881 -3.1881 -2.0184 -2.0184 0.8806 0.8806 0.9278 0.9278 0.9847 0.9847 1.0513 1.0513 1.2779 1.2779 1.3136 1.3136 1.4143 1.4143 1.5150 1.5150 1.5503 1.5503 1.6133 1.6133 3.3045 3.3045 5.7112 5.7112 6.7900 6.7900 6.8558 6.8558 7.8861 7.8861 7.9146 7.9146 10.1774 10.1774 10.4494 10.4494 11.3166 11.3166 11.6481 11.6481 k = 0.1667 0.0962-0.0000 ( 3422 PWs) bands (ev): -32.3850 -32.3850 -13.6696 -13.6696 -13.3117 -13.3117 -13.2686 -13.2686 -3.1583 -3.1583 -2.0066 -2.0066 0.8823 0.8823 0.9306 0.9306 0.9839 0.9839 1.0540 1.0540 1.2778 1.2778 1.3152 1.3152 1.4171 1.4171 1.5111 1.5111 1.5502 1.5502 1.6156 1.6156 3.3461 3.3461 5.5741 5.5741 6.7168 6.7168 6.7558 6.7558 7.8338 7.8338 7.8622 7.8622 10.1677 10.1677 10.5007 10.5007 11.3858 11.3858 11.6612 11.6612 k = 0.1778 0.1026-0.0000 ( 3418 PWs) bands (ev): -32.3848 -32.3848 -13.6705 -13.6705 -13.3123 -13.3123 -13.2703 -13.2703 -3.1268 -3.1268 -1.9943 -1.9943 0.8843 0.8843 0.9336 0.9336 0.9834 0.9834 1.0568 1.0568 1.2778 1.2778 1.3170 1.3170 1.4194 1.4194 1.5062 1.5062 1.5515 1.5515 1.6184 1.6184 3.3898 3.3898 5.4366 5.4366 6.5812 6.5812 6.7188 6.7188 7.7800 7.7800 7.8093 7.8093 10.1464 10.1464 10.5519 10.5519 11.4544 11.4544 11.6813 11.6813 k = 0.1889 0.1091-0.0000 ( 3418 PWs) bands (ev): -32.3845 -32.3845 -13.6713 -13.6713 -13.3131 -13.3131 -13.2719 -13.2719 -3.0937 -3.0937 -1.9817 -1.9817 0.8864 0.8864 0.9368 0.9368 0.9831 0.9831 1.0597 1.0597 1.2780 1.2780 1.3188 1.3188 1.4213 1.4213 1.5006 1.5006 1.5535 1.5535 1.6218 1.6218 3.4354 3.4354 5.2990 5.2990 6.4471 6.4471 6.6813 6.6813 7.7246 7.7246 7.7562 7.7562 10.1165 10.1165 10.6015 10.6015 11.5205 11.5205 11.7072 11.7072 k = 0.2000 0.1155-0.0000 ( 3422 PWs) bands (ev): -32.3843 -32.3843 -13.6723 -13.6723 -13.3138 -13.3138 -13.2736 -13.2736 -3.0591 -3.0591 -1.9687 -1.9687 0.8886 0.8886 0.9402 0.9402 0.9829 0.9829 1.0626 1.0626 1.2783 1.2783 1.3208 1.3208 1.4225 1.4225 1.4949 1.4949 1.5560 1.5560 1.6258 1.6258 3.4828 3.4828 5.1617 5.1617 6.3152 6.3152 6.6430 6.6430 7.6676 7.6676 7.7036 7.7036 10.0804 10.0804 10.6492 10.6492 11.5823 11.5823 11.7377 11.7377 k = 0.2111 0.1219-0.0000 ( 3418 PWs) bands (ev): -32.3841 -32.3841 -13.6732 -13.6732 -13.3147 -13.3147 -13.2752 -13.2752 -3.0230 -3.0230 -1.9556 -1.9556 0.8911 0.8911 0.9438 0.9438 0.9830 0.9830 1.0657 1.0657 1.2788 1.2788 1.3229 1.3229 1.4232 1.4232 1.4893 1.4893 1.5587 1.5587 1.6306 1.6306 3.5317 3.5317 5.0250 5.0250 6.1858 6.1858 6.6043 6.6043 7.6089 7.6089 7.6518 7.6518 10.0396 10.0396 10.6951 10.6951 11.6385 11.6385 11.7711 11.7711 k = 0.2222 0.1283-0.0000 ( 3422 PWs) bands (ev): -32.3838 -32.3838 -13.6742 -13.6742 -13.3156 -13.3156 -13.2768 -13.2768 -2.9855 -2.9855 -1.9423 -1.9423 0.8938 0.8938 0.9476 0.9476 0.9833 0.9833 1.0688 1.0688 1.2795 1.2795 1.3251 1.3251 1.4231 1.4231 1.4839 1.4839 1.5613 1.5613 1.6361 1.6361 3.5820 3.5820 4.8893 4.8893 6.0593 6.0593 6.5651 6.5651 7.5486 7.5486 7.6013 7.6013 9.9956 9.9956 10.7393 10.7393 11.6883 11.6883 11.8064 11.8064 k = 0.2333 0.1347-0.0000 ( 3418 PWs) bands (ev): -32.3836 -32.3836 -13.6752 -13.6752 -13.3166 -13.3166 -13.2783 -13.2783 -2.9467 -2.9467 -1.9289 -1.9289 0.8967 0.8967 0.9515 0.9515 0.9838 0.9838 1.0720 1.0720 1.2804 1.2804 1.3274 1.3274 1.4222 1.4222 1.4790 1.4790 1.5639 1.5639 1.6424 1.6424 3.6334 3.6334 4.7551 4.7551 5.9359 5.9359 6.5258 6.5258 7.4869 7.4869 7.5521 7.5521 9.9497 9.9497 10.7819 10.7819 11.7310 11.7310 11.8430 11.8430 k = 0.2444 0.1411-0.0000 ( 3416 PWs) bands (ev): -32.3834 -32.3834 -13.6763 -13.6763 -13.3176 -13.3176 -13.2797 -13.2797 -2.9068 -2.9068 -1.9157 -1.9157 0.8998 0.8998 0.9556 0.9556 0.9846 0.9846 1.0753 1.0753 1.2815 1.2815 1.3298 1.3298 1.4206 1.4206 1.4747 1.4747 1.5662 1.5662 1.6495 1.6495 3.6855 3.6855 4.6225 4.6225 5.8160 5.8160 6.4865 6.4865 7.4239 7.4239 7.5042 7.5042 9.9026 9.9026 10.8229 10.8229 11.7659 11.7659 11.8810 11.8810 k = 0.2556 0.1475-0.0000 ( 3416 PWs) bands (ev): -32.3831 -32.3831 -13.6774 -13.6774 -13.3188 -13.3188 -13.2810 -13.2810 -2.8659 -2.8659 -1.9026 -1.9026 0.9032 0.9032 0.9598 0.9598 0.9856 0.9856 1.0786 1.0786 1.2828 1.2828 1.3322 1.3322 1.4183 1.4183 1.4710 1.4710 1.5684 1.5684 1.6573 1.6573 3.7380 3.7380 4.4921 4.4921 5.7000 5.7000 6.4475 6.4475 7.3598 7.3598 7.4579 7.4579 9.8553 9.8553 10.8621 10.8621 11.7924 11.7924 11.9208 11.9208 k = 0.2667 0.1540-0.0000 ( 3414 PWs) bands (ev): -32.3829 -32.3829 -13.6784 -13.6784 -13.3200 -13.3200 -13.2823 -13.2823 -2.8240 -2.8240 -1.8898 -1.8898 0.9068 0.9068 0.9641 0.9641 0.9869 0.9869 1.0821 1.0821 1.2843 1.2843 1.3347 1.3347 1.4153 1.4153 1.4680 1.4680 1.5703 1.5703 1.6657 1.6657 3.7900 3.7900 4.3645 4.3645 5.5882 5.5882 6.4088 6.4088 7.2949 7.2949 7.4131 7.4131 9.8082 9.8082 10.8996 10.8996 11.8100 11.8100 11.9626 11.9626 k = 0.2778 0.1604-0.0000 ( 3422 PWs) bands (ev): -32.3826 -32.3826 -13.6796 -13.6796 -13.3212 -13.3212 -13.2835 -13.2835 -2.7814 -2.7814 -1.8773 -1.8773 0.9107 0.9107 0.9683 0.9683 0.9887 0.9887 1.0855 1.0855 1.2860 1.2860 1.3372 1.3372 1.4118 1.4118 1.4654 1.4654 1.5720 1.5720 1.6747 1.6747 3.8403 3.8403 4.2408 4.2408 5.4812 5.4812 6.3707 6.3707 7.2292 7.2292 7.3699 7.3699 9.7618 9.7618 10.9351 10.9351 11.8187 11.8187 12.0067 12.0067 k = 0.2889 0.1668-0.0000 ( 3414 PWs) bands (ev): -32.3824 -32.3824 -13.6806 -13.6806 -13.3224 -13.3224 -13.2845 -13.2845 -2.7382 -2.7382 -1.8654 -1.8654 0.9149 0.9149 0.9723 0.9723 0.9910 0.9910 1.0892 1.0892 1.2880 1.2880 1.3397 1.3397 1.4081 1.4081 1.4633 1.4633 1.5736 1.5736 1.6841 1.6841 3.8854 3.8854 4.1242 4.1242 5.3797 5.3797 6.3334 6.3334 7.1629 7.1629 7.3284 7.3284 9.7166 9.7166 10.9686 10.9686 11.8185 11.8185 12.0528 12.0529 k = 0.3000 0.1732-0.0000 ( 3414 PWs) bands (ev): -32.3822 -32.3822 -13.6817 -13.6817 -13.3237 -13.3237 -13.2855 -13.2855 -2.6945 -2.6945 -1.8540 -1.8540 0.9192 0.9192 0.9760 0.9760 0.9940 0.9940 1.0929 1.0929 1.2901 1.2901 1.3422 1.3422 1.4042 1.4042 1.4615 1.4615 1.5750 1.5750 1.6937 1.6937 3.9060 3.9060 4.0334 4.0334 5.2845 5.2845 6.2969 6.2969 7.0962 7.0962 7.2886 7.2886 9.6728 9.6728 10.9999 10.9999 11.8099 11.8099 12.1012 12.1012 k = 0.3111 0.1796-0.0000 ( 3416 PWs) bands (ev): -32.3819 -32.3819 -13.6828 -13.6828 -13.3251 -13.3251 -13.2864 -13.2864 -2.6505 -2.6505 -1.8434 -1.8434 0.9237 0.9237 0.9792 0.9792 0.9979 0.9979 1.0968 1.0968 1.2924 1.2924 1.3447 1.3447 1.4004 1.4004 1.4599 1.4599 1.5764 1.5764 1.7034 1.7034 3.8446 3.8446 4.0251 4.0251 5.1967 5.1967 6.2615 6.2615 7.0291 7.0291 7.2508 7.2508 9.6306 9.6306 11.0289 11.0289 11.7931 11.7931 12.1520 12.1520 k = 0.3222 0.1860-0.0000 ( 3424 PWs) bands (ev): -32.3817 -32.3817 -13.6839 -13.6839 -13.3264 -13.3264 -13.2872 -13.2872 -2.6064 -2.6064 -1.8337 -1.8337 0.9283 0.9283 0.9818 0.9818 1.0027 1.0027 1.1009 1.1009 1.2948 1.2948 1.3471 1.3471 1.3968 1.3968 1.4584 1.4584 1.5777 1.5777 1.7130 1.7130 3.7426 3.7426 4.0568 4.0568 5.1179 5.1179 6.2274 6.2274 6.9618 6.9618 7.2147 7.2147 9.5903 9.5903 11.0556 11.0556 11.7691 11.7691 12.2051 12.2051 k = 0.3333 0.1925-0.0000 ( 3428 PWs) bands (ev): -32.3815 -32.3815 -13.6850 -13.6850 -13.3278 -13.3278 -13.2880 -13.2880 -2.5624 -2.5624 -1.8248 -1.8248 0.9329 0.9329 0.9839 0.9839 1.0082 1.0082 1.1053 1.1053 1.2973 1.2973 1.3494 1.3494 1.3935 1.3935 1.4572 1.4572 1.5790 1.5790 1.7223 1.7223 3.6371 3.6371 4.0900 4.0900 5.0499 5.0499 6.1945 6.1945 6.8945 6.8945 7.1807 7.1807 9.5519 9.5519 11.0800 11.0800 11.7389 11.7389 12.2607 12.2607 k = 0.3444 0.1989-0.0000 ( 3434 PWs) bands (ev): -32.3813 -32.3813 -13.6861 -13.6861 -13.3291 -13.3291 -13.2886 -13.2886 -2.5187 -2.5187 -1.8171 -1.8171 0.9374 0.9374 0.9857 0.9857 1.0143 1.0143 1.1101 1.1101 1.2999 1.2999 1.3516 1.3516 1.3908 1.3908 1.4560 1.4560 1.5803 1.5803 1.7311 1.7311 3.5340 3.5340 4.1168 4.1168 4.9950 4.9950 6.1632 6.1632 6.8272 6.8272 7.1486 7.1486 9.5157 9.5157 11.1022 11.1022 11.7038 11.7038 12.3188 12.3188 k = 0.3556 0.2053-0.0000 ( 3442 PWs) bands (ev): -32.3811 -32.3811 -13.6871 -13.6871 -13.3304 -13.3304 -13.2892 -13.2892 -2.4754 -2.4754 -1.8105 -1.8105 0.9419 0.9419 0.9871 0.9871 1.0207 1.0207 1.1152 1.1152 1.3024 1.3024 1.3534 1.3534 1.3889 1.3889 1.4550 1.4550 1.5816 1.5816 1.7391 1.7391 3.4352 3.4352 4.1337 4.1337 4.9553 4.9553 6.1334 6.1334 6.7602 6.7602 7.1186 7.1186 9.4816 9.4816 11.1221 11.1221 11.6653 11.6653 12.3793 12.3793 k = 0.3667 0.2117-0.0000 ( 3448 PWs) bands (ev): -32.3809 -32.3809 -13.6880 -13.6880 -13.3316 -13.3316 -13.2897 -13.2897 -2.4330 -2.4330 -1.8051 -1.8051 0.9463 0.9463 0.9883 0.9883 1.0274 1.0274 1.1209 1.1209 1.3047 1.3047 1.3548 1.3548 1.3882 1.3882 1.4542 1.4542 1.5831 1.5831 1.7460 1.7460 3.3413 3.3413 4.1388 4.1388 4.9325 4.9325 6.1054 6.1054 6.6936 6.6936 7.0906 7.0906 9.4498 9.4498 11.1401 11.1401 11.6247 11.6247 12.4420 12.4420 k = 0.3778 0.2181-0.0000 ( 3452 PWs) bands (ev): -32.3808 -32.3808 -13.6890 -13.6890 -13.3328 -13.3328 -13.2902 -13.2902 -2.3915 -2.3915 -1.8011 -1.8011 0.9506 0.9506 0.9893 0.9893 1.0341 1.0341 1.1273 1.1273 1.3069 1.3069 1.3553 1.3553 1.3889 1.3889 1.4535 1.4535 1.5848 1.5848 1.7514 1.7514 3.2530 3.2530 4.1317 4.1317 4.9267 4.9267 6.0791 6.0791 6.6276 6.6276 7.0647 7.0647 9.4203 9.4203 11.1561 11.1561 11.5834 11.5834 12.5065 12.5065 k = 0.3889 0.2245-0.0000 ( 3454 PWs) bands (ev): -32.3806 -32.3806 -13.6898 -13.6898 -13.3339 -13.3339 -13.2906 -13.2906 -2.3513 -2.3513 -1.7984 -1.7984 0.9546 0.9546 0.9901 0.9901 1.0406 1.0406 1.1343 1.1343 1.3089 1.3089 1.3550 1.3550 1.3913 1.3913 1.4531 1.4531 1.5866 1.5866 1.7552 1.7552 3.1710 3.1710 4.1137 4.1137 4.9363 4.9363 6.0549 6.0549 6.5627 6.5627 7.0410 7.0410 9.3932 9.3932 11.1703 11.1703 11.5425 11.5425 12.5724 12.5725 k = 0.4000 0.2309-0.0000 ( 3454 PWs) bands (ev): -32.3804 -32.3804 -13.6906 -13.6906 -13.3349 -13.3349 -13.2909 -13.2909 -2.3127 -2.3127 -1.7970 -1.7970 0.9584 0.9584 0.9906 0.9906 1.0467 1.0467 1.1418 1.1418 1.3106 1.3106 1.3537 1.3537 1.3953 1.3953 1.4530 1.4530 1.5888 1.5888 1.7569 1.7569 3.0957 3.0957 4.0877 4.0877 4.9584 4.9584 6.0326 6.0326 6.4990 6.4990 7.0195 7.0195 9.3686 9.3686 11.1828 11.1828 11.5030 11.5030 12.6394 12.6395 k = 0.4111 0.2374-0.0000 ( 3454 PWs) bands (ev): -32.3803 -32.3803 -13.6913 -13.6913 -13.3359 -13.3359 -13.2912 -13.2912 -2.2759 -2.2759 -1.7971 -1.7971 0.9620 0.9620 0.9909 0.9909 1.0523 1.0523 1.1499 1.1499 1.3122 1.3122 1.3518 1.3518 1.4004 1.4004 1.4534 1.4534 1.5913 1.5913 1.7563 1.7563 3.0276 3.0276 4.0569 4.0569 4.9896 4.9896 6.0125 6.0125 6.4372 6.4372 7.0001 7.0001 9.3464 9.3464 11.1937 11.1937 11.4658 11.4658 12.7068 12.7068 k = 0.4222 0.2438-0.0000 ( 3458 PWs) bands (ev): -32.3802 -32.3802 -13.6920 -13.6920 -13.3367 -13.3367 -13.2914 -13.2914 -2.2415 -2.2415 -1.7984 -1.7984 0.9654 0.9654 0.9909 0.9909 1.0572 1.0572 1.1584 1.1584 1.3135 1.3135 1.3493 1.3493 1.4063 1.4063 1.4545 1.4545 1.5942 1.5942 1.7532 1.7532 2.9672 2.9672 4.0241 4.0241 5.0265 5.0265 5.9945 5.9945 6.3778 6.3778 6.9830 6.9830 9.3267 9.3267 11.2032 11.2032 11.4316 11.4316 12.7738 12.7739 k = 0.4333 0.2502-0.0000 ( 3446 PWs) bands (ev): -32.3801 -32.3801 -13.6925 -13.6925 -13.3374 -13.3374 -13.2916 -13.2916 -2.2097 -2.2097 -1.8008 -1.8008 0.9685 0.9685 0.9907 0.9907 1.0616 1.0616 1.1668 1.1668 1.3149 1.3149 1.3464 1.3464 1.4122 1.4122 1.4565 1.4565 1.5979 1.5979 1.7475 1.7475 2.9147 2.9147 3.9918 3.9918 5.0662 5.0662 5.9788 5.9788 6.3216 6.3216 6.9681 6.9681 9.3095 9.3095 11.2112 11.2112 11.4010 11.4010 12.8394 12.8395 k = 0.4444 0.2566-0.0000 ( 3452 PWs) bands (ev): -32.3800 -32.3800 -13.6930 -13.6930 -13.3381 -13.3381 -13.2918 -13.2918 -2.1811 -2.1811 -1.8041 -1.8041 0.9715 0.9715 0.9902 0.9902 1.0651 1.0651 1.1749 1.1749 1.3161 1.3161 1.3433 1.3433 1.4175 1.4175 1.4596 1.4596 1.6023 1.6023 1.7394 1.7394 2.8704 2.8704 3.9618 3.9618 5.1062 5.1062 5.9655 5.9655 6.2697 6.2697 6.9555 6.9555 9.2949 9.2949 11.2180 11.2180 11.3744 11.3744 12.9023 12.9025 k = 0.4556 0.2630-0.0000 ( 3450 PWs) bands (ev): -32.3799 -32.3799 -13.6935 -13.6935 -13.3386 -13.3386 -13.2919 -13.2919 -2.1563 -2.1563 -1.8079 -1.8079 0.9742 0.9742 0.9895 0.9895 1.0680 1.0680 1.1823 1.1823 1.3176 1.3176 1.3401 1.3401 1.4217 1.4217 1.4638 1.4638 1.6076 1.6076 1.7293 1.7293 2.8344 2.8344 3.9356 3.9356 5.1439 5.1439 5.9544 5.9544 6.2235 6.2235 6.9452 6.9452 9.2830 9.2830 11.2234 11.2234 11.3521 11.3521 12.9605 12.9606 k = 0.4667 0.2694-0.0000 ( 3450 PWs) bands (ev): -32.3799 -32.3799 -13.6938 -13.6938 -13.3390 -13.3390 -13.2920 -13.2920 -2.1358 -2.1358 -1.8118 -1.8118 0.9766 0.9766 0.9886 0.9886 1.0703 1.0703 1.1885 1.1885 1.3191 1.3191 1.3368 1.3368 1.4247 1.4247 1.4685 1.4685 1.6139 1.6139 1.7180 1.7180 2.8066 2.8066 3.9141 3.9141 5.1769 5.1769 5.9458 5.9458 6.1846 6.1846 6.9371 6.9371 9.2736 9.2736 11.2277 11.2277 11.3345 11.3345 13.0114 13.0114 k = 0.4778 0.2758-0.0000 ( 3450 PWs) bands (ev): -32.3798 -32.3798 -13.6940 -13.6940 -13.3393 -13.3393 -13.2921 -13.2921 -2.1205 -2.1205 -1.8152 -1.8152 0.9788 0.9788 0.9875 0.9875 1.0718 1.0718 1.1932 1.1932 1.3209 1.3209 1.3337 1.3337 1.4266 1.4266 1.4728 1.4728 1.6206 1.6206 1.7068 1.7068 2.7869 2.7869 3.8983 3.8983 5.2028 5.2028 5.9397 5.9397 6.1548 6.1548 6.9314 6.9314 9.2670 9.2670 11.2307 11.2307 11.3218 11.3218 13.0515 13.0516 k = 0.4889 0.2823-0.0000 ( 3450 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1110 -2.1110 -1.8175 -1.8175 0.9805 0.9805 0.9864 0.9864 1.0728 1.0728 1.1961 1.1961 1.3226 1.3226 1.3311 1.3311 1.4275 1.4275 1.4758 1.4758 1.6264 1.6264 1.6980 1.6980 2.7752 2.7752 3.8885 3.8885 5.2194 5.2194 5.9359 5.9359 6.1360 6.1360 6.9279 6.9279 9.2629 9.2629 11.2325 11.2325 11.3141 11.3141 13.0775 13.0775 k = 0.5000 0.2887-0.0000 ( 3454 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1078 -2.1078 -1.8183 -1.8183 0.9813 0.9813 0.9859 0.9859 1.0731 1.0731 1.1971 1.1971 1.3236 1.3236 1.3298 1.3298 1.4278 1.4278 1.4769 1.4769 1.6288 1.6288 1.6944 1.6944 2.7713 2.7713 3.8853 3.8853 5.2252 5.2252 5.9347 5.9347 6.1295 6.1295 6.9268 6.9268 9.2616 9.2616 11.2331 11.2331 11.3115 11.3115 13.0864 13.0865 k = 0.5000 0.2887-0.0000 ( 3454 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1078 -2.1078 -1.8183 -1.8183 0.9813 0.9813 0.9859 0.9859 1.0731 1.0731 1.1971 1.1971 1.3236 1.3236 1.3298 1.3298 1.4278 1.4278 1.4769 1.4769 1.6288 1.6288 1.6944 1.6944 2.7713 2.7713 3.8853 3.8853 5.2252 5.2252 5.9347 5.9347 6.1295 6.1295 6.9268 6.9268 9.2616 9.2616 11.2331 11.2331 11.3115 11.3115 13.0864 13.0864 k = 0.4936 0.2998-0.0000 ( 3454 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2922 -13.2922 -2.1072 -2.1072 -1.8182 -1.8182 0.9812 0.9812 0.9861 0.9861 1.0728 1.0728 1.1972 1.1972 1.3220 1.3220 1.3315 1.3315 1.4278 1.4278 1.4773 1.4773 1.6286 1.6286 1.6947 1.6947 2.7724 2.7724 3.8846 3.8846 5.2262 5.2262 5.9253 5.9253 6.1297 6.1297 6.9231 6.9231 9.2729 9.2729 11.2337 11.2337 11.3142 11.3142 13.0872 13.0873 k = 0.4872 0.3109-0.0000 ( 3452 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3395 -13.3395 -13.2924 -13.2924 -2.1056 -2.1056 -1.8176 -1.8176 0.9811 0.9811 0.9867 0.9867 1.0721 1.0721 1.1976 1.1976 1.3191 1.3191 1.3347 1.3347 1.4277 1.4277 1.4787 1.4787 1.6282 1.6282 1.6955 1.6955 2.7759 2.7759 3.8826 3.8826 5.2294 5.2294 5.8973 5.8973 6.1303 6.1303 6.9124 6.9124 9.3064 9.3064 11.2356 11.2356 11.3222 11.3222 13.0884 13.0885 k = 0.4808 0.3220-0.0000 ( 3448 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3393 -13.3393 -13.2927 -13.2927 -2.1029 -2.1029 -1.8168 -1.8168 0.9810 0.9810 0.9877 0.9877 1.0708 1.0708 1.1982 1.1982 1.3163 1.3163 1.3381 1.3381 1.4275 1.4275 1.4809 1.4809 1.6276 1.6276 1.6968 1.6968 2.7818 2.7818 3.8793 3.8793 5.2348 5.2348 5.8522 5.8522 6.1311 6.1311 6.8947 6.8947 9.3608 9.3608 11.2388 11.2388 11.3349 11.3349 13.0847 13.0847 k = 0.4744 0.3331-0.0000 ( 3444 PWs) bands (ev): -32.3797 -32.3797 -13.6942 -13.6942 -13.3391 -13.3391 -13.2932 -13.2932 -2.0992 -2.0992 -1.8156 -1.8156 0.9810 0.9810 0.9888 0.9888 1.0692 1.0692 1.1991 1.1991 1.3136 1.3136 1.3415 1.3415 1.4273 1.4273 1.4838 1.4838 1.6268 1.6268 1.6986 1.6986 2.7899 2.7899 3.8746 3.8746 5.2423 5.2423 5.7916 5.7916 6.1323 6.1323 6.8706 6.8706 9.4341 9.4341 11.2433 11.2433 11.3516 11.3516 13.0609 13.0609 k = 0.4679 0.3442-0.0000 ( 3440 PWs) bands (ev): -32.3797 -32.3797 -13.6942 -13.6942 -13.3388 -13.3388 -13.2938 -13.2938 -2.0944 -2.0944 -1.8141 -1.8141 0.9811 0.9811 0.9901 0.9901 1.0672 1.0672 1.2000 1.2000 1.3114 1.3114 1.3447 1.3447 1.4271 1.4271 1.4874 1.4874 1.6261 1.6261 1.7009 1.7009 2.8004 2.8004 3.8685 3.8685 5.2519 5.2519 5.7178 5.7178 6.1336 6.1336 6.8405 6.8405 9.5242 9.5242 11.2489 11.2489 11.3713 11.3713 13.0025 13.0025 k = 0.4615 0.3553-0.0000 ( 3436 PWs) bands (ev): -32.3797 -32.3797 -13.6942 -13.6942 -13.3385 -13.3385 -13.2945 -13.2945 -2.0886 -2.0886 -1.8124 -1.8124 0.9815 0.9815 0.9915 0.9915 1.0650 1.0650 1.2011 1.2011 1.3095 1.3095 1.3477 1.3477 1.4267 1.4267 1.4914 1.4914 1.6254 1.6254 1.7037 1.7037 2.8131 2.8131 3.8609 3.8609 5.2636 5.2636 5.6331 5.6331 6.1350 6.1350 6.8053 6.8053 9.6285 9.6285 11.2557 11.2557 11.3927 11.3927 12.9192 12.9192 k = 0.4551 0.3664-0.0000 ( 3432 PWs) bands (ev): -32.3796 -32.3796 -13.6943 -13.6943 -13.3381 -13.3381 -13.2953 -13.2953 -2.0819 -2.0819 -1.8104 -1.8104 0.9820 0.9820 0.9929 0.9929 1.0624 1.0624 1.2023 1.2023 1.3080 1.3080 1.3505 1.3505 1.4263 1.4263 1.4956 1.4956 1.6251 1.6251 1.7069 1.7069 2.8282 2.8282 3.8519 3.8519 5.2774 5.2774 5.5396 5.5396 6.1363 6.1363 6.7655 6.7655 9.7447 9.7447 11.2636 11.2636 11.4147 11.4147 12.8235 12.8235 k = 0.4487 0.3775-0.0000 ( 3428 PWs) bands (ev): -32.3796 -32.3796 -13.6943 -13.6943 -13.3377 -13.3377 -13.2963 -13.2963 -2.0742 -2.0742 -1.8084 -1.8084 0.9827 0.9827 0.9944 0.9944 1.0598 1.0598 1.2036 1.2036 1.3070 1.3070 1.3531 1.3531 1.4259 1.4259 1.4997 1.4997 1.6251 1.6251 1.7107 1.7107 2.8455 2.8455 3.8414 3.8414 5.2932 5.2932 5.4395 5.4395 6.1375 6.1375 6.7221 6.7221 9.8704 9.8704 11.2725 11.2725 11.4362 11.4362 12.7221 12.7221 k = 0.4423 0.3886-0.0000 ( 3428 PWs) bands (ev): -32.3796 -32.3796 -13.6943 -13.6943 -13.3372 -13.3372 -13.2973 -13.2973 -2.0656 -2.0656 -1.8062 -1.8062 0.9836 0.9836 0.9959 0.9959 1.0571 1.0571 1.2049 1.2049 1.3063 1.3063 1.3555 1.3555 1.4254 1.4254 1.5035 1.5035 1.6256 1.6256 1.7151 1.7151 2.8651 2.8651 3.8294 3.8294 5.3106 5.3106 5.3351 5.3351 6.1383 6.1383 6.6758 6.6758 10.0037 10.0037 11.2823 11.2823 11.4562 11.4562 12.6186 12.6186 k = 0.4359 0.3997-0.0000 ( 3426 PWs) bands (ev): -32.3795 -32.3795 -13.6944 -13.6944 -13.3367 -13.3367 -13.2984 -13.2984 -2.0562 -2.0562 -1.8040 -1.8040 0.9847 0.9847 0.9975 0.9975 1.0543 1.0543 1.2061 1.2061 1.3060 1.3060 1.3577 1.3577 1.4249 1.4249 1.5068 1.5068 1.6268 1.6268 1.7201 1.7201 2.8870 2.8870 3.8157 3.8157 5.2260 5.2260 5.3315 5.3315 6.1386 6.1386 6.6274 6.6274 10.1424 10.1424 11.2929 11.2929 11.4742 11.4742 12.5151 12.5151 k = 0.4295 0.4108-0.0000 ( 3434 PWs) bands (ev): -32.3795 -32.3795 -13.6945 -13.6945 -13.3362 -13.3362 -13.2997 -13.2997 -2.0459 -2.0459 -1.8019 -1.8019 0.9860 0.9860 0.9989 0.9989 1.0515 1.0515 1.2074 1.2074 1.3059 1.3059 1.3599 1.3599 1.4243 1.4243 1.5092 1.5092 1.6287 1.6287 1.7258 1.7258 2.9110 2.9110 3.8005 3.8005 5.1162 5.1162 5.3535 5.3535 6.1381 6.1381 6.5778 6.5778 10.2849 10.2849 11.3041 11.3041 11.4895 11.4895 12.4134 12.4134 k = 0.4231 0.4219-0.0000 ( 3438 PWs) bands (ev): -32.3794 -32.3794 -13.6945 -13.6945 -13.3355 -13.3355 -13.3010 -13.3010 -2.0350 -2.0350 -1.7999 -1.7999 0.9874 0.9874 1.0005 1.0005 1.0488 1.0488 1.2087 1.2087 1.3061 1.3061 1.3621 1.3621 1.4236 1.4236 1.5108 1.5108 1.6311 1.6311 1.7323 1.7323 2.9372 2.9372 3.7836 3.7836 5.0058 5.0058 5.3776 5.3776 6.1366 6.1366 6.5276 6.5276 10.4293 10.4293 11.3158 11.3158 11.5023 11.5023 12.3149 12.3149 k = 0.4167 0.4330-0.0000 ( 3430 PWs) bands (ev): -32.3794 -32.3794 -13.6946 -13.6946 -13.3349 -13.3349 -13.3023 -13.3023 -2.0233 -2.0233 -1.7981 -1.7981 0.9889 0.9889 1.0020 1.0020 1.0463 1.0463 1.2101 1.2101 1.3065 1.3065 1.3644 1.3644 1.4230 1.4230 1.5115 1.5115 1.6341 1.6341 1.7394 1.7394 2.9655 2.9655 3.7650 3.7650 4.8961 4.8961 5.4036 5.4036 6.1339 6.1339 6.4775 6.4775 10.5742 10.5742 11.3279 11.3279 11.5125 11.5125 12.2208 12.2208 k = 0.4103 0.4441-0.0000 ( 3434 PWs) bands (ev): -32.3793 -32.3793 -13.6947 -13.6947 -13.3342 -13.3342 -13.3037 -13.3037 -2.0111 -2.0111 -1.7967 -1.7967 0.9905 0.9905 1.0035 1.0035 1.0439 1.0439 1.2114 1.2114 1.3069 1.3069 1.3669 1.3669 1.4223 1.4223 1.5114 1.5114 1.6374 1.6374 1.7473 1.7473 2.9958 2.9958 3.7449 3.7449 4.7881 4.7881 5.4315 5.4315 6.1298 6.1298 6.4283 6.4283 10.7177 10.7177 11.3403 11.3403 11.5204 11.5204 12.1321 12.1321 k = 0.4038 0.4552-0.0000 ( 3436 PWs) bands (ev): -32.3793 -32.3793 -13.6948 -13.6948 -13.3335 -13.3335 -13.3051 -13.3051 -1.9983 -1.9983 -1.7957 -1.7957 0.9921 0.9921 1.0050 1.0050 1.0417 1.0417 1.2128 1.2128 1.3073 1.3073 1.3696 1.3696 1.4215 1.4215 1.5105 1.5105 1.6408 1.6408 1.7558 1.7558 3.0280 3.0280 3.7231 3.7231 4.6828 4.6828 5.4614 5.4614 6.1239 6.1239 6.3804 6.3804 10.8581 10.8581 11.3531 11.3531 11.5265 11.5265 12.0501 12.0501 k = 0.3974 0.4663-0.0000 ( 3432 PWs) bands (ev): -32.3792 -32.3792 -13.6948 -13.6948 -13.3327 -13.3327 -13.3065 -13.3065 -1.9850 -1.9850 -1.7952 -1.7952 0.9937 0.9937 1.0066 1.0066 1.0397 1.0397 1.2142 1.2142 1.3076 1.3076 1.3725 1.3725 1.4208 1.4208 1.5090 1.5090 1.6444 1.6444 1.7646 1.7646 3.0619 3.0619 3.6998 3.6998 4.5812 4.5812 5.4931 5.4931 6.1162 6.1162 6.3345 6.3345 10.9926 10.9926 11.3668 11.3668 11.5311 11.5311 11.9761 11.9761 k = 0.3910 0.4774-0.0000 ( 3434 PWs) bands (ev): -32.3792 -32.3792 -13.6949 -13.6949 -13.3319 -13.3319 -13.3079 -13.3079 -1.9714 -1.9714 -1.7954 -1.7954 0.9951 0.9951 1.0082 1.0082 1.0378 1.0378 1.2156 1.2156 1.3078 1.3078 1.3758 1.3758 1.4199 1.4199 1.5071 1.5071 1.6479 1.6479 1.7737 1.7737 3.0975 3.0975 3.6751 3.6751 4.4841 4.4841 5.5266 5.5266 6.1062 6.1062 6.2910 6.2910 11.1165 11.1165 11.3841 11.3841 11.5349 11.5349 11.9115 11.9115 k = 0.3846 0.4885-0.0000 ( 3434 PWs) bands (ev): -32.3791 -32.3791 -13.6950 -13.6950 -13.3312 -13.3312 -13.3093 -13.3093 -1.9575 -1.9575 -1.7964 -1.7964 0.9965 0.9965 1.0098 1.0098 1.0362 1.0362 1.2170 1.2170 1.3079 1.3079 1.3793 1.3793 1.4190 1.4190 1.5049 1.5049 1.6513 1.6513 1.7827 1.7827 3.1345 3.1345 3.6491 3.6491 4.3924 4.3924 5.5618 5.5618 6.0937 6.0937 6.2502 6.2502 11.2189 11.2189 11.4128 11.4128 11.5383 11.5383 11.8588 11.8588 k = 0.3782 0.4996-0.0000 ( 3430 PWs) bands (ev): -32.3791 -32.3791 -13.6951 -13.6951 -13.3304 -13.3304 -13.3107 -13.3107 -1.9434 -1.9434 -1.7983 -1.7983 0.9977 0.9977 1.0115 1.0115 1.0348 1.0348 1.2184 1.2184 1.3078 1.3078 1.3830 1.3830 1.4181 1.4181 1.5025 1.5025 1.6546 1.6546 1.7914 1.7914 3.1726 3.1726 3.6220 3.6220 4.3072 4.3072 5.5987 5.5987 6.0786 6.0786 6.2127 6.2127 11.2819 11.2819 11.4662 11.4662 11.5418 11.5418 11.8218 11.8218 k = 0.3718 0.5107-0.0000 ( 3428 PWs) bands (ev): -32.3790 -32.3790 -13.6952 -13.6952 -13.3296 -13.3296 -13.3120 -13.3120 -1.9292 -1.9292 -1.8012 -1.8012 0.9986 0.9986 1.0132 1.0132 1.0336 1.0336 1.2198 1.2198 1.3075 1.3075 1.3869 1.3869 1.4171 1.4171 1.5002 1.5002 1.6577 1.6577 1.7993 1.7993 3.2113 3.2113 3.5939 3.5939 4.2295 4.2295 5.6371 5.6371 6.0606 6.0606 6.1786 6.1786 11.3062 11.3062 11.5324 11.5324 11.5484 11.5484 11.8084 11.8084 k = 0.3654 0.5218-0.0000 ( 3424 PWs) bands (ev): -32.3790 -32.3790 -13.6952 -13.6952 -13.3288 -13.3288 -13.3132 -13.3132 -1.9150 -1.9150 -1.8052 -1.8052 0.9994 0.9994 1.0148 1.0148 1.0326 1.0326 1.2211 1.2211 1.3072 1.3072 1.3908 1.3908 1.4160 1.4160 1.4979 1.4979 1.6607 1.6607 1.8064 1.8064 3.2502 3.2502 3.5652 3.5652 4.1604 4.1604 5.6769 5.6769 6.0396 6.0396 6.1483 6.1483 11.3110 11.3110 11.5481 11.5481 11.5885 11.5885 11.8318 11.8318 k = 0.3590 0.5329-0.0000 ( 3416 PWs) bands (ev): -32.3789 -32.3789 -13.6953 -13.6953 -13.3281 -13.3281 -13.3142 -13.3142 -1.9010 -1.9010 -1.8105 -1.8105 1.0000 1.0000 1.0163 1.0163 1.0319 1.0319 1.2223 1.2223 1.3068 1.3068 1.3947 1.3947 1.4148 1.4148 1.4959 1.4959 1.6635 1.6635 1.8123 1.8123 3.2886 3.2886 3.5361 3.5361 4.1011 4.1011 5.7180 5.7180 6.0154 6.0154 6.1221 6.1221 11.3074 11.3074 11.5539 11.5539 11.6088 11.6088 11.8932 11.8932 k = 0.3526 0.5440-0.0000 ( 3426 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3275 -13.3275 -13.3152 -13.3152 -1.8871 -1.8871 -1.8172 -1.8172 1.0004 1.0004 1.0176 1.0176 1.0313 1.0313 1.2234 1.2234 1.3063 1.3063 1.3983 1.3983 1.4135 1.4135 1.4942 1.4942 1.6660 1.6660 1.8168 1.8168 3.3256 3.3256 3.5071 3.5071 4.0529 4.0529 5.7600 5.7600 5.9880 5.9880 6.1004 6.1004 11.3003 11.3003 11.5604 11.5604 11.6115 11.6115 11.9729 11.9729 k = 0.3462 0.5551-0.0000 ( 3430 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3270 -13.3270 -13.3159 -13.3159 -1.8736 -1.8736 -1.8253 -1.8253 1.0006 1.0006 1.0185 1.0185 1.0309 1.0309 1.2241 1.2241 1.3059 1.3059 1.4014 1.4014 1.4122 1.4122 1.4929 1.4929 1.6680 1.6680 1.8199 1.8199 3.3601 3.3601 3.4786 3.4786 4.0173 4.0173 5.8026 5.8026 5.9572 5.9572 6.0835 6.0835 11.2930 11.2930 11.5684 11.5684 11.6074 11.6074 12.0546 12.0546 k = 0.3397 0.5662-0.0000 ( 3438 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3268 -13.3268 -13.3164 -13.3164 -1.8607 -1.8607 -1.8349 -1.8349 1.0007 1.0007 1.0191 1.0191 1.0307 1.0307 1.2247 1.2247 1.3056 1.3056 1.4038 1.4038 1.4109 1.4109 1.4921 1.4921 1.6694 1.6694 1.8216 1.8216 3.3905 3.3905 3.4518 3.4518 3.9954 3.9954 5.8448 5.8448 5.9230 5.9230 6.0722 6.0722 11.2876 11.2876 11.5778 11.5778 11.6000 11.6000 12.1287 12.1287 k = 0.3333 0.5774-0.0000 ( 3450 PWs) bands (ev): -32.3789 -32.3789 -13.6956 -13.6956 -13.3267 -13.3267 -13.3165 -13.3165 -1.8514 -1.8514 -1.8430 -1.8430 1.0008 1.0008 1.0193 1.0193 1.0306 1.0306 1.2248 1.2248 1.3054 1.3054 1.4048 1.4048 1.4103 1.4103 1.4918 1.4918 1.6699 1.6699 1.8221 1.8221 3.4086 3.4086 3.4349 3.4349 3.9881 3.9881 5.8837 5.8837 5.8874 5.8874 6.0680 6.0680 11.2856 11.2856 11.5870 11.5870 11.5915 11.5915 12.1821 12.1821 k = 0.3333 0.5774-0.0000 ( 3450 PWs) bands (ev): -32.3789 -32.3789 -13.6956 -13.6956 -13.3267 -13.3267 -13.3165 -13.3165 -1.8514 -1.8514 -1.8430 -1.8430 1.0008 1.0008 1.0193 1.0193 1.0306 1.0306 1.2248 1.2248 1.3054 1.3054 1.4048 1.4048 1.4103 1.4103 1.4918 1.4918 1.6699 1.6699 1.8221 1.8221 3.4086 3.4086 3.4349 3.4349 3.9881 3.9881 5.8837 5.8837 5.8874 5.8874 6.0680 6.0680 11.2856 11.2856 11.5870 11.5870 11.5915 11.5915 12.1821 12.1821 k = 0.3269 0.5662-0.0000 ( 3434 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3267 -13.3267 -13.3164 -13.3164 -1.8613 -1.8613 -1.8343 -1.8343 1.0008 1.0008 1.0192 1.0192 1.0307 1.0307 1.2247 1.2247 1.3056 1.3056 1.4039 1.4039 1.4109 1.4109 1.4921 1.4921 1.6693 1.6693 1.8218 1.8218 3.3930 3.3930 3.4496 3.4496 3.9953 3.9953 5.8448 5.8448 5.9221 5.9221 6.0732 6.0732 11.2878 11.2878 11.5752 11.5752 11.6024 11.6024 12.1387 12.1387 k = 0.3205 0.5551-0.0000 ( 3438 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3270 -13.3270 -13.3160 -13.3160 -1.8763 -1.8763 -1.8231 -1.8231 1.0006 1.0006 1.0186 1.0186 1.0306 1.0306 1.2240 1.2240 1.3060 1.3060 1.4018 1.4018 1.4117 1.4117 1.4927 1.4927 1.6670 1.6670 1.8209 1.8209 3.3710 3.3710 3.4702 3.4702 4.0161 4.0161 5.8011 5.8011 5.9513 5.9513 6.0909 6.0909 11.2948 11.2948 11.5575 11.5575 11.6170 11.6170 12.0901 12.0901 k = 0.3141 0.5440-0.0000 ( 3434 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3273 -13.3273 -13.3153 -13.3153 -1.8934 -1.8934 -1.8125 -1.8125 1.0004 1.0004 1.0178 1.0178 1.0304 1.0304 1.2228 1.2228 1.3068 1.3068 1.3990 1.3990 1.4123 1.4123 1.4936 1.4936 1.6629 1.6629 1.8201 1.8201 3.3508 3.3508 3.4904 3.4904 4.0490 4.0490 5.7545 5.7545 5.9722 5.9722 6.1220 6.1220 11.3065 11.3065 11.5359 11.5359 11.6335 11.6335 12.0421 12.0421 k = 0.3077 0.5329-0.0000 ( 3430 PWs) bands (ev): -32.3790 -32.3790 -13.6952 -13.6952 -13.3277 -13.3277 -13.3146 -13.3146 -1.9127 -1.9127 -1.8027 -1.8027 1.0001 1.0001 1.0168 1.0168 1.0299 1.0299 1.2210 1.2210 1.3079 1.3079 1.3957 1.3957 1.4126 1.4126 1.4946 1.4946 1.6568 1.6568 1.8196 1.8196 3.3335 3.3335 3.5114 3.5114 4.0919 4.0919 5.7054 5.7054 5.9877 5.9877 6.1633 6.1633 11.3219 11.3219 11.5111 11.5111 11.6515 11.6515 11.9948 11.9948 k = 0.3013 0.5218-0.0000 ( 3428 PWs) bands (ev): -32.3790 -32.3790 -13.6951 -13.6951 -13.3281 -13.3281 -13.3137 -13.3137 -1.9340 -1.9340 -1.7937 -1.7937 0.9997 0.9997 1.0155 1.0155 1.0291 1.0291 1.2187 1.2187 1.3093 1.3093 1.3920 1.3920 1.4127 1.4127 1.4954 1.4954 1.6487 1.6487 1.8197 1.8197 3.3197 3.3197 3.5343 3.5343 4.1429 4.1429 5.6540 5.6540 6.0015 6.0015 6.2112 6.2112 11.3383 11.3383 11.4860 11.4860 11.6707 11.6707 11.9487 11.9487 k = 0.2949 0.5107-0.0000 ( 3428 PWs) bands (ev): -32.3791 -32.3791 -13.6949 -13.6949 -13.3285 -13.3285 -13.3127 -13.3127 -1.9575 -1.9575 -1.7858 -1.7858 0.9991 0.9991 1.0139 1.0139 1.0280 1.0280 1.2157 1.2157 1.3112 1.3112 1.3879 1.3879 1.4124 1.4124 1.4960 1.4960 1.6392 1.6392 1.8203 1.8203 3.3102 3.3102 3.5602 3.5602 4.2003 4.2003 5.6007 5.6007 6.0159 6.0159 6.2632 6.2632 11.3478 11.3478 11.4689 11.4689 11.6903 11.6903 11.9045 11.9045 k = 0.2885 0.4996-0.0000 ( 3440 PWs) bands (ev): -32.3791 -32.3791 -13.6947 -13.6947 -13.3288 -13.3288 -13.3117 -13.3117 -1.9830 -1.9830 -1.7789 -1.7789 0.9984 0.9984 1.0120 1.0120 1.0265 1.0265 1.2122 1.2122 1.3133 1.3133 1.3833 1.3833 1.4119 1.4119 1.4959 1.4959 1.6286 1.6286 1.8211 1.8211 3.3054 3.3054 3.5897 3.5897 4.2627 4.2627 5.5460 5.5460 6.0321 6.0321 6.3178 6.3178 11.3371 11.3371 11.4734 11.4734 11.7081 11.7081 11.8644 11.8644 k = 0.2821 0.4885-0.0000 ( 3426 PWs) bands (ev): -32.3792 -32.3792 -13.6944 -13.6944 -13.3290 -13.3290 -13.3106 -13.3106 -2.0106 -2.0106 -1.7731 -1.7731 0.9975 0.9975 1.0099 1.0099 1.0250 1.0250 1.2081 1.2081 1.3158 1.3158 1.3786 1.3786 1.4113 1.4113 1.4953 1.4953 1.6179 1.6179 1.8219 1.8219 3.3058 3.3058 3.6232 3.6232 4.3291 4.3291 5.4905 5.4905 6.0506 6.0506 6.3745 6.3745 11.3058 11.3058 11.5000 11.5000 11.7183 11.7183 11.8344 11.8344 k = 0.2756 0.4774-0.0000 ( 3422 PWs) bands (ev): -32.3793 -32.3793 -13.6940 -13.6940 -13.3292 -13.3292 -13.3095 -13.3095 -2.0402 -2.0402 -1.7684 -1.7684 0.9964 0.9964 1.0073 1.0073 1.0234 1.0234 1.2034 1.2034 1.3185 1.3185 1.3734 1.3734 1.4103 1.4103 1.4937 1.4937 1.6076 1.6076 1.8223 1.8223 3.3118 3.3118 3.6606 3.6606 4.3985 4.3985 5.4349 5.4349 6.0717 6.0717 6.4328 6.4328 11.2639 11.2639 11.5390 11.5390 11.7091 11.7091 11.8258 11.8258 k = 0.2692 0.4663-0.0000 ( 3422 PWs) bands (ev): -32.3794 -32.3794 -13.6936 -13.6936 -13.3293 -13.3293 -13.3084 -13.3084 -2.0717 -2.0717 -1.7650 -1.7650 0.9951 0.9951 1.0042 1.0042 1.0217 1.0217 1.1982 1.1982 1.3214 1.3214 1.3681 1.3681 1.4091 1.4091 1.4913 1.4913 1.5984 1.5984 1.8219 1.8219 3.3238 3.3238 3.7016 3.7016 4.4700 4.4700 5.3801 5.3801 6.0955 6.0955 6.4923 6.4923 11.2168 11.2168 11.5848 11.5848 11.6804 11.6804 11.8390 11.8390 k = 0.2628 0.4552-0.0000 ( 3416 PWs) bands (ev): -32.3795 -32.3795 -13.6931 -13.6931 -13.3292 -13.3292 -13.3073 -13.3073 -2.1052 -2.1052 -1.7627 -1.7627 0.9934 0.9934 1.0007 1.0007 1.0202 1.0202 1.1925 1.1925 1.3246 1.3246 1.3627 1.3627 1.4075 1.4075 1.4881 1.4881 1.5906 1.5906 1.8205 1.8205 3.3420 3.3420 3.7458 3.7458 4.5424 4.5424 5.3273 5.3273 6.1221 6.1221 6.5529 6.5529 11.1672 11.1672 11.6314 11.6314 11.6461 11.6461 11.8628 11.8628 k = 0.2564 0.4441-0.0000 ( 3416 PWs) bands (ev): -32.3796 -32.3796 -13.6926 -13.6926 -13.3291 -13.3291 -13.3061 -13.3061 -2.1404 -2.1404 -1.7617 -1.7617 0.9911 0.9911 0.9969 0.9969 1.0187 1.0187 1.1863 1.1863 1.3277 1.3277 1.3574 1.3574 1.4054 1.4054 1.4844 1.4844 1.5844 1.5844 1.8179 1.8179 3.3667 3.3667 3.7927 3.7927 4.6145 4.6145 5.2783 5.2783 6.1514 6.1514 6.6145 6.6145 11.1161 11.1161 11.6012 11.6012 11.6879 11.6879 11.8910 11.8910 k = 0.2500 0.4330-0.0000 ( 3424 PWs) bands (ev): -32.3798 -32.3798 -13.6921 -13.6921 -13.3290 -13.3290 -13.3049 -13.3049 -2.1772 -2.1772 -1.7619 -1.7619 0.9877 0.9877 0.9935 0.9935 1.0174 1.0174 1.1797 1.1797 1.3306 1.3306 1.3523 1.3523 1.4028 1.4028 1.4804 1.4804 1.5798 1.5798 1.8139 1.8139 3.3979 3.3979 3.8412 3.8412 4.6842 4.6842 5.2357 5.2357 6.1835 6.1835 6.6768 6.6768 11.0646 11.0646 11.5601 11.5601 11.7393 11.7393 11.9212 11.9212 k = 0.2436 0.4219-0.0000 ( 3420 PWs) bands (ev): -32.3799 -32.3799 -13.6914 -13.6914 -13.3287 -13.3287 -13.3037 -13.3037 -2.2156 -2.2156 -1.7633 -1.7633 0.9831 0.9831 0.9907 0.9907 1.0161 1.0161 1.1729 1.1729 1.3327 1.3327 1.3485 1.3485 1.3996 1.3996 1.4766 1.4766 1.5764 1.5764 1.8086 1.8086 3.4357 3.4357 3.8903 3.8903 4.7483 4.7483 5.2038 5.2038 6.2183 6.2183 6.7398 6.7398 11.0132 11.0132 11.5189 11.5189 11.7871 11.7871 11.9521 11.9521 k = 0.2372 0.4108-0.0000 ( 3416 PWs) bands (ev): -32.3801 -32.3801 -13.6907 -13.6907 -13.3283 -13.3283 -13.3025 -13.3025 -2.2554 -2.2554 -1.7660 -1.7660 0.9776 0.9776 0.9884 0.9884 1.0149 1.0149 1.1658 1.1658 1.3323 1.3323 1.3473 1.3473 1.3960 1.3960 1.4734 1.4734 1.5741 1.5741 1.8021 1.8021 3.4798 3.4798 3.9385 3.9385 4.8020 4.8020 5.1888 5.1888 6.2557 6.2557 6.8034 6.8034 10.9624 10.9624 11.4782 11.4782 11.8265 11.8265 11.9827 11.9827 k = 0.2308 0.3997-0.0000 ( 3420 PWs) bands (ev): -32.3802 -32.3802 -13.6900 -13.6900 -13.3279 -13.3279 -13.3013 -13.3013 -2.2964 -2.2964 -1.7698 -1.7698 0.9716 0.9716 0.9861 0.9861 1.0136 1.0136 1.1585 1.1585 1.3292 1.3292 1.3491 1.3491 1.3919 1.3919 1.4708 1.4708 1.5725 1.5725 1.7943 1.7943 3.5303 3.5303 3.9835 3.9835 4.8400 4.8400 5.1976 5.1976 6.2958 6.2958 6.8673 6.8673 10.9126 10.9126 11.4382 11.4382 11.8519 11.8519 12.0123 12.0123 k = 0.2244 0.3886-0.0000 ( 3414 PWs) bands (ev): -32.3804 -32.3804 -13.6892 -13.6892 -13.3273 -13.3273 -13.3000 -13.3000 -2.3384 -2.3384 -1.7748 -1.7748 0.9653 0.9653 0.9839 0.9839 1.0122 1.0122 1.1513 1.1513 1.3250 1.3250 1.3522 1.3522 1.3876 1.3876 1.4689 1.4689 1.5715 1.5715 1.7855 1.7855 3.5869 3.5869 4.0230 4.0230 4.8626 4.8626 5.2327 5.2327 6.3383 6.3383 6.9316 6.9316 10.8642 10.8642 11.3990 11.3990 11.8603 11.8603 12.0397 12.0397 k = 0.2179 0.3775-0.0000 ( 3414 PWs) bands (ev): -32.3806 -32.3806 -13.6884 -13.6884 -13.3267 -13.3267 -13.2988 -13.2988 -2.3814 -2.3814 -1.7808 -1.7808 0.9589 0.9589 0.9816 0.9816 1.0108 1.0108 1.1441 1.1441 1.3205 1.3205 1.3557 1.3557 1.3835 1.3835 1.4676 1.4676 1.5709 1.5709 1.7758 1.7758 3.6493 3.6493 4.0540 4.0540 4.8775 4.8775 5.2887 5.2887 6.3834 6.3834 6.9960 6.9960 10.8174 10.8174 11.3607 11.3607 11.8534 11.8534 12.0640 12.0640 k = 0.2115 0.3664-0.0000 ( 3414 PWs) bands (ev): -32.3808 -32.3808 -13.6875 -13.6875 -13.3260 -13.3260 -13.2975 -13.2975 -2.4251 -2.4251 -1.7880 -1.7880 0.9525 0.9525 0.9793 0.9793 1.0091 1.0091 1.1371 1.1371 1.3160 1.3160 1.3588 1.3588 1.3800 1.3800 1.4670 1.4670 1.5705 1.5705 1.7653 1.7653 3.7174 3.7174 4.0735 4.0735 4.8952 4.8952 5.3581 5.3581 6.4309 6.4309 7.0604 7.0604 10.7726 10.7726 11.3235 11.3235 11.8353 11.8353 12.0839 12.0839 k = 0.2051 0.3553-0.0000 ( 3420 PWs) bands (ev): -32.3810 -32.3810 -13.6866 -13.6866 -13.3253 -13.3253 -13.2961 -13.2961 -2.4694 -2.4694 -1.7961 -1.7961 0.9462 0.9462 0.9770 0.9770 1.0074 1.0074 1.1303 1.1303 1.3118 1.3118 1.3603 1.3603 1.3783 1.3783 1.4668 1.4668 1.5702 1.5702 1.7544 1.7544 3.7909 3.7909 4.0796 4.0796 4.9229 4.9229 5.4354 5.4354 6.4807 6.4807 7.1248 7.1248 10.7298 10.7298 11.2872 11.2872 11.8097 11.8097 12.0984 12.0984 k = 0.1987 0.3442-0.0000 ( 3420 PWs) bands (ev): -32.3812 -32.3812 -13.6856 -13.6856 -13.3246 -13.3246 -13.2948 -13.2948 -2.5141 -2.5141 -1.8051 -1.8051 0.9401 0.9401 0.9747 0.9747 1.0054 1.0054 1.1237 1.1237 1.3078 1.3078 1.3593 1.3593 1.3794 1.3794 1.4669 1.4669 1.5700 1.5700 1.7431 1.7431 3.8695 3.8695 4.0720 4.0720 4.9641 4.9641 5.5172 5.5172 6.5327 6.5327 7.1889 7.1889 10.6893 10.6893 11.2519 11.2519 11.7791 11.7791 12.1062 12.1062 k = 0.1923 0.3331-0.0000 ( 3422 PWs) bands (ev): -32.3814 -32.3814 -13.6846 -13.6846 -13.3237 -13.3237 -13.2934 -13.2934 -2.5589 -2.5589 -1.8150 -1.8150 0.9342 0.9342 0.9723 0.9723 1.0034 1.0034 1.1174 1.1174 1.3042 1.3042 1.3564 1.3564 1.3826 1.3826 1.4674 1.4674 1.5698 1.5698 1.7316 1.7316 3.9528 3.9528 4.0520 4.0520 5.0194 5.0194 5.6015 5.6015 6.5870 6.5870 7.2526 7.2526 10.6514 10.6514 11.2176 11.2176 11.7449 11.7449 12.1062 12.1062 k = 0.1859 0.3220-0.0000 ( 3418 PWs) bands (ev): -32.3817 -32.3817 -13.6836 -13.6836 -13.3229 -13.3229 -13.2920 -13.2920 -2.6039 -2.6039 -1.8256 -1.8256 0.9286 0.9286 0.9699 0.9699 1.0013 1.0013 1.1114 1.1114 1.3008 1.3008 1.3527 1.3527 1.3870 1.3870 1.4682 1.4682 1.5695 1.5695 1.7200 1.7200 4.0200 4.0200 4.0424 4.0424 5.0875 5.0875 5.6872 5.6872 6.6434 6.6434 7.3159 7.3159 10.6160 10.6160 11.1841 11.1841 11.7081 11.7081 12.0980 12.0980 k = 0.1795 0.3109-0.0000 ( 3422 PWs) bands (ev): -32.3819 -32.3819 -13.6826 -13.6826 -13.3220 -13.3220 -13.2905 -13.2905 -2.6487 -2.6487 -1.8369 -1.8369 0.9233 0.9233 0.9674 0.9674 0.9991 0.9991 1.1057 1.1057 1.2977 1.2977 1.3488 1.3488 1.3917 1.3917 1.4691 1.4691 1.5691 1.5691 1.7086 1.7086 3.9829 3.9829 4.1337 4.1337 5.1665 5.1665 5.7733 5.7733 6.7019 6.7019 7.3784 7.3784 10.5832 10.5832 11.1513 11.1513 11.6695 11.6695 12.0812 12.0812 k = 0.1731 0.2998-0.0000 ( 3422 PWs) bands (ev): -32.3821 -32.3821 -13.6815 -13.6815 -13.3211 -13.3211 -13.2890 -13.2890 -2.6933 -2.6933 -1.8488 -1.8488 0.9184 0.9184 0.9648 0.9648 0.9968 0.9968 1.1003 1.1003 1.2949 1.2949 1.3449 1.3449 1.3966 1.3966 1.4703 1.4703 1.5686 1.5686 1.6975 1.6975 3.9390 3.9390 4.2302 4.2302 5.2546 5.2546 5.8594 5.8594 6.7623 6.7623 7.4401 7.4401 10.5533 10.5533 11.1189 11.1189 11.6296 11.6296 12.0562 12.0562 k = 0.1667 0.2887-0.0000 ( 3430 PWs) bands (ev): -32.3824 -32.3824 -13.6805 -13.6805 -13.3202 -13.3202 -13.2875 -13.2875 -2.7374 -2.7374 -1.8613 -1.8613 0.9137 0.9137 0.9622 0.9622 0.9947 0.9947 1.0953 1.0953 1.2923 1.2923 1.3411 1.3411 1.4014 1.4014 1.4718 1.4718 1.5679 1.5679 1.6867 1.6867 3.8913 3.8913 4.3305 4.3305 5.3502 5.3502 5.9448 5.9448 6.8246 6.8246 7.5009 7.5009 10.5261 10.5261 11.0866 11.0866 11.5888 11.5888 12.0239 12.0239 k = 0.1603 0.2776-0.0000 ( 3430 PWs) bands (ev): -32.3826 -32.3826 -13.6794 -13.6794 -13.3193 -13.3193 -13.2860 -13.2860 -2.7810 -2.7810 -1.8741 -1.8741 0.9095 0.9095 0.9594 0.9594 0.9926 0.9926 1.0905 1.0905 1.2900 1.2900 1.3376 1.3376 1.4060 1.4060 1.4735 1.4735 1.5669 1.5669 1.6764 1.6764 3.8411 3.8411 4.4346 4.4346 5.4521 5.4521 6.0292 6.0292 6.8887 6.8887 7.5604 7.5604 10.5017 10.5017 11.0538 11.0538 11.5476 11.5476 11.9855 11.9855 k = 0.1538 0.2665-0.0000 ( 3424 PWs) bands (ev): -32.3829 -32.3829 -13.6783 -13.6783 -13.3184 -13.3184 -13.2843 -13.2843 -2.8239 -2.8239 -1.8873 -1.8873 0.9056 0.9056 0.9566 0.9566 0.9907 0.9907 1.0860 1.0860 1.2879 1.2879 1.3343 1.3343 1.4103 1.4103 1.4757 1.4757 1.5658 1.5658 1.6668 1.6668 3.7894 3.7894 4.5421 4.5421 5.5592 5.5592 6.1123 6.1123 6.9544 6.9544 7.6187 7.6187 10.4800 10.4800 11.0201 11.0201 11.5061 11.5061 11.9427 11.9427 k = 0.1474 0.2554-0.0000 ( 3428 PWs) bands (ev): -32.3831 -32.3831 -13.6773 -13.6773 -13.3175 -13.3175 -13.2827 -13.2827 -2.8659 -2.8659 -1.9007 -1.9007 0.9020 0.9020 0.9537 0.9537 0.9890 0.9890 1.0817 1.0817 1.2861 1.2861 1.3312 1.3312 1.4141 1.4141 1.4783 1.4783 1.5643 1.5643 1.6578 1.6578 3.7370 3.7370 4.6527 4.6527 5.6709 5.6709 6.1938 6.1938 7.0217 7.0217 7.6755 7.6755 10.4608 10.4608 10.9845 10.9845 11.4646 11.4646 11.8973 11.8973 k = 0.1410 0.2443-0.0000 ( 3426 PWs) bands (ev): -32.3834 -32.3834 -13.6762 -13.6762 -13.3167 -13.3167 -13.2810 -13.2810 -2.9070 -2.9070 -1.9143 -1.9143 0.8987 0.8987 0.9508 0.9508 0.9875 0.9875 1.0777 1.0777 1.2845 1.2845 1.3284 1.3284 1.4172 1.4172 1.4813 1.4813 1.5626 1.5626 1.6496 1.6496 3.6845 3.6845 4.7664 4.7664 5.7864 5.7864 6.2734 6.2734 7.0904 7.0904 7.7306 7.7306 10.4440 10.4440 10.9463 10.9463 11.4235 11.4235 11.8512 11.8512 k = 0.1346 0.2332-0.0000 ( 3426 PWs) bands (ev): -32.3836 -32.3836 -13.6752 -13.6752 -13.3158 -13.3158 -13.2793 -13.2793 -2.9470 -2.9470 -1.9280 -1.9280 0.8958 0.8958 0.9477 0.9477 0.9862 0.9862 1.0738 1.0738 1.2830 1.2830 1.3258 1.3258 1.4195 1.4195 1.4850 1.4850 1.5605 1.5605 1.6423 1.6423 3.6324 3.6324 4.8827 4.8827 5.9049 5.9049 6.3510 6.3510 7.1604 7.1604 7.7839 7.7839 10.4294 10.4294 10.9043 10.9043 11.3828 11.3828 11.8062 11.8062 k = 0.1282 0.2221-0.0000 ( 3420 PWs) bands (ev): -32.3838 -32.3838 -13.6741 -13.6741 -13.3150 -13.3150 -13.2775 -13.2775 -2.9858 -2.9858 -1.9416 -1.9416 0.8930 0.8930 0.9447 0.9447 0.9853 0.9853 1.0702 1.0702 1.2819 1.2819 1.3234 1.3234 1.4210 1.4210 1.4893 1.4893 1.5583 1.5583 1.6359 1.6359 3.5811 3.5811 5.0016 5.0016 6.0259 6.0259 6.4268 6.4268 7.2315 7.2315 7.8352 7.8352 10.4166 10.4166 10.8577 10.8577 11.3428 11.3428 11.7643 11.7643 k = 0.1218 0.2110-0.0000 ( 3418 PWs) bands (ev): -32.3841 -32.3841 -13.6732 -13.6732 -13.3142 -13.3142 -13.2758 -13.2758 -3.0233 -3.0233 -1.9551 -1.9551 0.8905 0.8905 0.9416 0.9416 0.9846 0.9846 1.0667 1.0667 1.2809 1.2809 1.3213 1.3213 1.4217 1.4217 1.4940 1.4940 1.5558 1.5558 1.6303 1.6303 3.5309 3.5309 5.1227 5.1227 6.1482 6.1482 6.5010 6.5010 7.3035 7.3035 7.8845 7.8845 10.4051 10.4051 10.8053 10.8053 11.3035 11.3035 11.7270 11.7270 k = 0.1154 0.1999-0.0000 ( 3419 PWs) bands (ev): -32.3843 -32.3843 -13.6722 -13.6722 -13.3135 -13.3135 -13.2740 -13.2740 -3.0594 -3.0594 -1.9684 -1.9684 0.8882 0.8882 0.9386 0.9386 0.9841 0.9841 1.0634 1.0634 1.2800 1.2800 1.3193 1.3193 1.4215 1.4215 1.4990 1.4990 1.5533 1.5533 1.6256 1.6256 3.4821 3.4821 5.2458 5.2458 6.2706 6.2706 6.5745 6.5745 7.3763 7.3763 7.9315 7.9315 10.3947 10.3947 10.7465 10.7465 11.2652 11.2652 11.6956 11.6956 k = 0.1090 0.1887-0.0000 ( 3419 PWs) bands (ev): -32.3845 -32.3845 -13.6713 -13.6713 -13.3128 -13.3128 -13.2722 -13.2722 -3.0941 -3.0941 -1.9815 -1.9815 0.8860 0.8860 0.9356 0.9356 0.9840 0.9840 1.0602 1.0602 1.2794 1.2794 1.3174 1.3174 1.4206 1.4206 1.5042 1.5042 1.5510 1.5510 1.6216 1.6216 3.4348 3.4348 5.3706 5.3706 6.3905 6.3905 6.6493 6.6493 7.4497 7.4497 7.9762 7.9762 10.3848 10.3848 10.6808 10.6808 11.2278 11.2278 11.6709 11.6709 k = 0.1026 0.1776-0.0000 ( 3421 PWs) bands (ev): -32.3848 -32.3848 -13.6704 -13.6704 -13.3122 -13.3122 -13.2705 -13.2705 -3.1271 -3.1271 -1.9942 -1.9942 0.8840 0.8840 0.9328 0.9328 0.9841 0.9841 1.0572 1.0572 1.2790 1.2790 1.3158 1.3158 1.4190 1.4190 1.5092 1.5092 1.5492 1.5492 1.6182 1.6182 3.3893 3.3893 5.4968 5.4968 6.5037 6.5037 6.7291 6.7291 7.5232 7.5232 8.0185 8.0185 10.3750 10.3750 10.6083 10.6083 11.1915 11.1915 11.6532 11.6533 k = 0.0962 0.1665-0.0000 ( 3419 PWs) bands (ev): -32.3850 -32.3850 -13.6696 -13.6696 -13.3116 -13.3116 -13.2687 -13.2687 -3.1586 -3.1586 -2.0065 -2.0065 0.8821 0.8821 0.9300 0.9300 0.9844 0.9844 1.0542 1.0542 1.2787 1.2787 1.3143 1.3143 1.4169 1.4169 1.5136 1.5136 1.5483 1.5483 1.6155 1.6155 3.3456 3.3456 5.6240 5.6240 6.6039 6.6039 6.8198 6.8198 7.5968 7.5968 8.0583 8.0583 10.3649 10.3649 10.5293 10.5293 11.1561 11.1561 11.6424 11.6424 k = 0.0897 0.1554-0.0000 ( 3423 PWs) bands (ev): -32.3852 -32.3852 -13.6688 -13.6688 -13.3110 -13.3110 -13.2671 -13.2671 -3.1883 -3.1883 -2.0184 -2.0184 0.8804 0.8804 0.9273 0.9273 0.9850 0.9850 1.0514 1.0514 1.2786 1.2786 1.3129 1.3129 1.4142 1.4142 1.5169 1.5169 1.5487 1.5487 1.6132 1.6132 3.3041 3.3041 5.7517 5.7517 6.6866 6.6866 6.9255 6.9255 7.6699 7.6699 8.0954 8.0954 10.3540 10.3540 10.4445 10.4445 11.1218 11.1218 11.6377 11.6377 k = 0.0833 0.1443-0.0000 ( 3421 PWs) bands (ev): -32.3854 -32.3854 -13.6681 -13.6681 -13.3105 -13.3105 -13.2654 -13.2654 -3.2163 -3.2163 -2.0297 -2.0297 0.8787 0.8787 0.9249 0.9249 0.9858 0.9858 1.0488 1.0488 1.2787 1.2787 1.3116 1.3116 1.4112 1.4112 1.5186 1.5186 1.5509 1.5509 1.6113 1.6113 3.2648 3.2648 5.8796 5.8796 6.7531 6.7531 7.0444 7.0444 7.7423 7.7423 8.1300 8.1300 10.3417 10.3417 10.3552 10.3552 11.0882 11.0882 11.6374 11.6374 k = 0.0769 0.1332-0.0000 ( 3419 PWs) bands (ev): -32.3856 -32.3856 -13.6674 -13.6674 -13.3100 -13.3100 -13.2638 -13.2638 -3.2424 -3.2424 -2.0404 -2.0404 0.8772 0.8772 0.9225 0.9225 0.9868 0.9868 1.0462 1.0462 1.2789 1.2789 1.3105 1.3105 1.4080 1.4080 1.5190 1.5190 1.5546 1.5546 1.6098 1.6098 3.2278 3.2278 6.0070 6.0070 6.8078 6.8078 7.1718 7.1718 7.8134 7.8134 8.1620 8.1620 10.2608 10.2608 10.3292 10.3292 11.0553 11.0553 11.6383 11.6383 k = 0.0705 0.1221-0.0000 ( 3421 PWs) bands (ev): -32.3857 -32.3857 -13.6667 -13.6667 -13.3096 -13.3096 -13.2623 -13.2623 -3.2666 -3.2666 -2.0504 -2.0504 0.8757 0.8757 0.9203 0.9203 0.9880 0.9880 1.0437 1.0437 1.2793 1.2793 1.3094 1.3094 1.4045 1.4045 1.5184 1.5184 1.5592 1.5592 1.6085 1.6085 3.1932 3.1932 6.1334 6.1334 6.8540 6.8540 7.3035 7.3035 7.8827 7.8827 8.1914 8.1914 10.1643 10.1643 10.3145 10.3145 11.0227 11.0227 11.6303 11.6303 k = 0.0641 0.1110-0.0000 ( 3425 PWs) bands (ev): -32.3859 -32.3859 -13.6662 -13.6662 -13.3092 -13.3092 -13.2609 -13.2609 -3.2889 -3.2889 -2.0597 -2.0597 0.8743 0.8743 0.9183 0.9183 0.9893 0.9893 1.0413 1.0413 1.2797 1.2797 1.3085 1.3085 1.4009 1.4009 1.5173 1.5173 1.5644 1.5644 1.6075 1.6075 3.1612 3.1612 6.2579 6.2579 6.8937 6.8937 7.4370 7.4370 7.9495 7.9495 8.2183 8.2183 10.0661 10.0661 10.2981 10.2981 10.9898 10.9898 11.5930 11.5930 k = 0.0577 0.0999-0.0000 ( 3419 PWs) bands (ev): -32.3860 -32.3860 -13.6656 -13.6656 -13.3088 -13.3088 -13.2595 -13.2595 -3.3092 -3.3092 -2.0683 -2.0683 0.8731 0.8731 0.9165 0.9165 0.9908 0.9908 1.0391 1.0391 1.2803 1.2803 1.3077 1.3077 1.3974 1.3974 1.5161 1.5161 1.5697 1.5697 1.6067 1.6067 3.1319 3.1319 6.3796 6.3796 6.9282 6.9282 7.5704 7.5704 8.0132 8.0132 8.2428 8.2428 9.9677 9.9677 10.2800 10.2800 10.9559 10.9559 11.5261 11.5261 k = 0.0513 0.0888-0.0000 ( 3417 PWs) bands (ev): -32.3862 -32.3862 -13.6651 -13.6651 -13.3085 -13.3085 -13.2583 -13.2583 -3.3274 -3.3274 -2.0761 -2.0761 0.8720 0.8720 0.9148 0.9148 0.9923 0.9923 1.0369 1.0369 1.2809 1.2809 1.3070 1.3070 1.3939 1.3939 1.5148 1.5148 1.5749 1.5749 1.6061 1.6061 3.1054 3.1054 6.4973 6.4973 6.9579 6.9579 7.7019 7.7019 8.0727 8.0727 8.2652 8.2652 9.8704 9.8704 10.2596 10.2596 10.9199 10.9199 11.4493 11.4493 k = 0.0449 0.0777-0.0000 ( 3415 PWs) bands (ev): -32.3863 -32.3863 -13.6647 -13.6647 -13.3082 -13.3082 -13.2572 -13.2572 -3.3436 -3.3436 -2.0831 -2.0831 0.8709 0.8709 0.9133 0.9133 0.9940 0.9940 1.0348 1.0348 1.2815 1.2815 1.3065 1.3065 1.3905 1.3905 1.5136 1.5136 1.5797 1.5797 1.6056 1.6056 3.0818 3.0818 6.6096 6.6096 6.9835 6.9835 7.8298 7.8298 8.1269 8.1269 8.2857 8.2857 9.7762 9.7762 10.2369 10.2369 10.8807 10.8807 11.3700 11.3701 k = 0.0385 0.0666-0.0000 ( 3423 PWs) bands (ev): -32.3864 -32.3864 -13.6644 -13.6644 -13.3080 -13.3080 -13.2562 -13.2562 -3.3577 -3.3577 -2.0892 -2.0892 0.8700 0.8700 0.9120 0.9120 0.9956 0.9956 1.0328 1.0328 1.2821 1.2821 1.3060 1.3060 1.3874 1.3874 1.5124 1.5124 1.5840 1.5840 1.6053 1.6053 3.0611 3.0611 6.7147 6.7147 7.0052 7.0052 7.9518 7.9518 8.1747 8.1747 8.3050 8.3050 9.6868 9.6868 10.2114 10.2114 10.8380 10.8380 11.2912 11.2912 k = 0.0321 0.0555-0.0000 ( 3427 PWs) bands (ev): -32.3865 -32.3865 -13.6641 -13.6641 -13.3078 -13.3078 -13.2554 -13.2554 -3.3697 -3.3697 -2.0944 -2.0944 0.8692 0.8692 0.9109 0.9109 0.9971 0.9971 1.0310 1.0310 1.2827 1.2827 1.3057 1.3057 1.3846 1.3846 1.5115 1.5115 1.5877 1.5877 1.6052 1.6052 3.0434 3.0434 6.8106 6.8106 7.0233 7.0233 8.0651 8.0651 8.2146 8.2146 8.3236 8.3236 9.6047 9.6047 10.1833 10.1833 10.7926 10.7926 11.2223 11.2223 k = 0.0256 0.0444-0.0000 ( 3423 PWs) bands (ev): -32.3866 -32.3866 -13.6638 -13.6638 -13.3077 -13.3077 -13.2547 -13.2547 -3.3795 -3.3795 -2.0987 -2.0987 0.8686 0.8686 0.9100 0.9100 0.9986 0.9986 1.0293 1.0293 1.2832 1.2832 1.3054 1.3054 1.3822 1.3822 1.5107 1.5107 1.5907 1.5907 1.6053 1.6053 3.0289 3.0289 6.8947 6.8947 7.0380 7.0380 8.1656 8.1656 8.2465 8.2465 8.3419 8.3419 9.5322 9.5322 10.1532 10.1532 10.7476 10.7476 11.1684 11.1684 k = 0.0192 0.0333-0.0000 ( 3425 PWs) bands (ev): -32.3866 -32.3866 -13.6636 -13.6636 -13.3076 -13.3076 -13.2541 -13.2541 -3.3872 -3.3872 -2.1021 -2.1021 0.8681 0.8681 0.9093 0.9093 0.9999 0.9999 1.0279 1.0279 1.2836 1.2836 1.3053 1.3053 1.3803 1.3803 1.5100 1.5100 1.5930 1.5930 1.6055 1.6055 3.0175 3.0175 6.9640 6.9640 7.0498 7.0498 8.2421 8.2421 8.2774 8.2774 8.3597 8.3597 9.4721 9.4721 10.1232 10.1232 10.7075 10.7075 11.1287 11.1287 k = 0.0128 0.0222-0.0000 ( 3429 PWs) bands (ev): -32.3867 -32.3867 -13.6635 -13.6635 -13.3075 -13.3075 -13.2537 -13.2537 -3.3926 -3.3926 -2.1045 -2.1045 0.8677 0.8677 0.9088 0.9088 1.0009 1.0009 1.0268 1.0268 1.2840 1.2840 1.3052 1.3052 1.3788 1.3788 1.5095 1.5095 1.5944 1.5944 1.6057 1.6057 3.0094 3.0094 7.0149 7.0149 7.0593 7.0593 8.2708 8.2708 8.3270 8.3270 8.3759 8.3759 9.4268 9.4268 10.0967 10.0967 10.6764 10.6764 11.1013 11.1013 k = 0.0064 0.0111-0.0000 ( 3429 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3075 -13.3075 -13.2535 -13.2535 -3.3959 -3.3959 -2.1059 -2.1059 0.8675 0.8675 0.9085 0.9085 1.0016 1.0016 1.0261 1.0261 1.2842 1.2842 1.3051 1.3051 1.3779 1.3779 1.5093 1.5093 1.5953 1.5953 1.6060 1.6060 3.0044 3.0044 7.0431 7.0431 7.0687 7.0687 8.2800 8.2800 8.3618 8.3618 8.3908 8.3908 9.3987 9.3987 10.0783 10.0783 10.6569 10.6569 11.0850 11.0850 k = 0.0000 0.0000 0.0000 ( 3429 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3074 -13.3074 -13.2534 -13.2534 -3.3970 -3.3970 -2.1064 -2.1064 0.8674 0.8674 0.9084 0.9084 1.0019 1.0019 1.0258 1.0258 1.2842 1.2842 1.3051 1.3051 1.3776 1.3776 1.5092 1.5092 1.5956 1.5956 1.6061 1.6061 3.0028 3.0028 7.0504 7.0504 7.0741 7.0741 8.2826 8.2826 8.3713 8.3713 8.3988 8.3988 9.3891 9.3891 10.0716 10.0716 10.6503 10.6503 11.0795 11.0795 k = 0.0000 0.0000 0.0000 ( 3429 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3074 -13.3074 -13.2534 -13.2534 -3.3970 -3.3970 -2.1064 -2.1064 0.8674 0.8674 0.9084 0.9084 1.0019 1.0019 1.0258 1.0258 1.2842 1.2842 1.3051 1.3051 1.3776 1.3776 1.5092 1.5092 1.5956 1.5956 1.6061 1.6061 3.0028 3.0028 7.0504 7.0504 7.0741 7.0741 8.2826 8.2826 8.3713 8.3713 8.3988 8.3988 9.3891 9.3891 10.0716 10.0716 10.6503 10.6503 11.0795 11.0795 k = 0.0000 0.0000 0.0128 ( 3429 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3074 -13.3074 -13.2534 -13.2534 -3.3961 -3.3961 -2.1079 -2.1079 0.8674 0.8674 0.9084 0.9084 1.0016 1.0016 1.0258 1.0258 1.2841 1.2841 1.3039 1.3039 1.3777 1.3777 1.5094 1.5094 1.5955 1.5955 1.6058 1.6058 3.0078 3.0078 7.0515 7.0515 7.0752 7.0752 8.2693 8.2693 8.3679 8.3679 8.3963 8.3963 9.3892 9.3892 10.0860 10.0860 10.6509 10.6509 11.0814 11.0814 k = 0.0000 0.0000 0.0257 ( 3405 PWs) bands (ev): -32.3867 -32.3867 -13.6633 -13.6633 -13.3073 -13.3073 -13.2534 -13.2534 -3.3934 -3.3934 -2.1124 -2.1124 0.8673 0.8673 0.9085 0.9085 1.0010 1.0010 1.0260 1.0260 1.2837 1.2837 1.3006 1.3006 1.3778 1.3778 1.5101 1.5101 1.5956 1.5956 1.6050 1.6050 3.0228 3.0228 7.0547 7.0547 7.0785 7.0785 8.2296 8.2296 8.3589 8.3589 8.3888 8.3888 9.3894 9.3894 10.1277 10.1277 10.6529 10.6529 11.0869 11.0869 k = 0.0000 0.0000 0.0385 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3074 -13.3074 -13.2534 -13.2534 -3.3888 -3.3888 -2.1199 -2.1199 0.8671 0.8671 0.9086 0.9086 0.9997 0.9997 1.0261 1.0261 1.2822 1.2822 1.2957 1.2957 1.3779 1.3779 1.5109 1.5109 1.5955 1.5955 1.6037 1.6037 3.0474 3.0474 7.0601 7.0601 7.0839 7.0839 8.1662 8.1662 8.3452 8.3452 8.3764 8.3764 9.3900 9.3900 10.1924 10.1924 10.6567 10.6567 11.0955 11.0955 k = 0.0000 0.0000 0.0514 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3074 -13.3074 -13.2534 -13.2534 -3.3824 -3.3824 -2.1303 -2.1303 0.8669 0.8669 0.9088 0.9088 0.9980 0.9980 1.0264 1.0264 1.2781 1.2781 1.2916 1.2916 1.3781 1.3781 1.5121 1.5121 1.5953 1.5953 1.6019 1.6019 3.0812 3.0812 7.0676 7.0676 7.0915 7.0915 8.0834 8.0834 8.3274 8.3274 8.3594 8.3594 9.3911 9.3911 10.2740 10.2740 10.6639 10.6639 11.1067 11.1067 k = 0.0000 0.0000 0.0642 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3075 -13.3075 -13.2534 -13.2534 -3.3743 -3.3743 -2.1434 -2.1434 0.8666 0.8666 0.9090 0.9090 0.9959 0.9959 1.0267 1.0267 1.2701 1.2701 1.2896 1.2896 1.3784 1.3784 1.5135 1.5135 1.5950 1.5950 1.5998 1.5998 3.1235 3.1235 7.0772 7.0772 7.1013 7.1013 7.9857 7.9857 8.3056 8.3056 8.3380 8.3380 9.3927 9.3927 10.3647 10.3647 10.6775 10.6775 11.1197 11.1197 k = 0.0000 0.0000 0.0770 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3075 -13.3075 -13.2534 -13.2534 -3.3645 -3.3645 -2.1591 -2.1591 0.8662 0.8662 0.9092 0.9092 0.9933 0.9933 1.0270 1.0270 1.2596 1.2596 1.2891 1.2891 1.3787 1.3787 1.5150 1.5150 1.5948 1.5948 1.5976 1.5976 3.1738 3.1738 7.0889 7.0889 7.1132 7.1132 7.8771 7.8771 8.2799 8.2799 8.3125 8.3125 9.3949 9.3949 10.4527 10.4527 10.7057 10.7057 11.1335 11.1335 k = 0.0000 0.0000 0.0899 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3075 -13.3075 -13.2534 -13.2534 -3.3530 -3.3530 -2.1772 -2.1772 0.8658 0.8658 0.9095 0.9095 0.9903 0.9903 1.0274 1.0274 1.2478 1.2478 1.2891 1.2891 1.3790 1.3790 1.5165 1.5165 1.5945 1.5945 1.5953 1.5953 3.2311 3.2311 7.1027 7.1027 7.1272 7.1272 7.7608 7.7608 8.2508 8.2508 8.2834 8.2834 9.3975 9.3975 10.5205 10.5205 10.7628 10.7628 11.1470 11.1470 k = 0.0000 0.0000 0.1027 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3075 -13.3075 -13.2534 -13.2534 -3.3400 -3.3400 -2.1976 -2.1976 0.8654 0.8654 0.9098 0.9098 0.9870 0.9870 1.0278 1.0278 1.2355 1.2355 1.2893 1.2893 1.3794 1.3794 1.5181 1.5181 1.5929 1.5929 1.5941 1.5941 3.2948 3.2948 7.1186 7.1186 7.1432 7.1432 7.6393 7.6393 8.2185 8.2185 8.2510 8.2510 9.4006 9.4006 10.5590 10.5590 10.8554 10.8554 11.1592 11.1592 k = 0.0000 0.0000 0.1156 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6634 -13.6634 -13.3075 -13.3075 -13.2534 -13.2534 -3.3256 -3.3256 -2.2198 -2.2198 0.8650 0.8650 0.9102 0.9102 0.9832 0.9832 1.0282 1.0282 1.2231 1.2231 1.2896 1.2896 1.3798 1.3798 1.5195 1.5195 1.5906 1.5906 1.5938 1.5938 3.3640 3.3640 7.1365 7.1365 7.1614 7.1614 7.5144 7.5144 8.1834 8.1834 8.2158 8.2158 9.4041 9.4041 10.5777 10.5777 10.9722 10.9722 11.1692 11.1692 k = 0.0000 0.0000 0.1284 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6635 -13.6635 -13.3076 -13.3076 -13.2534 -13.2534 -3.3098 -3.3098 -2.2438 -2.2438 0.8645 0.8645 0.9105 0.9105 0.9792 0.9792 1.0285 1.0285 1.2110 1.2110 1.2900 1.2900 1.3803 1.3803 1.5209 1.5209 1.5884 1.5884 1.5934 1.5934 3.4380 3.4380 7.1564 7.1564 7.1816 7.1816 7.3878 7.3878 8.1458 8.1458 8.1781 8.1781 9.4079 9.4079 10.5870 10.5870 11.1010 11.1010 11.1765 11.1766 k = 0.0000 0.0000 0.1413 ( 3424 PWs) bands (ev): -32.3867 -32.3867 -13.6635 -13.6635 -13.3076 -13.3076 -13.2534 -13.2534 -3.2929 -3.2929 -2.2691 -2.2691 0.8640 0.8640 0.9108 0.9108 0.9748 0.9748 1.0289 1.0289 1.1995 1.1995 1.2904 1.2904 1.3807 1.3807 1.5222 1.5222 1.5862 1.5862 1.5930 1.5930 3.5157 3.5157 7.1782 7.1782 7.2037 7.2037 7.2609 7.2609 8.1063 8.1063 8.1383 8.1383 9.4118 9.4118 10.5918 10.5918 11.1802 11.1802 11.2080 11.2080 k = 0.0000 0.0000 0.1541 ( 3436 PWs) bands (ev): -32.3867 -32.3867 -13.6635 -13.6635 -13.3076 -13.3076 -13.2534 -13.2534 -3.2750 -3.2750 -2.2954 -2.2954 0.8635 0.8635 0.9111 0.9111 0.9703 0.9703 1.0292 1.0292 1.1887 1.1887 1.2908 1.2908 1.3811 1.3811 1.5234 1.5234 1.5842 1.5842 1.5926 1.5926 3.5964 3.5964 7.1342 7.1342 7.2025 7.2025 7.2278 7.2278 8.0650 8.0650 8.0967 8.0967 9.4159 9.4159 10.5943 10.5943 11.1817 11.1817 11.2077 11.2077 k = 0.0000 0.0000 0.1669 ( 3436 PWs) bands (ev): -32.3867 -32.3867 -13.6635 -13.6635 -13.3077 -13.3077 -13.2534 -13.2534 -3.2563 -3.2563 -2.3224 -2.3224 0.8630 0.8630 0.9115 0.9115 0.9656 0.9656 1.0296 1.0296 1.1788 1.1788 1.2913 1.2913 1.3815 1.3815 1.5246 1.5246 1.5824 1.5824 1.5921 1.5921 3.6790 3.6790 7.0101 7.0101 7.2280 7.2280 7.2538 7.2538 8.0224 8.0224 8.0539 8.0539 9.4201 9.4201 10.5954 10.5954 11.1806 11.1806 11.2051 11.2051 k = 0.0000 0.0000 0.1798 ( 3436 PWs) bands (ev): -32.3867 -32.3867 -13.6635 -13.6635 -13.3077 -13.3077 -13.2534 -13.2534 -3.2372 -3.2372 -2.3496 -2.3496 0.8625 0.8625 0.9117 0.9117 0.9610 0.9610 1.0298 1.0298 1.1699 1.1699 1.2918 1.2918 1.3819 1.3819 1.5256 1.5256 1.5808 1.5808 1.5918 1.5918 3.7625 3.7625 6.8889 6.8889 7.2555 7.2555 7.2817 7.2817 7.9789 7.9789 8.0100 8.0100 9.4242 9.4242 10.5957 10.5957 11.1775 11.1775 11.2007 11.2007 k = 0.0000 0.0000 0.1926 ( 3460 PWs) bands (ev): -32.3867 -32.3867 -13.6636 -13.6636 -13.3078 -13.3078 -13.2535 -13.2535 -3.2179 -3.2179 -2.3766 -2.3766 0.8620 0.8620 0.9120 0.9120 0.9564 0.9564 1.0301 1.0301 1.1620 1.1620 1.2921 1.2921 1.3822 1.3822 1.5264 1.5264 1.5792 1.5792 1.5914 1.5914 3.8457 3.8457 6.7720 6.7720 7.2847 7.2847 7.3113 7.3113 7.9346 7.9346 7.9653 7.9653 9.4281 9.4281 10.5954 10.5954 11.1729 11.1729 11.1951 11.1951 k = 0.0000 0.0000 0.2055 ( 3460 PWs) bands (ev): -32.3867 -32.3867 -13.6636 -13.6636 -13.3078 -13.3078 -13.2535 -13.2535 -3.1987 -3.1987 -2.4028 -2.4028 0.8616 0.8616 0.9122 0.9122 0.9521 0.9521 1.0303 1.0303 1.1552 1.1552 1.2926 1.2926 1.3826 1.3826 1.5273 1.5273 1.5778 1.5778 1.5910 1.5910 3.9271 3.9271 6.6609 6.6609 7.3157 7.3157 7.3426 7.3426 7.8899 7.8899 7.9203 7.9203 9.4319 9.4319 10.5949 10.5949 11.1676 11.1676 11.1889 11.1889 k = 0.0000 0.0000 0.2183 ( 3454 PWs) bands (ev): -32.3867 -32.3867 -13.6636 -13.6636 -13.3078 -13.3078 -13.2535 -13.2535 -3.1802 -3.1802 -2.4277 -2.4277 0.8613 0.8613 0.9125 0.9125 0.9481 0.9481 1.0307 1.0307 1.1494 1.1494 1.2930 1.2930 1.3831 1.3831 1.5280 1.5280 1.5767 1.5767 1.5907 1.5907 4.0051 4.0051 6.5573 6.5573 7.3482 7.3482 7.3756 7.3756 7.8451 7.8451 7.8750 7.8750 9.4353 9.4353 10.5942 10.5942 11.1621 11.1621 11.1826 11.1826 k = 0.0000 0.0000 0.2311 ( 3448 PWs) bands (ev): -32.3867 -32.3867 -13.6636 -13.6636 -13.3078 -13.3078 -13.2535 -13.2535 -3.1630 -3.1630 -2.4506 -2.4506 0.8610 0.8610 0.9127 0.9127 0.9446 0.9446 1.0309 1.0309 1.1446 1.1446 1.2933 1.2933 1.3834 1.3834 1.5287 1.5287 1.5757 1.5757 1.5904 1.5904 4.0776 4.0776 6.4631 6.4631 7.3822 7.3822 7.4101 7.4101 7.8005 7.8005 7.8299 7.8299 9.4384 9.4384 10.5934 10.5934 11.1566 11.1566 11.1766 11.1766 k = 0.0000 0.0000 0.2440 ( 3448 PWs) bands (ev): -32.3867 -32.3867 -13.6636 -13.6636 -13.3078 -13.3078 -13.2535 -13.2535 -3.1475 -3.1475 -2.4708 -2.4708 0.8607 0.8607 0.9129 0.9129 0.9416 0.9416 1.0311 1.0311 1.1408 1.1408 1.2936 1.2936 1.3837 1.3837 1.5292 1.5292 1.5748 1.5748 1.5902 1.5902 4.1424 4.1424 6.3806 6.3806 7.4175 7.4175 7.4460 7.4460 7.7563 7.7563 7.7852 7.7852 9.4410 9.4410 10.5926 10.5926 11.1517 11.1517 11.1713 11.1713 k = 0.0000 0.0000 0.2568 ( 3448 PWs) bands (ev): -32.3867 -32.3867 -13.6636 -13.6636 -13.3078 -13.3078 -13.2535 -13.2535 -3.1345 -3.1345 -2.4875 -2.4875 0.8605 0.8605 0.9131 0.9131 0.9391 0.9391 1.0313 1.0313 1.1378 1.1378 1.2938 1.2938 1.3839 1.3839 1.5296 1.5296 1.5742 1.5742 1.5900 1.5900 4.1969 4.1969 6.3123 6.3123 7.4538 7.4538 7.4830 7.4830 7.7130 7.7130 7.7412 7.7412 9.4431 9.4431 10.5919 10.5919 11.1476 11.1476 11.1669 11.1669 k = 0.0000 0.0000 0.2697 ( 3460 PWs) bands (ev): -32.3867 -32.3867 -13.6637 -13.6637 -13.3079 -13.3079 -13.2535 -13.2535 -3.1246 -3.1246 -2.5002 -2.5002 0.8603 0.8603 0.9132 0.9132 0.9373 0.9373 1.0313 1.0313 1.1357 1.1357 1.2940 1.2940 1.3840 1.3840 1.5299 1.5299 1.5736 1.5736 1.5898 1.5898 4.2384 4.2384 6.2610 6.2610 7.4903 7.4903 7.5206 7.5206 7.6714 7.6714 7.6985 7.6985 9.4446 9.4446 10.5914 10.5914 11.1445 11.1445 11.1635 11.1635 k = 0.0000 0.0000 0.2825 ( 3472 PWs) bands (ev): -32.3867 -32.3867 -13.6637 -13.6637 -13.3079 -13.3079 -13.2535 -13.2535 -3.1184 -3.1184 -2.5080 -2.5080 0.8602 0.8602 0.9132 0.9132 0.9361 0.9361 1.0314 1.0314 1.1344 1.1344 1.2940 1.2940 1.3841 1.3841 1.5301 1.5301 1.5733 1.5733 1.5897 1.5897 4.2644 4.2644 6.2290 6.2290 7.5246 7.5246 7.5568 7.5568 7.6340 7.6340 7.6592 7.6592 9.4456 9.4456 10.5911 10.5911 11.1426 11.1426 11.1615 11.1615 k = 0.0000 0.0000 0.2953 ( 3460 PWs) bands (ev): -32.3867 -32.3867 -13.6637 -13.6637 -13.3079 -13.3079 -13.2535 -13.2535 -3.1163 -3.1163 -2.5107 -2.5107 0.8602 0.8602 0.9133 0.9133 0.9358 0.9358 1.0314 1.0314 1.1340 1.1340 1.2942 1.2942 1.3842 1.3842 1.5301 1.5301 1.5733 1.5733 1.5897 1.5897 4.2733 4.2733 6.2182 6.2182 7.5435 7.5435 7.5783 7.5783 7.6142 7.6142 7.6367 7.6367 9.4459 9.4459 10.5910 10.5910 11.1420 11.1420 11.1608 11.1608 k = 0.0000 0.0000 0.2953 ( 3460 PWs) bands (ev): -32.3867 -32.3867 -13.6637 -13.6637 -13.3079 -13.3079 -13.2535 -13.2535 -3.1163 -3.1163 -2.5107 -2.5107 0.8602 0.8602 0.9133 0.9133 0.9358 0.9358 1.0314 1.0314 1.1340 1.1340 1.2942 1.2942 1.3842 1.3842 1.5301 1.5301 1.5733 1.5733 1.5897 1.5897 4.2733 4.2733 6.2182 6.2182 7.5435 7.5435 7.5783 7.5783 7.6142 7.6142 7.6367 7.6367 9.4459 9.4459 10.5910 10.5910 11.1420 11.1420 11.1608 11.1608 k = 0.0111 0.0064 0.2953 ( 3472 PWs) bands (ev): -32.3867 -32.3867 -13.6638 -13.6638 -13.3079 -13.3079 -13.2536 -13.2536 -3.1154 -3.1154 -2.5099 -2.5099 0.8603 0.8603 0.9131 0.9131 0.9358 0.9358 1.0315 1.0315 1.1341 1.1341 1.2942 1.2942 1.3841 1.3841 1.5301 1.5301 1.5732 1.5732 1.5895 1.5895 4.2737 4.2737 6.2185 6.2185 7.5295 7.5295 7.5621 7.5621 7.6185 7.6185 7.6381 7.6381 9.4589 9.4589 10.5937 10.5937 11.1467 11.1467 11.1654 11.1654 k = 0.0222 0.0128 0.2953 ( 3464 PWs) bands (ev): -32.3867 -32.3867 -13.6638 -13.6638 -13.3080 -13.3080 -13.2538 -13.2538 -3.1127 -3.1127 -2.5073 -2.5073 0.8606 0.8606 0.9130 0.9130 0.9361 0.9361 1.0319 1.0319 1.1348 1.1348 1.2945 1.2945 1.3843 1.3843 1.5300 1.5300 1.5731 1.5731 1.5889 1.5889 4.2749 4.2749 6.2192 6.2192 7.4849 7.4849 7.5333 7.5333 7.6140 7.6140 7.6440 7.6440 9.4965 9.4965 10.6018 10.6018 11.1605 11.1605 11.1793 11.1793 k = 0.0333 0.0192 0.2953 ( 3456 PWs) bands (ev): -32.3867 -32.3867 -13.6639 -13.6639 -13.3080 -13.3080 -13.2542 -13.2542 -3.1082 -3.1082 -2.5029 -2.5029 0.8611 0.8611 0.9127 0.9127 0.9365 0.9365 1.0325 1.0325 1.1359 1.1359 1.2949 1.2949 1.3846 1.3846 1.5299 1.5299 1.5729 1.5729 1.5881 1.5881 4.2767 4.2767 6.2203 6.2203 7.4140 7.4140 7.5021 7.5021 7.5922 7.5922 7.6528 7.6528 9.5548 9.5548 10.6154 10.6154 11.1825 11.1825 11.2029 11.2029 k = 0.0444 0.0257 0.2953 ( 3450 PWs) bands (ev): -32.3866 -32.3866 -13.6641 -13.6641 -13.3081 -13.3081 -13.2547 -13.2547 -3.1020 -3.1020 -2.4969 -2.4969 0.8617 0.8617 0.9123 0.9123 0.9371 0.9371 1.0333 1.0333 1.1373 1.1373 1.2955 1.2955 1.3849 1.3849 1.5297 1.5297 1.5725 1.5725 1.5870 1.5870 4.2792 4.2792 6.2213 6.2213 7.3250 7.3250 7.4673 7.4673 7.5559 7.5559 7.6605 7.6605 9.6283 9.6283 10.6346 10.6346 11.2115 11.2115 11.2362 11.2362 k = 0.0556 0.0321 0.2953 ( 3450 PWs) bands (ev): -32.3865 -32.3865 -13.6644 -13.6644 -13.3083 -13.3083 -13.2554 -13.2554 -3.0940 -3.0940 -2.4892 -2.4892 0.8625 0.8625 0.9118 0.9118 0.9379 0.9379 1.0343 1.0343 1.1392 1.1392 1.2963 1.2963 1.3854 1.3854 1.5294 1.5294 1.5718 1.5718 1.5858 1.5858 4.2824 4.2824 6.2215 6.2215 7.2233 7.2233 7.4288 7.4288 7.5075 7.5075 7.6659 7.6659 9.7113 9.7113 10.6600 10.6600 11.2471 11.2471 11.2784 11.2784 k = 0.0667 0.0385 0.2953 ( 3446 PWs) bands (ev): -32.3864 -32.3864 -13.6647 -13.6647 -13.3085 -13.3085 -13.2563 -13.2563 -3.0842 -3.0842 -2.4798 -2.4798 0.8634 0.8634 0.9112 0.9112 0.9389 0.9389 1.0356 1.0356 1.1415 1.1415 1.2972 1.2972 1.3859 1.3859 1.5291 1.5291 1.5706 1.5706 1.5847 1.5847 4.2861 4.2861 6.2200 6.2200 7.1138 7.1138 7.3868 7.3868 7.4488 7.4488 7.6685 7.6685 9.7980 9.7980 10.6925 10.6925 11.2888 11.2888 11.3276 11.3276 k = 0.0778 0.0449 0.2953 ( 3446 PWs) bands (ev): -32.3863 -32.3863 -13.6650 -13.6650 -13.3087 -13.3087 -13.2572 -13.2572 -3.0727 -3.0727 -2.4688 -2.4688 0.8645 0.8645 0.9107 0.9107 0.9400 0.9400 1.0369 1.0369 1.1442 1.1442 1.2983 1.2983 1.3866 1.3866 1.5287 1.5287 1.5689 1.5689 1.5838 1.5838 4.2902 4.2902 6.2150 6.2150 7.0009 7.0009 7.3414 7.3414 7.3816 7.3816 7.6686 7.6686 9.8827 9.8827 10.7336 10.7336 11.3363 11.3363 11.3809 11.3809 k = 0.0889 0.0513 0.2953 ( 3450 PWs) bands (ev): -32.3862 -32.3862 -13.6655 -13.6655 -13.3090 -13.3090 -13.2584 -13.2584 -3.0596 -3.0596 -2.4563 -2.4563 0.8656 0.8656 0.9101 0.9101 0.9413 0.9413 1.0385 1.0385 1.1473 1.1473 1.2995 1.2995 1.3874 1.3874 1.5281 1.5281 1.5667 1.5667 1.5832 1.5832 4.2945 4.2945 6.2036 6.2036 6.8897 6.8897 7.2920 7.2920 7.3084 7.3084 7.6662 7.6662 9.9608 9.9608 10.7847 10.7847 11.3890 11.3890 11.4346 11.4346 k = 0.1000 0.0577 0.2953 ( 3446 PWs) bands (ev): -32.3861 -32.3861 -13.6659 -13.6659 -13.3093 -13.3093 -13.2596 -13.2596 -3.0447 -3.0447 -2.4422 -2.4422 0.8668 0.8668 0.9097 0.9097 0.9428 0.9428 1.0401 1.0401 1.1508 1.1508 1.3009 1.3009 1.3883 1.3883 1.5274 1.5274 1.5639 1.5639 1.5829 1.5829 4.2990 4.2990 6.1812 6.1812 6.7865 6.7865 7.2243 7.2243 7.2452 7.2452 7.6615 7.6615 10.0285 10.0285 10.8463 10.8463 11.4464 11.4464 11.4829 11.4829 k = 0.1111 0.0642 0.2953 ( 3446 PWs) bands (ev): -32.3859 -32.3859 -13.6664 -13.6664 -13.3096 -13.3096 -13.2609 -13.2609 -3.0282 -3.0282 -2.4266 -2.4266 0.8681 0.8681 0.9093 0.9093 0.9445 0.9445 1.0419 1.0419 1.1546 1.1546 1.3024 1.3024 1.3895 1.3895 1.5265 1.5265 1.5608 1.5608 1.5829 1.5829 4.3035 4.3035 6.1415 6.1415 6.6990 6.6990 7.1404 7.1404 7.1916 7.1916 7.6546 7.6546 10.0836 10.0836 10.9171 10.9171 11.5075 11.5075 11.5167 11.5167 k = 0.1222 0.0706 0.2953 ( 3442 PWs) bands (ev): -32.3857 -32.3857 -13.6670 -13.6670 -13.3100 -13.3100 -13.2623 -13.2623 -3.0101 -3.0101 -2.4095 -2.4095 0.8694 0.8694 0.9092 0.9092 0.9463 0.9463 1.0439 1.0439 1.1588 1.1588 1.3041 1.3041 1.3908 1.3908 1.5254 1.5254 1.5576 1.5576 1.5830 1.5830 4.3076 4.3076 6.0787 6.0787 6.6339 6.6339 7.0523 7.0523 7.1368 7.1368 7.6457 7.6457 10.1258 10.1258 10.9928 10.9928 11.5213 11.5213 11.5729 11.5729 k = 0.1333 0.0770 0.2953 ( 3444 PWs) bands (ev): -32.3856 -32.3856 -13.6677 -13.6677 -13.3104 -13.3104 -13.2638 -13.2638 -2.9904 -2.9904 -2.3911 -2.3911 0.8706 0.8706 0.9093 0.9093 0.9483 0.9483 1.0459 1.0459 1.1632 1.1632 1.3059 1.3059 1.3922 1.3922 1.5238 1.5238 1.5544 1.5544 1.5834 1.5834 4.3113 4.3113 5.9917 5.9917 6.5932 6.5932 6.9616 6.9616 7.0807 7.0807 7.6350 7.6350 10.1564 10.1564 11.0642 11.0642 11.4969 11.4969 11.6403 11.6403 k = 0.1444 0.0834 0.2953 ( 3436 PWs) bands (ev): -32.3854 -32.3854 -13.6683 -13.6683 -13.3109 -13.3109 -13.2654 -13.2654 -2.9692 -2.9692 -2.3714 -2.3714 0.8718 0.8718 0.9098 0.9098 0.9505 0.9505 1.0480 1.0480 1.1681 1.1681 1.3078 1.3078 1.3938 1.3938 1.5218 1.5218 1.5515 1.5515 1.5838 1.5838 4.3141 4.3141 5.8847 5.8847 6.5731 6.5731 6.8695 6.8695 7.0234 7.0234 7.6227 7.6227 10.1769 10.1769 11.1143 11.1143 11.4699 11.4699 11.7098 11.7098 k = 0.1556 0.0898 0.2953 ( 3436 PWs) bands (ev): -32.3852 -32.3852 -13.6690 -13.6690 -13.3114 -13.3114 -13.2670 -13.2670 -2.9466 -2.9466 -2.3505 -2.3505 0.8728 0.8728 0.9107 0.9107 0.9528 0.9528 1.0503 1.0503 1.1731 1.1731 1.3098 1.3098 1.3955 1.3955 1.5191 1.5191 1.5491 1.5491 1.5844 1.5844 4.3158 4.3158 5.7644 5.7644 6.5676 6.5676 6.7769 6.7769 6.9653 6.9653 7.6090 7.6090 10.1891 10.1891 11.1211 11.1211 11.4724 11.4724 11.7803 11.7805 k = 0.1667 0.0962 0.2953 ( 3430 PWs) bands (ev): -32.3850 -32.3850 -13.6698 -13.6698 -13.3120 -13.3120 -13.2686 -13.2686 -2.9225 -2.9225 -2.3285 -2.3285 0.8737 0.8737 0.9121 0.9121 0.9553 0.9553 1.0526 1.0526 1.1784 1.1784 1.3120 1.3120 1.3974 1.3974 1.5157 1.5157 1.5475 1.5475 1.5851 1.5851 4.3160 4.3160 5.6360 5.6360 6.5715 6.5715 6.6849 6.6849 6.9067 6.9067 7.5939 7.5939 10.1946 10.1946 11.0844 11.0844 11.5051 11.5051 11.8177 11.8177 k = 0.1778 0.1026 0.2953 ( 3430 PWs) bands (ev): -32.3848 -32.3848 -13.6706 -13.6706 -13.3126 -13.3126 -13.2703 -13.2703 -2.8971 -2.8971 -2.3054 -2.3054 0.8745 0.8745 0.9139 0.9139 0.9579 0.9579 1.0551 1.0551 1.1839 1.1839 1.3142 1.3142 1.3993 1.3993 1.5118 1.5118 1.5465 1.5465 1.5860 1.5860 4.3142 4.3142 5.5030 5.5030 6.5743 6.5743 6.6016 6.6016 6.8477 6.8477 7.5777 7.5777 10.1946 10.1946 11.0248 11.0248 11.5427 11.5427 11.8430 11.8430 k = 0.1889 0.1091 0.2953 ( 3422 PWs) bands (ev): -32.3845 -32.3845 -13.6715 -13.6715 -13.3133 -13.3133 -13.2719 -13.2719 -2.8704 -2.8704 -2.2814 -2.2814 0.8752 0.8752 0.9163 0.9163 0.9607 0.9607 1.0576 1.0576 1.1896 1.1896 1.3165 1.3165 1.4012 1.4012 1.5073 1.5073 1.5463 1.5463 1.5869 1.5869 4.3099 4.3099 5.3678 5.3678 6.4999 6.4999 6.6019 6.6019 6.7888 6.7888 7.5605 7.5605 10.1898 10.1898 10.9573 10.9573 11.5666 11.5666 11.8707 11.8707 k = 0.2000 0.1155 0.2953 ( 3426 PWs) bands (ev): -32.3843 -32.3843 -13.6724 -13.6724 -13.3141 -13.3141 -13.2736 -13.2736 -2.8425 -2.8425 -2.2566 -2.2566 0.8757 0.8757 0.9191 0.9191 0.9636 0.9636 1.0602 1.0602 1.1954 1.1954 1.3189 1.3189 1.4031 1.4031 1.5026 1.5026 1.5467 1.5467 1.5880 1.5880 4.3025 4.3025 5.2322 5.2322 6.4133 6.4133 6.6201 6.6201 6.7301 6.7301 7.5425 7.5425 10.1809 10.1809 10.8891 10.8891 11.5729 11.5729 11.8844 11.8844 k = 0.2111 0.1219 0.2953 ( 3430 PWs) bands (ev): -32.3841 -32.3841 -13.6734 -13.6734 -13.3149 -13.3149 -13.2752 -13.2752 -2.8134 -2.8134 -2.2310 -2.2310 0.8763 0.8763 0.9223 0.9223 0.9666 0.9666 1.0629 1.0629 1.2014 1.2014 1.3213 1.3213 1.4048 1.4048 1.4977 1.4977 1.5477 1.5477 1.5892 1.5892 4.2915 4.2915 5.0972 5.0972 6.3292 6.3292 6.6411 6.6411 6.6721 6.6721 7.5238 7.5238 10.1683 10.1683 10.8234 10.8234 11.5652 11.5652 11.8640 11.8640 k = 0.2222 0.1283 0.2953 ( 3430 PWs) bands (ev): -32.3838 -32.3838 -13.6744 -13.6744 -13.3159 -13.3159 -13.2768 -13.2768 -2.7834 -2.7834 -2.2049 -2.2049 0.8769 0.8769 0.9261 0.9261 0.9698 0.9698 1.0656 1.0656 1.2074 1.2074 1.3238 1.3238 1.4063 1.4063 1.4929 1.4929 1.5493 1.5493 1.5907 1.5907 4.2759 4.2759 4.9640 4.9640 6.2489 6.2489 6.6136 6.6136 6.6654 6.6654 7.5046 7.5046 10.1522 10.1522 10.7623 10.7623 11.5481 11.5481 11.8089 11.8089 k = 0.2333 0.1347 0.2953 ( 3422 PWs) bands (ev): -32.3836 -32.3836 -13.6754 -13.6754 -13.3168 -13.3168 -13.2783 -13.2783 -2.7524 -2.7524 -2.1782 -2.1782 0.8775 0.8775 0.9302 0.9302 0.9731 0.9731 1.0685 1.0685 1.2136 1.2136 1.3264 1.3264 1.4073 1.4073 1.4883 1.4883 1.5515 1.5515 1.5926 1.5926 4.2547 4.2547 4.8336 4.8336 6.1730 6.1730 6.5570 6.5570 6.6901 6.6901 7.4849 7.4849 10.1328 10.1328 10.7066 10.7066 11.5246 11.5246 11.7327 11.7327 k = 0.2444 0.1411 0.2953 ( 3426 PWs) bands (ev): -32.3834 -32.3834 -13.6764 -13.6764 -13.3179 -13.3179 -13.2797 -13.2797 -2.7206 -2.7206 -2.1512 -2.1512 0.8783 0.8783 0.9347 0.9347 0.9765 0.9765 1.0714 1.0714 1.2198 1.2198 1.3290 1.3290 1.4078 1.4078 1.4839 1.4839 1.5542 1.5542 1.5948 1.5948 4.2269 4.2269 4.7074 4.7074 6.1022 6.1022 6.5013 6.5013 6.7161 6.7161 7.4650 7.4650 10.1103 10.1103 10.6572 10.6572 11.4961 11.4961 11.6470 11.6470 k = 0.2556 0.1475 0.2953 ( 3420 PWs) bands (ev): -32.3831 -32.3831 -13.6775 -13.6775 -13.3190 -13.3190 -13.2810 -13.2810 -2.6881 -2.6881 -2.1240 -2.1240 0.8792 0.8792 0.9395 0.9395 0.9802 0.9802 1.0745 1.0745 1.2261 1.2261 1.3316 1.3316 1.4078 1.4078 1.4801 1.4801 1.5574 1.5574 1.5977 1.5977 4.1906 4.1906 4.5870 4.5870 6.0371 6.0371 6.4467 6.4467 6.7430 6.7430 7.4450 7.4450 10.0850 10.0850 10.6143 10.6143 11.4617 11.4617 11.5597 11.5597 k = 0.2667 0.1540 0.2953 ( 3420 PWs) bands (ev): -32.3829 -32.3829 -13.6785 -13.6785 -13.3201 -13.3201 -13.2823 -13.2823 -2.6550 -2.6550 -2.0967 -2.0967 0.8804 0.8804 0.9445 0.9445 0.9840 0.9840 1.0776 1.0776 1.2324 1.2324 1.3342 1.3342 1.4070 1.4070 1.4767 1.4767 1.5608 1.5608 1.6013 1.6013 4.1438 4.1438 4.4747 4.4747 5.9779 5.9779 6.3935 6.3935 6.7704 6.7704 7.4249 7.4249 10.0575 10.0575 10.5779 10.5779 11.4131 11.4131 11.4831 11.4831 k = 0.2778 0.1604 0.2953 ( 3420 PWs) bands (ev): -32.3826 -32.3826 -13.6796 -13.6796 -13.3213 -13.3213 -13.2835 -13.2835 -2.6215 -2.6215 -2.0694 -2.0694 0.8818 0.8818 0.9496 0.9496 0.9880 0.9880 1.0808 1.0808 1.2387 1.2387 1.3368 1.3368 1.4055 1.4055 1.4738 1.4738 1.5643 1.5643 1.6058 1.6058 4.0839 4.0839 4.3731 4.3731 5.9251 5.9251 6.3418 6.3418 6.7982 6.7982 7.4050 7.4050 10.0281 10.0281 10.5479 10.5479 11.3380 11.3380 11.4318 11.4318 k = 0.2889 0.1668 0.2953 ( 3424 PWs) bands (ev): -32.3824 -32.3824 -13.6807 -13.6807 -13.3226 -13.3226 -13.2846 -13.2846 -2.5877 -2.5877 -2.0424 -2.0424 0.8835 0.8835 0.9548 0.9548 0.9923 0.9923 1.0841 1.0841 1.2450 1.2450 1.3393 1.3393 1.4034 1.4034 1.4714 1.4714 1.5678 1.5678 1.6114 1.6114 4.0097 4.0097 4.2838 4.2838 5.8786 5.8786 6.2918 6.2918 6.8262 6.8262 7.3853 7.3853 9.9975 9.9975 10.5237 10.5237 11.2498 11.2498 11.3941 11.3941 k = 0.3000 0.1732 0.2953 ( 3424 PWs) bands (ev): -32.3822 -32.3822 -13.6818 -13.6818 -13.3239 -13.3239 -13.2855 -13.2855 -2.5537 -2.5537 -2.0157 -2.0157 0.8854 0.8854 0.9598 0.9598 0.9970 0.9970 1.0877 1.0877 1.2513 1.2513 1.3418 1.3418 1.4008 1.4008 1.4694 1.4694 1.5710 1.5710 1.6183 1.6183 3.9230 3.9230 4.2056 4.2056 5.8384 5.8384 6.2435 6.2435 6.8541 6.8541 7.3659 7.3659 9.9664 9.9664 10.5048 10.5048 11.1597 11.1597 11.3601 11.3601 k = 0.3111 0.1796 0.2953 ( 3420 PWs) bands (ev): -32.3819 -32.3819 -13.6829 -13.6829 -13.3252 -13.3252 -13.2864 -13.2864 -2.5198 -2.5198 -1.9896 -1.9896 0.8877 0.8877 0.9646 0.9646 1.0020 1.0020 1.0915 1.0915 1.2575 1.2575 1.3443 1.3443 1.3979 1.3979 1.4678 1.4678 1.5741 1.5741 1.6264 1.6264 3.8283 3.8283 4.1348 4.1348 5.8042 5.8042 6.1972 6.1972 6.8820 6.8820 7.3470 7.3470 9.9351 9.9351 10.4907 10.4907 11.0711 11.0711 11.3275 11.3275 k = 0.3222 0.1860 0.2953 ( 3420 PWs) bands (ev): -32.3817 -32.3817 -13.6840 -13.6840 -13.3265 -13.3265 -13.2872 -13.2872 -2.4861 -2.4861 -1.9641 -1.9641 0.8902 0.8902 0.9691 0.9691 1.0075 1.0075 1.0956 1.0956 1.2637 1.2637 1.3468 1.3468 1.3948 1.3948 1.4664 1.4664 1.5769 1.5769 1.6355 1.6355 3.7299 3.7299 4.0676 4.0676 5.7756 5.7756 6.1529 6.1529 6.9095 6.9095 7.3286 7.3286 9.9043 9.9043 10.4807 10.4807 10.9855 10.9855 11.2956 11.2956 k = 0.3333 0.1925 0.2953 ( 3424 PWs) bands (ev): -32.3815 -32.3815 -13.6850 -13.6850 -13.3278 -13.3278 -13.2880 -13.2880 -2.4527 -2.4527 -1.9395 -1.9395 0.8930 0.8930 0.9730 0.9730 1.0133 1.0133 1.1001 1.1001 1.2696 1.2696 1.3490 1.3490 1.3918 1.3918 1.4652 1.4652 1.5795 1.5795 1.6456 1.6456 3.6311 3.6311 4.0020 4.0020 5.7522 5.7522 6.1107 6.1107 6.9366 6.9366 7.3109 7.3109 9.8741 9.8741 10.4740 10.4740 10.9041 10.9041 11.2643 11.2643 k = 0.3444 0.1989 0.2953 ( 3424 PWs) bands (ev): -32.3813 -32.3813 -13.6861 -13.6861 -13.3291 -13.3291 -13.2886 -13.2886 -2.4200 -2.4200 -1.9158 -1.9158 0.8960 0.8960 0.9763 0.9763 1.0194 1.0194 1.1051 1.1051 1.2753 1.2753 1.3511 1.3511 1.3892 1.3892 1.4643 1.4643 1.5820 1.5820 1.6562 1.6562 3.5342 3.5342 3.9367 3.9367 5.7334 5.7334 6.0708 6.0708 6.9630 6.9630 7.2939 7.2939 9.8449 9.8449 10.4699 10.4699 10.8281 10.8281 11.2335 11.2335 k = 0.3556 0.2053 0.2953 ( 3430 PWs) bands (ev): -32.3811 -32.3811 -13.6871 -13.6871 -13.3304 -13.3304 -13.2892 -13.2892 -2.3881 -2.3881 -1.8931 -1.8931 0.8993 0.8993 0.9791 0.9791 1.0255 1.0255 1.1107 1.1107 1.2807 1.2807 1.3528 1.3528 1.3873 1.3873 1.4635 1.4635 1.5845 1.5845 1.6672 1.6672 3.4405 3.4405 3.8715 3.8715 5.7187 5.7187 6.0332 6.0332 6.9888 6.9888 7.2777 7.2777 9.8167 9.8167 10.4667 10.4667 10.7591 10.7591 11.2032 11.2032 k = 0.3667 0.2117 0.2953 ( 3430 PWs) bands (ev): -32.3809 -32.3809 -13.6880 -13.6880 -13.3316 -13.3316 -13.2897 -13.2897 -2.3572 -2.3572 -1.8718 -1.8718 0.9029 0.9029 0.9814 0.9814 1.0315 1.0315 1.1171 1.1171 1.2856 1.2856 1.3538 1.3538 1.3864 1.3864 1.4631 1.4631 1.5871 1.5871 1.6782 1.6782 3.3512 3.3512 3.8066 3.8066 5.7073 5.7073 5.9980 5.9980 7.0136 7.0136 7.2624 7.2624 9.7896 9.7896 10.4624 10.4624 10.6996 10.6996 11.1733 11.1733 k = 0.3778 0.2181 0.2953 ( 3430 PWs) bands (ev): -32.3807 -32.3807 -13.6889 -13.6889 -13.3328 -13.3328 -13.2901 -13.2901 -2.3275 -2.3275 -1.8517 -1.8517 0.9066 0.9066 0.9831 0.9831 1.0372 1.0372 1.1242 1.1242 1.2900 1.2900 1.3539 1.3539 1.3868 1.3868 1.4630 1.4630 1.5898 1.5898 1.6888 1.6888 3.2670 3.2670 3.7424 3.7424 5.6988 5.6988 5.9653 5.9653 7.0373 7.0373 7.2482 7.2482 9.7636 9.7636 10.4530 10.4530 10.6536 10.6536 11.1437 11.1437 k = 0.3889 0.2245 0.2953 ( 3426 PWs) bands (ev): -32.3806 -32.3806 -13.6897 -13.6897 -13.3338 -13.3338 -13.2905 -13.2905 -2.2993 -2.2993 -1.8332 -1.8332 0.9105 0.9105 0.9844 0.9844 1.0424 1.0424 1.1321 1.1321 1.2938 1.2938 1.3531 1.3531 1.3887 1.3887 1.4633 1.4633 1.5927 1.5927 1.6986 1.6986 3.1888 3.1888 3.6794 3.6794 5.6927 5.6927 5.9352 5.9352 7.0598 7.0598 7.2350 7.2350 9.7388 9.7388 10.4343 10.4343 10.6254 10.6254 11.1145 11.1145 k = 0.4000 0.2309 0.2953 ( 3426 PWs) bands (ev): -32.3804 -32.3804 -13.6905 -13.6905 -13.3349 -13.3349 -13.2908 -13.2908 -2.2729 -2.2729 -1.8161 -1.8161 0.9145 0.9145 0.9851 0.9851 1.0471 1.0471 1.1407 1.1407 1.2970 1.2970 1.3514 1.3514 1.3918 1.3918 1.4641 1.4641 1.5960 1.5960 1.7071 1.7071 3.1171 3.1171 3.6185 3.6185 5.6885 5.6885 5.9077 5.9077 7.0809 7.0809 7.2230 7.2230 9.7152 9.7152 10.4061 10.4061 10.6153 10.6153 11.0856 11.0856 k = 0.4111 0.2374 0.2953 ( 3422 PWs) bands (ev): -32.3803 -32.3803 -13.6912 -13.6912 -13.3358 -13.3358 -13.2911 -13.2911 -2.2483 -2.2483 -1.8008 -1.8008 0.9186 0.9186 0.9855 0.9855 1.0510 1.0510 1.1497 1.1497 1.2995 1.2995 1.3491 1.3491 1.3957 1.3957 1.4657 1.4657 1.5998 1.5998 1.7140 1.7140 3.0525 3.0525 3.5603 3.5603 5.6857 5.6857 5.8829 5.8829 7.1003 7.1003 7.2122 7.2122 9.6930 9.6930 10.3727 10.3727 10.6187 10.6187 11.0569 11.0569 k = 0.4222 0.2438 0.2953 ( 3422 PWs) bands (ev): -32.3802 -32.3802 -13.6919 -13.6919 -13.3366 -13.3366 -13.2913 -13.2913 -2.2260 -2.2260 -1.7871 -1.7871 0.9225 0.9225 0.9854 0.9854 1.0544 1.0544 1.1589 1.1589 1.3015 1.3015 1.3465 1.3465 1.3999 1.3999 1.4680 1.4680 1.6041 1.6041 1.7187 1.7187 2.9956 2.9956 3.5056 3.5056 5.6841 5.6841 5.8610 5.8610 7.1178 7.1178 7.2029 7.2029 9.6723 9.6723 10.3389 10.3389 10.6308 10.6308 11.0284 11.0284 k = 0.4333 0.2502 0.2953 ( 3426 PWs) bands (ev): -32.3801 -32.3801 -13.6925 -13.6925 -13.3374 -13.3374 -13.2915 -13.2915 -2.2061 -2.2061 -1.7752 -1.7752 0.9264 0.9264 0.9850 0.9850 1.0572 1.0572 1.1680 1.1680 1.3029 1.3029 1.3437 1.3437 1.4039 1.4039 1.4712 1.4712 1.6091 1.6091 1.7210 1.7210 2.9467 2.9467 3.4553 3.4553 5.6832 5.6832 5.8418 5.8418 7.1330 7.1330 7.1951 7.1951 9.6534 9.6534 10.3076 10.3076 10.6482 10.6482 11.0001 11.0001 k = 0.4444 0.2566 0.2953 ( 3422 PWs) bands (ev): -32.3800 -32.3800 -13.6930 -13.6930 -13.3380 -13.3380 -13.2917 -13.2917 -2.1889 -2.1889 -1.7651 -1.7651 0.9300 0.9300 0.9844 0.9844 1.0595 1.0595 1.1767 1.1767 1.3040 1.3040 1.3409 1.3409 1.4075 1.4075 1.4750 1.4750 1.6149 1.6149 1.7208 1.7208 2.9059 2.9059 3.4104 3.4104 5.6829 5.6829 5.8255 5.8255 7.1454 7.1454 7.1894 7.1894 9.6365 9.6365 10.2802 10.2802 10.6690 10.6690 10.9720 10.9720 k = 0.4556 0.2630 0.2953 ( 3424 PWs) bands (ev): -32.3799 -32.3799 -13.6934 -13.6934 -13.3385 -13.3385 -13.2918 -13.2918 -2.1744 -2.1744 -1.7568 -1.7568 0.9333 0.9333 0.9836 0.9836 1.0613 1.0613 1.1845 1.1845 1.3047 1.3047 1.3383 1.3383 1.4103 1.4103 1.4793 1.4793 1.6216 1.6216 1.7181 1.7181 2.8733 2.8733 3.3717 3.3717 5.6829 5.6829 5.8121 5.8121 7.1542 7.1542 7.1863 7.1863 9.6221 9.6221 10.2576 10.2576 10.6918 10.6918 10.9444 10.9444 k = 0.4667 0.2694 0.2953 ( 3428 PWs) bands (ev): -32.3798 -32.3798 -13.6937 -13.6937 -13.3390 -13.3390 -13.2919 -13.2919 -2.1630 -2.1630 -1.7503 -1.7503 0.9361 0.9361 0.9828 0.9828 1.0626 1.0626 1.1910 1.1910 1.3051 1.3051 1.3359 1.3359 1.4124 1.4124 1.4833 1.4833 1.6289 1.6289 1.7133 1.7133 2.8487 2.8487 3.3403 3.3403 5.6831 5.6831 5.8017 5.8017 7.1586 7.1586 7.1865 7.1865 9.6104 9.6104 10.2398 10.2398 10.7154 10.7154 10.9177 10.9177 k = 0.4778 0.2758 0.2953 ( 3428 PWs) bands (ev): -32.3798 -32.3798 -13.6939 -13.6939 -13.3393 -13.3393 -13.2920 -13.2920 -2.1548 -2.1548 -1.7457 -1.7457 0.9382 0.9382 0.9820 0.9820 1.0636 1.0636 1.1961 1.1961 1.3054 1.3054 1.3341 1.3341 1.4138 1.4138 1.4867 1.4867 1.6362 1.6362 1.7075 1.7075 2.8315 2.8315 3.3171 3.3171 5.6833 5.6833 5.7942 5.7942 7.1597 7.1597 7.1888 7.1888 9.6018 9.6018 10.2272 10.2272 10.7382 10.7382 10.8931 10.8931 k = 0.4889 0.2823 0.2953 ( 3440 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1498 -2.1498 -1.7429 -1.7429 0.9395 0.9395 0.9815 0.9815 1.0641 1.0641 1.1992 1.1992 1.3055 1.3055 1.3329 1.3329 1.4145 1.4145 1.4889 1.4889 1.6420 1.6420 1.7023 1.7023 2.8214 2.8214 3.3028 3.3028 5.6835 5.6835 5.7897 5.7897 7.1595 7.1595 7.1910 7.1910 9.5965 9.5965 10.2196 10.2196 10.7567 10.7567 10.8736 10.8736 k = 0.5000 0.2887 0.2953 ( 3440 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1481 -2.1481 -1.7420 -1.7420 0.9400 0.9400 0.9813 0.9813 1.0643 1.0643 1.2003 1.2003 1.3055 1.3055 1.3325 1.3325 1.4148 1.4148 1.4897 1.4897 1.6444 1.6444 1.7001 1.7001 2.8181 2.8181 3.2980 3.2980 5.6835 5.6835 5.7882 5.7882 7.1594 7.1594 7.1918 7.1918 9.5947 9.5947 10.2171 10.2171 10.7646 10.7646 10.8655 10.8655 k = 0.5000 0.2887 0.2953 ( 3440 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1481 -2.1481 -1.7420 -1.7420 0.9400 0.9400 0.9813 0.9813 1.0643 1.0643 1.2003 1.2003 1.3055 1.3055 1.3325 1.3325 1.4148 1.4148 1.4897 1.4897 1.6444 1.6444 1.7001 1.7001 2.8181 2.8181 3.2980 3.2980 5.6835 5.6835 5.7882 5.7882 7.1594 7.1594 7.1918 7.1918 9.5947 9.5947 10.2171 10.2171 10.7646 10.7646 10.8655 10.8655 k = 0.4936 0.2998 0.2953 ( 3432 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1474 -2.1474 -1.7420 -1.7420 0.9403 0.9403 0.9814 0.9814 1.0641 1.0641 1.2002 1.2002 1.3053 1.3053 1.3328 1.3328 1.4148 1.4148 1.4901 1.4901 1.6442 1.6442 1.7006 1.7006 2.8190 2.8190 3.2983 3.2983 5.6844 5.6844 5.7819 5.7819 7.1529 7.1529 7.1889 7.1889 9.5995 9.5995 10.2259 10.2259 10.7720 10.7720 10.8637 10.8637 k = 0.4872 0.3109 0.2953 ( 3440 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3394 -13.3394 -13.2924 -13.2924 -2.1455 -2.1455 -1.7421 -1.7421 0.9411 0.9411 0.9815 0.9815 1.0637 1.0637 1.1998 1.1998 1.3048 1.3048 1.3338 1.3338 1.4147 1.4147 1.4913 1.4913 1.6434 1.6434 1.7017 1.7017 2.8215 2.8215 3.2993 3.2993 5.6872 5.6872 5.7631 5.7631 7.1317 7.1317 7.1821 7.1821 9.6133 9.6133 10.2521 10.2521 10.7941 10.7941 10.8584 10.8584 k = 0.4808 0.3220 0.2953 ( 3440 PWs) bands (ev): -32.3797 -32.3797 -13.6942 -13.6942 -13.3393 -13.3393 -13.2927 -13.2927 -2.1422 -2.1422 -1.7421 -1.7421 0.9423 0.9423 0.9818 0.9818 1.0629 1.0629 1.1993 1.1993 1.3040 1.3040 1.3354 1.3354 1.4146 1.4146 1.4932 1.4932 1.6422 1.6422 1.7035 1.7035 2.8258 2.8258 3.3010 3.3010 5.6916 5.6916 5.7324 5.7324 7.0953 7.0953 7.1733 7.1733 9.6353 9.6353 10.2952 10.2952 10.8306 10.8306 10.8499 10.8499 k = 0.4744 0.3331 0.2953 ( 3432 PWs) bands (ev): -32.3797 -32.3797 -13.6942 -13.6942 -13.3391 -13.3391 -13.2932 -13.2932 -2.1377 -2.1377 -1.7422 -1.7422 0.9442 0.9442 0.9822 0.9822 1.0618 1.0618 1.1986 1.1986 1.3032 1.3032 1.3373 1.3373 1.4144 1.4144 1.4958 1.4958 1.6409 1.6409 1.7059 1.7059 2.8318 2.8318 3.3032 3.3032 5.6892 5.6892 5.6991 5.6991 7.0453 7.0453 7.1626 7.1626 9.6640 9.6640 10.3541 10.3541 10.8383 10.8383 10.8816 10.8816 k = 0.4679 0.3442 0.2953 ( 3430 PWs) bands (ev): -32.3797 -32.3797 -13.6942 -13.6942 -13.3388 -13.3388 -13.2938 -13.2938 -2.1319 -2.1319 -1.7423 -1.7423 0.9464 0.9464 0.9826 0.9826 1.0606 1.0606 1.1979 1.1979 1.3026 1.3026 1.3393 1.3393 1.4142 1.4142 1.4988 1.4988 1.6394 1.6394 1.7089 1.7089 2.8394 2.8394 3.3060 3.3060 5.6383 5.6383 5.7059 5.7059 6.9842 6.9842 7.1496 7.1496 9.6978 9.6978 10.4276 10.4276 10.8244 10.8244 10.9460 10.9460 k = 0.4615 0.3553 0.2953 ( 3434 PWs) bands (ev): -32.3797 -32.3797 -13.6942 -13.6942 -13.3385 -13.3385 -13.2945 -13.2945 -2.1249 -2.1249 -1.7425 -1.7425 0.9491 0.9491 0.9832 0.9832 1.0590 1.0590 1.1970 1.1970 1.3021 1.3021 1.3413 1.3413 1.4139 1.4139 1.5021 1.5021 1.6379 1.6379 1.7125 1.7125 2.8486 2.8486 3.3092 3.3092 5.5779 5.5779 5.7149 5.7149 6.9145 6.9145 7.1342 7.1342 9.7354 9.7354 10.5144 10.5144 10.8086 10.8086 11.0231 11.0231 k = 0.4551 0.3664 0.2953 ( 3438 PWs) bands (ev): -32.3796 -32.3796 -13.6943 -13.6943 -13.3381 -13.3381 -13.2954 -13.2954 -2.1167 -2.1167 -1.7428 -1.7428 0.9522 0.9522 0.9838 0.9838 1.0573 1.0573 1.1962 1.1962 1.3018 1.3018 1.3432 1.3432 1.4136 1.4136 1.5054 1.5054 1.6366 1.6366 1.7165 1.7165 2.8595 2.8595 3.3129 3.3129 5.5101 5.5101 5.7250 5.7250 6.8386 6.8386 7.1164 7.1164 9.7756 9.7756 10.6127 10.6127 10.7914 10.7914 11.1119 11.1119 k = 0.4487 0.3775 0.2953 ( 3442 PWs) bands (ev): -32.3796 -32.3796 -13.6943 -13.6943 -13.3377 -13.3377 -13.2963 -13.2963 -2.1073 -2.1073 -1.7433 -1.7433 0.9557 0.9557 0.9845 0.9845 1.0554 1.0554 1.1954 1.1954 1.3018 1.3018 1.3451 1.3451 1.4133 1.4133 1.5086 1.5086 1.6358 1.6358 1.7211 1.7211 2.8718 2.8718 3.3167 3.3167 5.4364 5.4364 5.7358 5.7358 6.7587 6.7587 7.0963 7.0963 9.8174 9.8174 10.7200 10.7200 10.7740 10.7740 11.2109 11.2109 k = 0.4423 0.3886 0.2953 ( 3438 PWs) bands (ev): -32.3796 -32.3796 -13.6943 -13.6943 -13.3372 -13.3372 -13.2974 -13.2974 -2.0969 -2.0969 -1.7439 -1.7439 0.9595 0.9595 0.9853 0.9853 1.0534 1.0534 1.1948 1.1948 1.3020 1.3020 1.3470 1.3470 1.4129 1.4129 1.5113 1.5113 1.6354 1.6354 1.7263 1.7263 2.8857 2.8857 3.3208 3.3208 5.3582 5.3582 5.7467 5.7467 6.6772 6.6772 7.0740 7.0740 9.8603 9.8603 10.7521 10.7521 10.8397 10.8397 11.3186 11.3186 k = 0.4359 0.3997 0.2953 ( 3434 PWs) bands (ev): -32.3795 -32.3795 -13.6944 -13.6944 -13.3367 -13.3367 -13.2985 -13.2985 -2.0854 -2.0854 -1.7448 -1.7448 0.9635 0.9635 0.9862 0.9862 1.0514 1.0514 1.1944 1.1944 1.3024 1.3024 1.3488 1.3488 1.4125 1.4125 1.5134 1.5134 1.6355 1.6355 1.7320 1.7320 2.9010 2.9010 3.3248 3.3248 5.2766 5.2766 5.7568 5.7568 6.5964 6.5964 7.0497 7.0497 9.9039 9.9039 10.7331 10.7331 10.9629 10.9629 11.4331 11.4331 k = 0.4295 0.4108 0.2953 ( 3434 PWs) bands (ev): -32.3795 -32.3795 -13.6944 -13.6944 -13.3361 -13.3361 -13.2997 -13.2997 -2.0730 -2.0730 -1.7460 -1.7460 0.9678 0.9678 0.9871 0.9871 1.0493 1.0493 1.1942 1.1942 1.3028 1.3028 1.3507 1.3507 1.4121 1.4121 1.5147 1.5147 1.6363 1.6363 1.7382 1.7382 2.9176 2.9176 3.3286 3.3286 5.1930 5.1930 5.7652 5.7652 6.5186 6.5186 7.0233 7.0233 9.9480 9.9480 10.7135 10.7135 11.0920 11.0920 11.5525 11.5525 k = 0.4231 0.4219 0.2953 ( 3438 PWs) bands (ev): -32.3794 -32.3794 -13.6945 -13.6945 -13.3355 -13.3355 -13.3010 -13.3010 -2.0596 -2.0596 -1.7474 -1.7474 0.9722 0.9722 0.9880 0.9880 1.0473 1.0473 1.1942 1.1942 1.3032 1.3032 1.3527 1.3527 1.4116 1.4116 1.5151 1.5151 1.6376 1.6376 1.7450 1.7450 2.9355 2.9355 3.3319 3.3319 5.1086 5.1086 5.7703 5.7703 6.4466 6.4466 6.9952 6.9952 9.9924 9.9924 10.6938 10.6938 11.2248 11.2248 11.6747 11.6747 k = 0.4167 0.4330 0.2953 ( 3442 PWs) bands (ev): -32.3794 -32.3794 -13.6946 -13.6946 -13.3348 -13.3348 -13.3024 -13.3024 -2.0455 -2.0455 -1.7493 -1.7493 0.9767 0.9767 0.9889 0.9889 1.0453 1.0453 1.1945 1.1945 1.3036 1.3036 1.3548 1.3548 1.4110 1.4110 1.5147 1.5147 1.6395 1.6395 1.7522 1.7522 2.9545 2.9545 3.3347 3.3347 5.0244 5.0244 5.7702 5.7702 6.3833 6.3833 6.9655 6.9655 10.0369 10.0369 10.6744 10.6744 11.3601 11.3601 11.7975 11.7975 k = 0.4103 0.4441 0.2953 ( 3442 PWs) bands (ev): -32.3793 -32.3793 -13.6947 -13.6947 -13.3341 -13.3341 -13.3038 -13.3038 -2.0307 -2.0307 -1.7516 -1.7516 0.9812 0.9812 0.9899 0.9899 1.0434 1.0434 1.1950 1.1950 1.3039 1.3039 1.3571 1.3571 1.4104 1.4104 1.5135 1.5135 1.6417 1.6417 1.7600 1.7600 2.9744 2.9744 3.3366 3.3366 4.9415 4.9415 5.7627 5.7627 6.3317 6.3317 6.9343 6.9343 10.0815 10.0815 10.6554 10.6554 11.4963 11.4963 11.9180 11.9180 k = 0.4038 0.4552 0.2953 ( 3442 PWs) bands (ev): -32.3793 -32.3793 -13.6948 -13.6948 -13.3334 -13.3334 -13.3052 -13.3052 -2.0152 -2.0152 -1.7544 -1.7544 0.9856 0.9856 0.9910 0.9910 1.0417 1.0417 1.1959 1.1959 1.3040 1.3040 1.3598 1.3598 1.4098 1.4098 1.5117 1.5117 1.6442 1.6442 1.7680 1.7680 2.9951 2.9951 3.3373 3.3373 4.8608 4.8608 5.7464 5.7464 6.2944 6.2944 6.9018 6.9018 10.1258 10.1258 10.6369 10.6369 11.6324 11.6324 12.0330 12.0330 k = 0.3974 0.4663 0.2953 ( 3438 PWs) bands (ev): -32.3792 -32.3792 -13.6948 -13.6948 -13.3327 -13.3327 -13.3066 -13.3066 -1.9992 -1.9992 -1.7578 -1.7578 0.9898 0.9898 0.9922 0.9922 1.0401 1.0401 1.1970 1.1970 1.3038 1.3038 1.3627 1.3627 1.4092 1.4092 1.5094 1.5094 1.6468 1.6468 1.7762 1.7762 3.0165 3.0165 3.3367 3.3367 4.7834 4.7834 5.7208 5.7208 6.2723 6.2723 6.8681 6.8681 10.1698 10.1698 10.6190 10.6190 11.7671 11.7671 12.1386 12.1386 k = 0.3910 0.4774 0.2953 ( 3434 PWs) bands (ev): -32.3792 -32.3792 -13.6949 -13.6949 -13.3319 -13.3319 -13.3080 -13.3080 -1.9828 -1.9828 -1.7618 -1.7618 0.9923 0.9923 0.9947 0.9947 1.0387 1.0387 1.1984 1.1984 1.3034 1.3034 1.3659 1.3659 1.4085 1.4085 1.5068 1.5068 1.6495 1.6495 1.7844 1.7844 3.0383 3.0383 3.3345 3.3345 4.7101 4.7101 5.6876 5.6876 6.2645 6.2645 6.8334 6.8334 10.2129 10.2129 10.6017 10.6017 11.8994 11.8994 12.2298 12.2298 k = 0.3846 0.4885 0.2953 ( 3438 PWs) bands (ev): -32.3791 -32.3791 -13.6950 -13.6950 -13.3311 -13.3311 -13.3094 -13.3094 -1.9662 -1.9662 -1.7665 -1.7665 0.9935 0.9935 0.9984 0.9984 1.0374 1.0374 1.2000 1.2000 1.3027 1.3027 1.3694 1.3694 1.4077 1.4077 1.5039 1.5039 1.6522 1.6522 1.7924 1.7924 3.0603 3.0603 3.3305 3.3305 4.6419 4.6419 5.6495 5.6495 6.2688 6.2688 6.7979 6.7979 10.2548 10.2548 10.5851 10.5851 12.0287 12.0287 12.3018 12.3018 k = 0.3782 0.4996 0.2953 ( 3434 PWs) bands (ev): -32.3791 -32.3791 -13.6951 -13.6951 -13.3303 -13.3303 -13.3107 -13.3107 -1.9493 -1.9493 -1.7720 -1.7720 0.9944 0.9944 1.0019 1.0019 1.0364 1.0364 1.2017 1.2017 1.3018 1.3018 1.3731 1.3731 1.4070 1.4070 1.5010 1.5010 1.6548 1.6548 1.8000 1.8000 3.0823 3.0823 3.3243 3.3243 4.5795 4.5795 5.6099 5.6099 6.2825 6.2825 6.7616 6.7616 10.2950 10.2950 10.5692 10.5692 12.1541 12.1541 12.3513 12.3513 k = 0.3718 0.5107 0.2953 ( 3434 PWs) bands (ev): -32.3790 -32.3790 -13.6952 -13.6952 -13.3295 -13.3295 -13.3120 -13.3120 -1.9325 -1.9325 -1.7783 -1.7783 0.9952 0.9952 1.0050 1.0050 1.0356 1.0356 1.2035 1.2035 1.3007 1.3007 1.3769 1.3769 1.4062 1.4062 1.4981 1.4981 1.6574 1.6574 1.8069 1.8069 3.1040 3.1040 3.3161 3.3161 4.5238 4.5238 5.5715 5.5715 6.3033 6.3033 6.7248 6.7248 10.3330 10.3330 10.5541 10.5541 12.2751 12.2751 12.3792 12.3792 k = 0.3654 0.5218 0.2953 ( 3434 PWs) bands (ev): -32.3790 -32.3790 -13.6953 -13.6953 -13.3288 -13.3288 -13.3132 -13.3132 -1.9157 -1.9157 -1.7856 -1.7856 0.9960 0.9960 1.0077 1.0077 1.0351 1.0351 1.2053 1.2053 1.2996 1.2996 1.3806 1.3806 1.4053 1.4053 1.4955 1.4955 1.6598 1.6598 1.8130 1.8130 3.1252 3.1252 3.3056 3.3056 4.4756 4.4756 5.5364 5.5364 6.3293 6.3293 6.6876 6.6876 10.3681 10.3681 10.5398 10.5398 12.3886 12.3886 12.3930 12.3930 k = 0.3590 0.5329 0.2953 ( 3438 PWs) bands (ev): -32.3790 -32.3790 -13.6953 -13.6953 -13.3281 -13.3281 -13.3143 -13.3143 -1.8992 -1.8992 -1.7939 -1.7939 0.9966 0.9966 1.0099 1.0099 1.0347 1.0347 1.2070 1.2070 1.2984 1.2984 1.3842 1.3842 1.4043 1.4043 1.4931 1.4931 1.6621 1.6621 1.8180 1.8180 3.1459 3.1459 3.2929 3.2929 4.4354 4.4354 5.5061 5.5061 6.3591 6.3591 6.6501 6.6501 10.3997 10.3997 10.5262 10.5262 12.3912 12.3912 12.5019 12.5019 k = 0.3526 0.5440 0.2953 ( 3440 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3275 -13.3275 -13.3153 -13.3153 -1.8832 -1.8832 -1.8032 -1.8032 0.9972 0.9972 1.0115 1.0115 1.0346 1.0346 1.2085 1.2085 1.2974 1.2974 1.3875 1.3875 1.4033 1.4033 1.4912 1.4912 1.6641 1.6641 1.8220 1.8220 3.1658 3.1658 3.2784 3.2784 4.4037 4.4037 5.4818 5.4818 6.3917 6.3917 6.6124 6.6124 10.4273 10.4273 10.5135 10.5135 12.3874 12.3874 12.6063 12.6063 k = 0.3462 0.5551 0.2953 ( 3432 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3270 -13.3270 -13.3159 -13.3159 -1.8677 -1.8677 -1.8136 -1.8136 0.9977 0.9977 1.0126 1.0126 1.0346 1.0346 1.2098 1.2098 1.2965 1.2965 1.3902 1.3902 1.4024 1.4024 1.4899 1.4899 1.6658 1.6658 1.8248 1.8248 3.1848 3.1848 3.2623 3.2623 4.3811 4.3811 5.4640 5.4640 6.4264 6.4264 6.5748 6.5748 10.4501 10.4501 10.5016 10.5016 12.3828 12.3828 12.7035 12.7035 k = 0.3397 0.5662 0.2953 ( 3420 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3266 -13.3266 -13.3164 -13.3164 -1.8531 -1.8531 -1.8249 -1.8249 0.9980 0.9980 1.0132 1.0132 1.0347 1.0347 1.2106 1.2106 1.2960 1.2960 1.3922 1.3922 1.4016 1.4016 1.4891 1.4891 1.6669 1.6669 1.8264 1.8264 3.2024 3.2024 3.2458 3.2458 4.3675 4.3675 5.4533 5.4533 6.4624 6.4624 6.5372 6.5372 10.4679 10.4679 10.4906 10.4906 12.3795 12.3795 12.7924 12.7924 k = 0.3333 0.5774 0.2953 ( 3408 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3265 -13.3265 -13.3165 -13.3165 -1.8425 -1.8425 -1.8344 -1.8344 0.9981 0.9981 1.0134 1.0134 1.0348 1.0348 1.2110 1.2110 1.2958 1.2958 1.3930 1.3930 1.4013 1.4013 1.4888 1.4888 1.6674 1.6674 1.8270 1.8270 3.2133 3.2133 3.2351 3.2351 4.3630 4.3630 5.4497 5.4497 6.4964 6.4964 6.5028 6.5028 10.4789 10.4789 10.4819 10.4819 12.3784 12.3784 12.8635 12.8636 k = 0.3333 0.5774 0.2953 ( 3408 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3265 -13.3265 -13.3165 -13.3165 -1.8425 -1.8425 -1.8344 -1.8344 0.9981 0.9981 1.0134 1.0134 1.0348 1.0348 1.2110 1.2110 1.2958 1.2958 1.3930 1.3930 1.4013 1.4013 1.4888 1.4888 1.6674 1.6674 1.8270 1.8270 3.2133 3.2133 3.2351 3.2351 4.3630 4.3630 5.4497 5.4497 6.4964 6.4964 6.5028 6.5028 10.4789 10.4789 10.4819 10.4819 12.3784 12.3784 12.8636 12.8636 k = 0.3269 0.5662 0.2953 ( 3422 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3266 -13.3266 -13.3164 -13.3164 -1.8533 -1.8533 -1.8248 -1.8248 0.9980 0.9980 1.0132 1.0132 1.0347 1.0347 1.2106 1.2106 1.2960 1.2960 1.3922 1.3922 1.4015 1.4015 1.4890 1.4890 1.6668 1.6668 1.8265 1.8265 3.2025 3.2025 3.2461 3.2461 4.3674 4.3674 5.4533 5.4533 6.4623 6.4623 6.5372 6.5372 10.4710 10.4710 10.4876 10.4876 12.3791 12.3791 12.8284 12.8284 k = 0.3205 0.5551 0.2953 ( 3426 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3269 -13.3269 -13.3160 -13.3160 -1.8685 -1.8685 -1.8132 -1.8132 0.9975 0.9975 1.0129 1.0129 1.0344 1.0344 1.2096 1.2096 1.2967 1.2967 1.3904 1.3904 1.4022 1.4022 1.4897 1.4897 1.6651 1.6651 1.8253 1.8253 3.1858 3.1858 3.2643 3.2643 4.3803 4.3803 5.4638 5.4638 6.4256 6.4256 6.5747 6.5747 10.4627 10.4627 10.4894 10.4894 12.3796 12.3796 12.7903 12.7904 k = 0.3141 0.5440 0.2953 ( 3426 PWs) bands (ev): -32.3789 -32.3789 -13.6953 -13.6953 -13.3273 -13.3273 -13.3153 -13.3153 -1.8854 -1.8854 -1.8027 -1.8027 0.9968 0.9968 1.0123 1.0123 1.0338 1.0338 1.2080 1.2080 1.2979 1.2979 1.3877 1.3877 1.4029 1.4029 1.4907 1.4907 1.6620 1.6620 1.8235 1.8235 3.1696 3.1696 3.2843 3.2843 4.4010 4.4010 5.4809 5.4809 6.3894 6.3894 6.6119 6.6119 10.4553 10.4553 10.4864 10.4864 12.3762 12.3762 12.7534 12.7534 k = 0.3077 0.5329 0.2953 ( 3426 PWs) bands (ev): -32.3790 -32.3790 -13.6952 -13.6952 -13.3277 -13.3277 -13.3146 -13.3146 -1.9037 -1.9037 -1.7936 -1.7936 0.9956 0.9956 1.0117 1.0117 1.0329 1.0329 1.2058 1.2058 1.2995 1.2995 1.3844 1.3844 1.4035 1.4035 1.4918 1.4918 1.6574 1.6574 1.8214 1.8214 3.1556 3.1556 3.3061 3.3061 4.4292 4.4292 5.5044 5.5044 6.3537 6.3537 6.6484 6.6484 10.4490 10.4490 10.4793 10.4793 12.3646 12.3646 12.7179 12.7179 k = 0.3013 0.5218 0.2953 ( 3438 PWs) bands (ev): -32.3790 -32.3790 -13.6951 -13.6951 -13.3281 -13.3281 -13.3138 -13.3138 -1.9234 -1.9234 -1.7860 -1.7860 0.9939 0.9939 1.0110 1.0110 1.0316 1.0316 1.2029 1.2029 1.3015 1.3015 1.3806 1.3806 1.4039 1.4039 1.4929 1.4929 1.6511 1.6511 1.8189 1.8189 3.1447 3.1447 3.3297 3.3297 4.4641 4.4641 5.5339 5.5339 6.3188 6.3188 6.6839 6.6839 10.4437 10.4437 10.4688 10.4688 12.3409 12.3409 12.6841 12.6841 k = 0.2949 0.5107 0.2953 ( 3438 PWs) bands (ev): -32.3791 -32.3791 -13.6949 -13.6949 -13.3285 -13.3285 -13.3128 -13.3128 -1.9446 -1.9446 -1.7801 -1.7801 0.9919 0.9919 1.0103 1.0103 1.0300 1.0300 1.1995 1.1995 1.3040 1.3040 1.3764 1.3764 1.4042 1.4042 1.4939 1.4939 1.6436 1.6436 1.8161 1.8161 3.1377 3.1377 3.3556 3.3556 4.5050 4.5050 5.5689 5.5689 6.2847 6.2847 6.7181 6.7181 10.4395 10.4395 10.4557 10.4557 12.3050 12.3050 12.6526 12.6526 k = 0.2885 0.4996 0.2953 ( 3432 PWs) bands (ev): -32.3791 -32.3791 -13.6946 -13.6946 -13.3287 -13.3287 -13.3118 -13.3118 -1.9672 -1.9672 -1.7759 -1.7759 0.9894 0.9894 1.0094 1.0094 1.0281 1.0281 1.1956 1.1956 1.3067 1.3067 1.3717 1.3717 1.4044 1.4044 1.4946 1.4946 1.6350 1.6350 1.8126 1.8126 3.1356 3.1356 3.3838 3.3838 4.5516 4.5516 5.6091 5.6091 6.2515 6.2515 6.7506 6.7506 10.4362 10.4362 10.4411 10.4411 12.2593 12.2593 12.6237 12.6237 k = 0.2821 0.4885 0.2953 ( 3444 PWs) bands (ev): -32.3792 -32.3792 -13.6944 -13.6944 -13.3290 -13.3290 -13.3107 -13.3107 -1.9912 -1.9912 -1.7736 -1.7736 0.9864 0.9864 1.0083 1.0083 1.0259 1.0259 1.1912 1.1912 1.3096 1.3096 1.3667 1.3667 1.4045 1.4045 1.4949 1.4949 1.6256 1.6256 1.8084 1.8084 3.1391 3.1391 3.4145 3.4145 4.6031 4.6031 5.6540 5.6540 6.2194 6.2194 6.7810 6.7810 10.4249 10.4249 10.4350 10.4350 12.2072 12.2072 12.5976 12.5976 k = 0.2756 0.4774 0.2953 ( 3440 PWs) bands (ev): -32.3793 -32.3793 -13.6940 -13.6940 -13.3292 -13.3292 -13.3096 -13.3096 -2.0166 -2.0166 -1.7732 -1.7732 0.9830 0.9830 1.0068 1.0068 1.0237 1.0237 1.1864 1.1864 1.3127 1.3127 1.3614 1.3614 1.4043 1.4043 1.4947 1.4947 1.6162 1.6162 1.8031 1.8031 3.1486 3.1486 3.4477 3.4477 4.6591 4.6591 5.7032 5.7032 6.1884 6.1884 6.8092 6.8092 10.4094 10.4094 10.4346 10.4346 12.1516 12.1516 12.5746 12.5746 k = 0.2692 0.4663 0.2953 ( 3452 PWs) bands (ev): -32.3794 -32.3794 -13.6937 -13.6937 -13.3293 -13.3293 -13.3086 -13.3086 -2.0433 -2.0433 -1.7749 -1.7749 0.9793 0.9793 1.0047 1.0047 1.0215 1.0215 1.1813 1.1813 1.3157 1.3157 1.3559 1.3559 1.4040 1.4040 1.4940 1.4940 1.6070 1.6070 1.7966 1.7966 3.1648 3.1648 3.4833 3.4833 4.7191 4.7191 5.7563 5.7563 6.1588 6.1588 6.8348 6.8348 10.3944 10.3944 10.4356 10.4356 12.0945 12.0945 12.5546 12.5546 k = 0.2628 0.4552 0.2953 ( 3446 PWs) bands (ev): -32.3795 -32.3795 -13.6932 -13.6932 -13.3293 -13.3293 -13.3074 -13.3074 -2.0713 -2.0713 -1.7785 -1.7785 0.9753 0.9753 1.0020 1.0020 1.0196 1.0196 1.1759 1.1759 1.3187 1.3187 1.3504 1.3504 1.4035 1.4035 1.4927 1.4927 1.5985 1.5985 1.7888 1.7888 3.1878 3.1878 3.5212 3.5212 4.7829 4.7829 5.8130 5.8130 6.1306 6.1306 6.8576 6.8576 10.3808 10.3808 10.4382 10.4382 12.0374 12.0374 12.5378 12.5378 k = 0.2564 0.4441 0.2953 ( 3446 PWs) bands (ev): -32.3796 -32.3796 -13.6927 -13.6927 -13.3292 -13.3292 -13.3063 -13.3063 -2.1005 -2.1005 -1.7842 -1.7842 0.9711 0.9711 0.9984 0.9984 1.0180 1.0180 1.1701 1.1701 1.3212 1.3212 1.3454 1.3454 1.4026 1.4026 1.4909 1.4909 1.5910 1.5910 1.7797 1.7797 3.2179 3.2179 3.5612 3.5612 4.8500 4.8500 5.8728 5.8728 6.1040 6.1040 6.8773 6.8773 10.3692 10.3692 10.4424 10.4424 11.9813 11.9813 12.5238 12.5238 k = 0.2500 0.4330 0.2953 ( 3446 PWs) bands (ev): -32.3798 -32.3798 -13.6921 -13.6921 -13.3290 -13.3290 -13.3051 -13.3051 -2.1309 -2.1309 -1.7920 -1.7920 0.9666 0.9666 0.9942 0.9942 1.0166 1.0166 1.1642 1.1642 1.3222 1.3222 1.3416 1.3416 1.4014 1.4014 1.4886 1.4886 1.5846 1.5846 1.7694 1.7694 3.2551 3.2551 3.6031 3.6031 4.9201 4.9201 5.9354 5.9354 6.0792 6.0792 6.8938 6.8938 10.3598 10.3598 10.4484 10.4484 11.9269 11.9269 12.5124 12.5124 k = 0.2436 0.4219 0.2953 ( 3446 PWs) bands (ev): -32.3799 -32.3799 -13.6915 -13.6915 -13.3287 -13.3287 -13.3039 -13.3039 -2.1623 -2.1623 -1.8017 -1.8017 0.9619 0.9619 0.9894 0.9894 1.0153 1.0153 1.1581 1.1581 1.3205 1.3205 1.3406 1.3406 1.3997 1.3997 1.4862 1.4862 1.5794 1.5794 1.7578 1.7578 3.2993 3.2993 3.6467 3.6467 4.9929 4.9929 6.0001 6.0001 6.0568 6.0568 6.9070 6.9070 10.3531 10.3531 10.4561 10.4561 11.8748 11.8748 12.5027 12.5027 k = 0.2372 0.4108 0.2953 ( 3442 PWs) bands (ev): -32.3801 -32.3801 -13.6908 -13.6908 -13.3283 -13.3283 -13.3026 -13.3026 -2.1947 -2.1947 -1.8135 -1.8135 0.9571 0.9571 0.9842 0.9842 1.0142 1.0142 1.1519 1.1519 1.3161 1.3161 1.3422 1.3422 1.3976 1.3976 1.4839 1.4839 1.5753 1.5753 1.7454 1.7454 3.3504 3.3504 3.6917 3.6917 5.0683 5.0683 6.0341 6.0341 6.0693 6.0693 6.9167 6.9167 10.3493 10.3493 10.4659 10.4659 11.8254 11.8254 12.4934 12.4934 k = 0.2308 0.3997 0.2953 ( 3442 PWs) bands (ev): -32.3802 -32.3802 -13.6901 -13.6901 -13.3279 -13.3279 -13.3014 -13.3014 -2.2279 -2.2279 -1.8272 -1.8272 0.9522 0.9522 0.9787 0.9787 1.0129 1.0129 1.1456 1.1456 1.3103 1.3103 1.3450 1.3450 1.3952 1.3952 1.4817 1.4817 1.5720 1.5720 1.7323 1.7323 3.4081 3.4081 3.7377 3.7377 5.1459 5.1459 6.0168 6.0168 6.1374 6.1374 6.9230 6.9230 10.3485 10.3485 10.4777 10.4777 11.7791 11.7791 12.4820 12.4820 k = 0.2244 0.3886 0.2953 ( 3442 PWs) bands (ev): -32.3804 -32.3804 -13.6893 -13.6893 -13.3274 -13.3274 -13.3002 -13.3002 -2.2619 -2.2619 -1.8427 -1.8427 0.9472 0.9472 0.9731 0.9731 1.0115 1.0115 1.1394 1.1394 1.3039 1.3039 1.3483 1.3483 1.3927 1.3927 1.4799 1.4799 1.5695 1.5695 1.7188 1.7188 3.4722 3.4722 3.7845 3.7845 5.2256 5.2256 6.0014 6.0014 6.2076 6.2076 6.9259 6.9259 10.3507 10.3507 10.4916 10.4916 11.7360 11.7360 12.4645 12.4645 k = 0.2179 0.3775 0.2953 ( 3446 PWs) bands (ev): -32.3806 -32.3806 -13.6885 -13.6885 -13.3268 -13.3268 -13.2989 -13.2989 -2.2966 -2.2966 -1.8599 -1.8599 0.9421 0.9421 0.9674 0.9674 1.0100 1.0100 1.1331 1.1331 1.2973 1.2973 1.3515 1.3515 1.3901 1.3901 1.4786 1.4786 1.5674 1.5674 1.7050 1.7050 3.5424 3.5424 3.8315 3.8315 5.3072 5.3072 5.9890 5.9890 6.2789 6.2789 6.9256 6.9256 10.3557 10.3557 10.5077 10.5077 11.6962 11.6962 12.4361 12.4361 k = 0.2115 0.3664 0.2953 ( 3444 PWs) bands (ev): -32.3808 -32.3808 -13.6876 -13.6876 -13.3261 -13.3261 -13.2976 -13.2976 -2.3318 -2.3318 -1.8787 -1.8787 0.9371 0.9371 0.9618 0.9618 1.0083 1.0083 1.1271 1.1271 1.2906 1.2906 1.3542 1.3542 1.3881 1.3881 1.4777 1.4777 1.5657 1.5657 1.6914 1.6914 3.6183 3.6183 3.8784 3.8784 5.3904 5.3904 5.9799 5.9799 6.3508 6.3508 6.9222 6.9222 10.3635 10.3635 10.5262 10.5262 11.6598 11.6598 12.3950 12.3950 k = 0.2051 0.3553 0.2953 ( 3444 PWs) bands (ev): -32.3810 -32.3810 -13.6867 -13.6867 -13.3254 -13.3254 -13.2963 -13.2963 -2.3674 -2.3674 -1.8991 -1.8991 0.9321 0.9321 0.9564 0.9564 1.0064 1.0064 1.1211 1.1211 1.2839 1.2839 1.3558 1.3558 1.3869 1.3869 1.4773 1.4773 1.5643 1.5643 1.6781 1.6781 3.6998 3.6998 3.9248 3.9248 5.4751 5.4751 5.9746 5.9746 6.4228 6.4228 6.9160 6.9160 10.3737 10.3737 10.5470 10.5470 11.6267 11.6267 12.3434 12.3434 k = 0.1987 0.3442 0.2953 ( 3444 PWs) bands (ev): -32.3812 -32.3812 -13.6857 -13.6857 -13.3247 -13.3247 -13.2949 -13.2949 -2.4033 -2.4033 -1.9208 -1.9208 0.9272 0.9272 0.9511 0.9511 1.0043 1.0043 1.1154 1.1154 1.2771 1.2771 1.3561 1.3561 1.3872 1.3872 1.4772 1.4772 1.5629 1.5629 1.6653 1.6653 3.7865 3.7865 3.9703 3.9703 5.5610 5.5610 5.9734 5.9734 6.4943 6.4943 6.9075 6.9075 10.3860 10.3860 10.5703 10.5703 11.5966 11.5966 12.2849 12.2849 k = 0.1923 0.3331 0.2953 ( 3444 PWs) bands (ev): -32.3814 -32.3814 -13.6847 -13.6847 -13.3239 -13.3239 -13.2935 -13.2935 -2.4393 -2.4393 -1.9437 -1.9437 0.9224 0.9224 0.9461 0.9461 1.0020 1.0020 1.1099 1.1099 1.2705 1.2705 1.3549 1.3549 1.3888 1.3888 1.4774 1.4774 1.5615 1.5615 1.6533 1.6533 3.8780 3.8780 4.0144 4.0144 5.6479 5.6479 5.9768 5.9768 6.5644 6.5644 6.8975 6.8975 10.4003 10.4003 10.5961 10.5961 11.5691 11.5691 12.2223 12.2223 k = 0.1859 0.3220 0.2953 ( 3444 PWs) bands (ev): -32.3817 -32.3817 -13.6837 -13.6837 -13.3230 -13.3230 -13.2921 -13.2921 -2.4754 -2.4754 -1.9677 -1.9677 0.9177 0.9177 0.9414 0.9414 0.9995 0.9995 1.1046 1.1046 1.2639 1.2639 1.3526 1.3526 1.3914 1.3914 1.4778 1.4778 1.5599 1.5599 1.6422 1.6422 3.9740 3.9740 4.0568 4.0568 5.7353 5.7353 5.9853 5.9853 6.6318 6.6318 6.8872 6.8872 10.4160 10.4160 10.6243 10.6243 11.5438 11.5438 12.1572 12.1572 k = 0.1795 0.3109 0.2953 ( 3444 PWs) bands (ev): -32.3819 -32.3819 -13.6827 -13.6827 -13.3221 -13.3221 -13.2906 -13.2906 -2.5114 -2.5114 -1.9927 -1.9927 0.9133 0.9133 0.9371 0.9371 0.9968 0.9968 1.0996 1.0996 1.2573 1.2573 1.3498 1.3498 1.3945 1.3945 1.4785 1.4785 1.5582 1.5582 1.6322 1.6322 4.0719 4.0719 4.0995 4.0995 5.8228 5.8228 5.9999 5.9999 6.6932 6.6932 6.8799 6.8799 10.4328 10.4328 10.6550 10.6550 11.5200 11.5200 12.0908 12.0908 k = 0.1731 0.2998 0.2953 ( 3442 PWs) bands (ev): -32.3821 -32.3821 -13.6816 -13.6816 -13.3212 -13.3212 -13.2891 -13.2891 -2.5472 -2.5472 -2.0183 -2.0183 0.9090 0.9090 0.9330 0.9330 0.9939 0.9939 1.0948 1.0948 1.2508 1.2508 1.3465 1.3465 1.3978 1.3978 1.4795 1.4795 1.5563 1.5563 1.6234 1.6234 4.1302 4.1302 4.1831 4.1831 5.9087 5.9087 6.0222 6.0222 6.7405 6.7405 6.8836 6.8836 10.4503 10.4503 10.6881 10.6881 11.4975 11.4975 12.0239 12.0239 k = 0.1667 0.2887 0.2953 ( 3442 PWs) bands (ev): -32.3824 -32.3824 -13.6806 -13.6806 -13.3204 -13.3204 -13.2876 -13.2876 -2.5826 -2.5826 -2.0446 -2.0446 0.9050 0.9050 0.9293 0.9293 0.9909 0.9909 1.0902 1.0902 1.2444 1.2444 1.3432 1.3432 1.4008 1.4008 1.4808 1.4808 1.5543 1.5543 1.6159 1.6159 4.1652 4.1652 4.2910 4.2910 5.9870 5.9870 6.0582 6.0582 6.7612 6.7612 6.9107 6.9107 10.4681 10.4681 10.7235 10.7235 11.4760 11.4760 11.9569 11.9569 k = 0.1603 0.2776 0.2953 ( 3438 PWs) bands (ev): -32.3826 -32.3826 -13.6795 -13.6795 -13.3194 -13.3194 -13.2860 -13.2860 -2.6177 -2.6177 -2.0712 -2.0712 0.9013 0.9013 0.9259 0.9259 0.9877 0.9877 1.0859 1.0859 1.2381 1.2381 1.3398 1.3398 1.4034 1.4034 1.4825 1.4825 1.5521 1.5521 1.6095 1.6095 4.1960 4.1960 4.4035 4.4035 6.0447 6.0447 6.1209 6.1209 6.7580 6.7580 6.9586 6.9586 10.4856 10.4856 10.7610 10.7610 11.4555 11.4555 11.8904 11.8904 k = 0.1538 0.2665 0.2953 ( 3426 PWs) bands (ev): -32.3829 -32.3829 -13.6784 -13.6784 -13.3185 -13.3185 -13.2843 -13.2843 -2.6522 -2.6522 -2.0982 -2.0982 0.8978 0.8978 0.9229 0.9229 0.9845 0.9845 1.0818 1.0818 1.2318 1.2318 1.3366 1.3366 1.4054 1.4054 1.4846 1.4846 1.5499 1.5499 1.6044 1.6044 4.2231 4.2231 4.5196 4.5196 6.0890 6.0890 6.2031 6.2031 6.7437 6.7437 7.0145 7.0145 10.5021 10.5021 10.8003 10.8003 11.4366 11.4366 11.8250 11.8250 k = 0.1474 0.2554 0.2953 ( 3426 PWs) bands (ev): -32.3831 -32.3831 -13.6773 -13.6773 -13.3177 -13.3177 -13.2827 -13.2827 -2.6860 -2.6860 -2.1252 -2.1252 0.8946 0.8946 0.9201 0.9201 0.9812 0.9812 1.0779 1.0779 1.2255 1.2255 1.3334 1.3334 1.4067 1.4067 1.4871 1.4871 1.5477 1.5477 1.6002 1.6002 4.2464 4.2464 4.6390 4.6390 6.1337 6.1337 6.2909 6.2909 6.7248 6.7248 7.0719 7.0719 10.5168 10.5168 10.8410 10.8410 11.4202 11.4202 11.7612 11.7612 k = 0.1410 0.2443 0.2953 ( 3422 PWs) bands (ev): -32.3833 -32.3833 -13.6763 -13.6763 -13.3168 -13.3168 -13.2810 -13.2810 -2.7191 -2.7191 -2.1522 -2.1522 0.8917 0.8917 0.9176 0.9176 0.9778 0.9778 1.0742 1.0742 1.2193 1.2193 1.3303 1.3303 1.4072 1.4072 1.4902 1.4902 1.5459 1.5459 1.5969 1.5969 4.2661 4.2661 4.7613 4.7613 6.1824 6.1824 6.3801 6.3801 6.7038 6.7038 7.1283 7.1283 10.5288 10.5288 10.8823 10.8823 11.4077 11.4077 11.6996 11.6996 k = 0.1346 0.2332 0.2953 ( 3426 PWs) bands (ev): -32.3836 -32.3836 -13.6753 -13.6753 -13.3160 -13.3160 -13.2793 -13.2793 -2.7514 -2.7514 -2.1791 -2.1791 0.8889 0.8889 0.9155 0.9155 0.9745 0.9745 1.0707 1.0707 1.2132 1.2132 1.3273 1.3273 1.4070 1.4070 1.4937 1.4937 1.5443 1.5443 1.5942 1.5942 4.2823 4.2823 4.8862 4.8862 6.2359 6.2359 6.4694 6.4694 6.6822 6.6822 7.1826 7.1826 10.5368 10.5368 10.9232 10.9232 11.4007 11.4007 11.6415 11.6415 k = 0.1282 0.2221 0.2953 ( 3430 PWs) bands (ev): -32.3838 -32.3838 -13.6743 -13.6743 -13.3152 -13.3152 -13.2776 -13.2776 -2.7827 -2.7827 -2.2056 -2.2056 0.8864 0.8864 0.9136 0.9136 0.9712 0.9712 1.0674 1.0674 1.2071 1.2071 1.3245 1.3245 1.4061 1.4061 1.4976 1.4976 1.5432 1.5432 1.5920 1.5920 4.2951 4.2951 5.0134 5.0134 6.2942 6.2942 6.5583 6.5583 6.6606 6.6606 7.2342 7.2342 10.5395 10.5395 10.9623 10.9623 11.4009 11.4009 11.5881 11.5881 k = 0.1218 0.2110 0.2953 ( 3430 PWs) bands (ev): -32.3841 -32.3841 -13.6733 -13.6733 -13.3145 -13.3145 -13.2758 -13.2758 -2.8131 -2.8131 -2.2316 -2.2316 0.8841 0.8841 0.9120 0.9120 0.9679 0.9679 1.0642 1.0642 1.2011 1.2011 1.3217 1.3217 1.4048 1.4048 1.5017 1.5017 1.5425 1.5425 1.5902 1.5902 4.3048 4.3048 5.1424 5.1424 6.3571 6.3571 6.6382 6.6382 6.6479 6.6479 7.2828 7.2828 10.5359 10.5359 10.9970 10.9970 11.4097 11.4097 11.5418 11.5418 k = 0.1154 0.1999 0.2953 ( 3436 PWs) bands (ev): -32.3843 -32.3843 -13.6724 -13.6724 -13.3138 -13.3138 -13.2740 -13.2740 -2.8423 -2.8423 -2.2571 -2.2571 0.8820 0.8820 0.9107 0.9107 0.9648 0.9648 1.0612 1.0612 1.1952 1.1952 1.3191 1.3191 1.4032 1.4032 1.5059 1.5059 1.5423 1.5423 1.5887 1.5887 4.3116 4.3116 5.2725 5.2725 6.4242 6.4242 6.6198 6.6198 6.7337 6.7337 7.3281 7.3281 10.5250 10.5250 11.0238 11.0238 11.4282 11.4282 11.5057 11.5057 k = 0.1090 0.1887 0.2953 ( 3436 PWs) bands (ev): -32.3845 -32.3845 -13.6715 -13.6715 -13.3131 -13.3131 -13.2723 -13.2723 -2.8703 -2.8703 -2.2819 -2.2819 0.8800 0.8800 0.9097 0.9097 0.9617 0.9617 1.0583 1.0583 1.1894 1.1894 1.3166 1.3166 1.4013 1.4013 1.5101 1.5101 1.5426 1.5426 1.5875 1.5875 4.3160 4.3160 5.4032 5.4032 6.4949 6.4949 6.6025 6.6025 6.8192 6.8192 7.3699 7.3699 10.5062 10.5062 11.0385 11.0385 11.4563 11.4563 11.4840 11.4840 k = 0.1026 0.1776 0.2953 ( 3440 PWs) bands (ev): -32.3848 -32.3848 -13.6706 -13.6706 -13.3125 -13.3125 -13.2705 -13.2705 -2.8971 -2.8971 -2.3058 -2.3058 0.8781 0.8781 0.9089 0.9089 0.9588 0.9588 1.0555 1.0555 1.1837 1.1837 1.3142 1.3142 1.3994 1.3994 1.5140 1.5140 1.5436 1.5436 1.5864 1.5864 4.3182 4.3182 5.5332 5.5332 6.5678 6.5678 6.5890 6.5890 6.9029 6.9029 7.4084 7.4084 10.4792 10.4792 11.0378 11.0378 11.4744 11.4744 11.4984 11.4984 k = 0.0962 0.1665 0.2953 ( 3438 PWs) bands (ev): -32.3850 -32.3850 -13.6698 -13.6698 -13.3119 -13.3119 -13.2688 -13.2688 -2.9226 -2.9226 -2.3288 -2.3288 0.8763 0.8763 0.9084 0.9084 0.9560 0.9560 1.0530 1.0530 1.1783 1.1783 1.3120 1.3120 1.3975 1.3975 1.5175 1.5175 1.5453 1.5453 1.5855 1.5855 4.3186 4.3186 5.6612 5.6612 6.5777 6.5777 6.6457 6.6457 6.9843 6.9843 7.4434 7.4434 10.4441 10.4441 11.0217 11.0217 11.4829 11.4829 11.5462 11.5462 k = 0.0897 0.1554 0.2953 ( 3436 PWs) bands (ev): -32.3852 -32.3852 -13.6690 -13.6690 -13.3113 -13.3113 -13.2671 -13.2671 -2.9467 -2.9467 -2.3508 -2.3508 0.8746 0.8746 0.9081 0.9081 0.9534 0.9534 1.0505 1.0505 1.1730 1.1730 1.3098 1.3098 1.3956 1.3956 1.5203 1.5203 1.5476 1.5476 1.5847 1.5847 4.3175 4.3175 5.7847 5.7847 6.5747 6.5747 6.7238 6.7238 7.0632 7.0632 7.4751 7.4751 10.4010 10.4010 10.9935 10.9935 11.4990 11.4990 11.6037 11.6037 k = 0.0833 0.1443 0.2953 ( 3444 PWs) bands (ev): -32.3854 -32.3854 -13.6683 -13.6683 -13.3108 -13.3108 -13.2655 -13.2655 -2.9694 -2.9694 -2.3717 -2.3717 0.8729 0.8729 0.9080 0.9080 0.9509 0.9509 1.0482 1.0482 1.1680 1.1680 1.3077 1.3077 1.3938 1.3938 1.5226 1.5226 1.5504 1.5504 1.5840 1.5840 4.3151 4.3151 5.9001 5.9001 6.5815 6.5815 6.8032 6.8032 7.1390 7.1390 7.5035 7.5035 10.3501 10.3501 10.9573 10.9573 11.5152 11.5152 11.6690 11.6690 k = 0.0769 0.1332 0.2953 ( 3444 PWs) bands (ev): -32.3856 -32.3856 -13.6676 -13.6676 -13.3104 -13.3104 -13.2639 -13.2639 -2.9906 -2.9906 -2.3913 -2.3913 0.8713 0.8713 0.9082 0.9082 0.9486 0.9486 1.0460 1.0460 1.1632 1.1632 1.3058 1.3058 1.3922 1.3922 1.5243 1.5243 1.5537 1.5537 1.5835 1.5835 4.3119 4.3119 6.0024 6.0024 6.6032 6.6032 6.8832 6.8832 7.2113 7.2113 7.5289 7.5289 10.2914 10.2914 10.9169 10.9169 11.5233 11.5233 11.7390 11.7391 k = 0.0705 0.1221 0.2953 ( 3440 PWs) bands (ev): -32.3857 -32.3857 -13.6670 -13.6670 -13.3099 -13.3099 -13.2623 -13.2623 -3.0102 -3.0102 -2.4097 -2.4097 0.8698 0.8698 0.9085 0.9085 0.9465 0.9465 1.0439 1.0439 1.1587 1.1587 1.3040 1.3040 1.3908 1.3908 1.5257 1.5257 1.5572 1.5572 1.5832 1.5832 4.3080 4.3080 6.0853 6.0853 6.6452 6.6452 6.9629 6.9629 7.2796 7.2796 7.5512 7.5512 10.2251 10.2251 10.8748 10.8748 11.5173 11.5173 11.6749 11.6749 k = 0.0641 0.1110 0.2953 ( 3444 PWs) bands (ev): -32.3859 -32.3859 -13.6664 -13.6664 -13.3096 -13.3096 -13.2609 -13.2609 -3.0283 -3.0283 -2.4267 -2.4267 0.8684 0.8684 0.9089 0.9089 0.9446 0.9446 1.0419 1.0419 1.1546 1.1546 1.3024 1.3024 1.3895 1.3895 1.5267 1.5267 1.5606 1.5606 1.5829 1.5829 4.3036 4.3036 6.1450 6.1450 6.7111 6.7111 7.0416 7.0416 7.3434 7.3434 7.5708 7.5708 10.1514 10.1514 10.8327 10.8327 11.4950 11.4950 11.5847 11.5847 k = 0.0577 0.0999 0.2953 ( 3444 PWs) bands (ev): -32.3861 -32.3861 -13.6659 -13.6659 -13.3092 -13.3092 -13.2596 -13.2596 -3.0448 -3.0448 -2.4423 -2.4423 0.8670 0.8670 0.9094 0.9094 0.9429 0.9429 1.0401 1.0401 1.1507 1.1507 1.3009 1.3009 1.3884 1.3884 1.5275 1.5275 1.5639 1.5639 1.5830 1.5830 4.2991 4.2991 6.1828 6.1828 6.7985 6.7985 7.1184 7.1184 7.4020 7.4020 7.5877 7.5877 10.0709 10.0709 10.7918 10.7918 11.4591 11.4591 11.5012 11.5012 k = 0.0513 0.0888 0.2953 ( 3454 PWs) bands (ev): -32.3862 -32.3862 -13.6655 -13.6655 -13.3090 -13.3090 -13.2584 -13.2584 -3.0596 -3.0596 -2.4563 -2.4563 0.8657 0.8657 0.9100 0.9100 0.9413 0.9413 1.0384 1.0384 1.1473 1.1473 1.2994 1.2994 1.3874 1.3874 1.5281 1.5281 1.5666 1.5666 1.5832 1.5832 4.2945 4.2945 6.2042 6.2042 6.9009 6.9009 7.1926 7.1926 7.4549 7.4549 7.6021 7.6021 9.9848 9.9848 10.7531 10.7531 11.4134 11.4134 11.4269 11.4269 k = 0.0449 0.0777 0.2953 ( 3450 PWs) bands (ev): -32.3863 -32.3863 -13.6650 -13.6650 -13.3087 -13.3087 -13.2572 -13.2572 -3.0728 -3.0728 -2.4689 -2.4689 0.8645 0.8645 0.9106 0.9106 0.9400 0.9400 1.0369 1.0369 1.1442 1.1442 1.2982 1.2982 1.3865 1.3865 1.5287 1.5287 1.5689 1.5689 1.5838 1.5838 4.2902 4.2902 6.2152 6.2152 7.0110 7.0110 7.2631 7.2631 7.5015 7.5015 7.6142 7.6142 9.8947 9.8947 10.7174 10.7174 11.3564 11.3564 11.3690 11.3690 k = 0.0385 0.0666 0.2953 ( 3446 PWs) bands (ev): -32.3864 -32.3864 -13.6647 -13.6647 -13.3085 -13.3085 -13.2563 -13.2563 -3.0843 -3.0843 -2.4799 -2.4799 0.8634 0.8634 0.9112 0.9112 0.9389 0.9389 1.0355 1.0355 1.1415 1.1415 1.2972 1.2972 1.3859 1.3859 1.5291 1.5291 1.5706 1.5706 1.5847 1.5847 4.2861 4.2861 6.2201 6.2201 7.1227 7.1227 7.3292 7.3292 7.5411 7.5411 7.6240 7.6240 9.8030 9.8030 10.6853 10.6853 11.3001 11.3001 11.3198 11.3198 k = 0.0321 0.0555 0.2953 ( 3446 PWs) bands (ev): -32.3865 -32.3865 -13.6644 -13.6644 -13.3083 -13.3083 -13.2554 -13.2554 -3.0940 -3.0940 -2.4892 -2.4892 0.8625 0.8625 0.9118 0.9118 0.9379 0.9379 1.0343 1.0343 1.1392 1.1392 1.2963 1.2963 1.3853 1.3853 1.5294 1.5294 1.5718 1.5718 1.5859 1.5859 4.2824 4.2824 6.2216 6.2216 7.2308 7.2308 7.3898 7.3898 7.5733 7.5733 7.6316 7.6316 9.7130 9.7130 10.6573 10.6573 11.2523 11.2523 11.2743 11.2743 k = 0.0256 0.0444 0.2953 ( 3452 PWs) bands (ev): -32.3866 -32.3866 -13.6641 -13.6641 -13.3081 -13.3081 -13.2547 -13.2547 -3.1020 -3.1020 -2.4969 -2.4969 0.8617 0.8617 0.9123 0.9123 0.9371 0.9371 1.0333 1.0333 1.1373 1.1373 1.2955 1.2955 1.3849 1.3849 1.5297 1.5297 1.5725 1.5725 1.5870 1.5870 4.2792 4.2792 6.2213 6.2213 7.3308 7.3308 7.4439 7.4439 7.5974 7.5974 7.6368 7.6368 9.6287 9.6287 10.6338 10.6338 11.2134 11.2134 11.2346 11.2346 k = 0.0192 0.0333 0.2953 ( 3456 PWs) bands (ev): -32.3867 -32.3867 -13.6639 -13.6639 -13.3080 -13.3080 -13.2542 -13.2542 -3.1082 -3.1082 -2.5029 -2.5029 0.8611 0.8611 0.9127 0.9127 0.9365 0.9365 1.0325 1.0325 1.1359 1.1359 1.2949 1.2949 1.3846 1.3846 1.5299 1.5299 1.5729 1.5729 1.5881 1.5881 4.2767 4.2767 6.2203 6.2203 7.4178 7.4178 7.4908 7.4908 7.6131 7.6131 7.6396 7.6396 9.5547 9.5547 10.6152 10.6152 11.1829 11.1829 11.2024 11.2024 k = 0.0128 0.0222 0.2953 ( 3460 PWs) bands (ev): -32.3867 -32.3867 -13.6638 -13.6638 -13.3079 -13.3079 -13.2538 -13.2538 -3.1127 -3.1127 -2.5073 -2.5073 0.8606 0.8606 0.9130 0.9130 0.9361 0.9361 1.0319 1.0319 1.1348 1.1348 1.2945 1.2945 1.3843 1.3843 1.5300 1.5300 1.5731 1.5731 1.5889 1.5889 4.2749 4.2749 6.2192 6.2192 7.4864 7.4864 7.5300 7.5300 7.6202 7.6202 7.6397 7.6397 9.4965 9.4965 10.6018 10.6018 11.1605 11.1605 11.1792 11.1792 k = 0.0064 0.0111 0.2953 ( 3468 PWs) bands (ev): -32.3867 -32.3867 -13.6638 -13.6638 -13.3079 -13.3079 -13.2536 -13.2536 -3.1154 -3.1154 -2.5099 -2.5099 0.8603 0.8603 0.9132 0.9132 0.9358 0.9358 1.0315 1.0315 1.1342 1.1342 1.2942 1.2942 1.3842 1.3842 1.5301 1.5301 1.5732 1.5732 1.5895 1.5895 4.2737 4.2737 6.2185 6.2185 7.5296 7.5296 7.5619 7.5619 7.6188 7.6188 7.6379 7.6379 9.4589 9.4589 10.5937 10.5937 11.1467 11.1467 11.1654 11.1654 k = 0.0000 0.0000 0.2953 ( 3460 PWs) bands (ev): -32.3867 -32.3867 -13.6637 -13.6637 -13.3079 -13.3079 -13.2535 -13.2535 -3.1163 -3.1163 -2.5107 -2.5107 0.8602 0.8602 0.9133 0.9133 0.9358 0.9358 1.0314 1.0314 1.1340 1.1340 1.2942 1.2942 1.3842 1.3842 1.5301 1.5301 1.5733 1.5733 1.5897 1.5897 4.2733 4.2733 6.2182 6.2182 7.5435 7.5435 7.5783 7.5783 7.6142 7.6142 7.6367 7.6367 9.4459 9.4459 10.5910 10.5910 11.1420 11.1420 11.1608 11.1608 k = 0.5000 0.2887 0.2953 ( 3440 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1481 -2.1481 -1.7420 -1.7420 0.9400 0.9400 0.9813 0.9813 1.0643 1.0643 1.2003 1.2003 1.3055 1.3055 1.3325 1.3325 1.4148 1.4148 1.4897 1.4897 1.6444 1.6444 1.7001 1.7001 2.8181 2.8181 3.2980 3.2980 5.6835 5.6835 5.7882 5.7882 7.1594 7.1594 7.1918 7.1918 9.5947 9.5947 10.2171 10.2171 10.7646 10.7646 10.8655 10.8655 k = 0.5000 0.2887 0.2825 ( 3440 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1479 -2.1479 -1.7424 -1.7424 0.9402 0.9402 0.9813 0.9813 1.0643 1.0643 1.2003 1.2003 1.3056 1.3056 1.3325 1.3325 1.4148 1.4148 1.4896 1.4896 1.6444 1.6444 1.7001 1.7001 2.8173 2.8173 3.3008 3.3008 5.6812 5.6812 5.7888 5.7888 7.1572 7.1572 7.1877 7.1877 9.5916 9.5916 10.2276 10.2276 10.7303 10.7303 10.9064 10.9064 k = 0.5000 0.2887 0.2697 ( 3436 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1475 -2.1475 -1.7433 -1.7433 0.9408 0.9408 0.9814 0.9814 1.0644 1.0644 1.2002 1.2002 1.3057 1.3057 1.3326 1.3326 1.4150 1.4150 1.4895 1.4895 1.6442 1.6442 1.7000 1.7000 2.8150 2.8150 3.3092 3.3092 5.6743 5.6743 5.7905 5.7905 7.1489 7.1489 7.1770 7.1770 9.5827 9.5827 10.2581 10.2581 10.6762 10.6762 10.9806 10.9806 k = 0.5000 0.2887 0.2568 ( 3432 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1467 -2.1467 -1.7449 -1.7449 0.9418 0.9418 0.9816 0.9816 1.0646 1.0646 1.2002 1.2002 1.3059 1.3059 1.3327 1.3327 1.4153 1.4153 1.4894 1.4894 1.6438 1.6438 1.6999 1.6999 2.8114 2.8114 3.3228 3.3228 5.6630 5.6630 5.7934 5.7934 7.1296 7.1296 7.1652 7.1652 9.5697 9.5697 10.3064 10.3064 10.6259 10.6259 11.0643 11.0643 k = 0.5000 0.2887 0.2440 ( 3436 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1456 -2.1456 -1.7471 -1.7471 0.9431 0.9431 0.9817 0.9817 1.0648 1.0648 1.2001 1.2001 1.3062 1.3062 1.3329 1.3329 1.4156 1.4156 1.4891 1.4891 1.6434 1.6434 1.6997 1.6997 2.8068 2.8068 3.3412 3.3412 5.6475 5.6475 5.7973 5.7973 7.0976 7.0976 7.1549 7.1549 9.5541 9.5541 10.3695 10.3695 10.5835 10.5835 11.1536 11.1536 k = 0.5000 0.2887 0.2311 ( 3436 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1443 -2.1443 -1.7499 -1.7499 0.9447 0.9447 0.9820 0.9820 1.0650 1.0650 1.2000 1.2000 1.3066 1.3066 1.3332 1.3332 1.4160 1.4160 1.4888 1.4888 1.6428 1.6428 1.6995 1.6995 2.8016 2.8016 3.3640 3.3640 5.6283 5.6283 5.8023 5.8023 7.0553 7.0553 7.1446 7.1446 9.5370 9.5370 10.4443 10.4443 10.5506 10.5506 11.2470 11.2470 k = 0.5000 0.2887 0.2183 ( 3436 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1427 -2.1427 -1.7532 -1.7532 0.9467 0.9467 0.9823 0.9823 1.0654 1.0654 1.1998 1.1998 1.3071 1.3071 1.3335 1.3335 1.4165 1.4165 1.4884 1.4884 1.6421 1.6421 1.6992 1.6992 2.7962 2.7962 3.3906 3.3906 5.6057 5.6057 5.8083 5.8083 7.0049 7.0049 7.1333 7.1333 9.5190 9.5190 10.5209 10.5209 10.5355 10.5355 11.3433 11.3433 k = 0.5000 0.2887 0.2055 ( 3444 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1408 -2.1408 -1.7571 -1.7571 0.9489 0.9489 0.9825 0.9825 1.0657 1.0657 1.1996 1.1996 1.3076 1.3076 1.3338 1.3338 1.4171 1.4171 1.4879 1.4879 1.6413 1.6413 1.6989 1.6989 2.7908 2.7908 3.4205 3.4205 5.5803 5.5803 5.8153 5.8153 6.9481 6.9481 7.1208 7.1208 9.5003 9.5003 10.5146 10.5146 10.6211 10.6211 11.4418 11.4418 k = 0.5000 0.2887 0.1926 ( 3436 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1387 -2.1387 -1.7613 -1.7613 0.9513 0.9513 0.9829 0.9829 1.0662 1.0662 1.1995 1.1995 1.3083 1.3083 1.3341 1.3341 1.4178 1.4178 1.4874 1.4874 1.6404 1.6404 1.6985 1.6985 2.7858 2.7858 3.4531 3.4531 5.5526 5.5526 5.8230 5.8230 6.8861 6.8861 7.1071 7.1071 9.4809 9.4809 10.5137 10.5137 10.7172 10.7172 11.5416 11.5416 k = 0.5000 0.2887 0.1798 ( 3436 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1364 -2.1364 -1.7658 -1.7658 0.9539 0.9539 0.9833 0.9833 1.0667 1.0667 1.1993 1.1993 1.3090 1.3090 1.3343 1.3343 1.4185 1.4185 1.4868 1.4868 1.6394 1.6394 1.6982 1.6982 2.7812 2.7812 3.4880 3.4880 5.5231 5.5231 5.8315 5.8315 6.8203 6.8203 7.0925 7.0925 9.4608 9.4609 10.5234 10.5234 10.8163 10.8163 11.6421 11.6421 k = 0.5000 0.2887 0.1669 ( 3432 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1339 -2.1339 -1.7707 -1.7707 0.9566 0.9566 0.9837 0.9837 1.0672 1.0672 1.1991 1.1991 1.3098 1.3098 1.3345 1.3345 1.4193 1.4193 1.4861 1.4861 1.6384 1.6384 1.6978 1.6978 2.7774 2.7774 3.5246 3.5246 5.4925 5.4925 5.8406 5.8406 6.7519 6.7519 7.0770 7.0770 9.4402 9.4402 10.5434 10.5434 10.9160 10.9160 11.7430 11.7430 k = 0.5000 0.2887 0.1541 ( 3436 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1313 -2.1313 -1.7757 -1.7757 0.9594 0.9594 0.9840 0.9840 1.0678 1.0678 1.1989 1.1989 1.3107 1.3107 1.3347 1.3347 1.4201 1.4201 1.4853 1.4853 1.6374 1.6374 1.6974 1.6974 2.7742 2.7742 3.5623 3.5623 5.4613 5.4613 5.8501 5.8501 6.6822 6.6822 7.0609 7.0609 9.4193 9.4193 10.5728 10.5728 11.0139 11.0139 11.8440 11.8440 k = 0.5000 0.2887 0.1413 ( 3430 PWs) bands (ev): -32.3798 -32.3798 -13.6941 -13.6941 -13.3395 -13.3395 -13.2921 -13.2921 -2.1286 -2.1286 -1.7809 -1.7809 0.9622 0.9622 0.9844 0.9844 1.0684 1.0684 1.1988 1.1988 1.3118 1.3118 1.3347 1.3347 1.4210 1.4210 1.4845 1.4845 1.6364 1.6364 1.6970 1.6970 2.7718 2.7718 3.6008 3.6008 5.4302 5.4302 5.8600 5.8600 6.6122 6.6122 7.0446 7.0446 9.3983 9.3983 10.6108 10.6108 11.1073 11.1073 11.9454 11.9454 k = 0.5000 0.2887 0.1284 ( 3438 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1259 -2.1259 -1.7861 -1.7861 0.9649 0.9649 0.9847 0.9847 1.0690 1.0690 1.1985 1.1985 1.3128 1.3128 1.3347 1.3347 1.4219 1.4219 1.4836 1.4836 1.6353 1.6353 1.6966 1.6966 2.7701 2.7701 3.6394 3.6394 5.3997 5.3997 5.8700 5.8700 6.5430 6.5430 7.0282 7.0282 9.3778 9.3778 10.6562 10.6562 11.1931 11.1931 12.0480 12.0480 k = 0.5000 0.2887 0.1156 ( 3446 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1231 -2.1231 -1.7912 -1.7912 0.9675 0.9675 0.9850 0.9850 1.0695 1.0695 1.1983 1.1983 1.3139 1.3139 1.3345 1.3345 1.4227 1.4227 1.4827 1.4827 1.6342 1.6342 1.6962 1.6962 2.7690 2.7690 3.6775 3.6775 5.3702 5.3702 5.8800 5.8800 6.4759 6.4759 7.0120 7.0120 9.3580 9.3580 10.7080 10.7080 11.2683 11.2683 12.1528 12.1528 k = 0.5000 0.2887 0.1027 ( 3444 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1204 -2.1204 -1.7961 -1.7961 0.9701 0.9701 0.9853 0.9853 1.0701 1.0701 1.1981 1.1981 1.3152 1.3152 1.3343 1.3343 1.4236 1.4236 1.4818 1.4818 1.6332 1.6332 1.6959 1.6959 2.7685 2.7685 3.7145 3.7145 5.3425 5.3425 5.8897 5.8897 6.4118 6.4118 6.9965 6.9965 9.3393 9.3393 10.7650 10.7650 11.3301 11.3301 12.2609 12.2609 k = 0.5000 0.2887 0.0899 ( 3442 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1178 -2.1178 -1.8008 -1.8008 0.9724 0.9724 0.9856 0.9856 1.0707 1.0707 1.1979 1.1979 1.3164 1.3164 1.3339 1.3339 1.4244 1.4244 1.4809 1.4809 1.6323 1.6323 1.6955 1.6955 2.7684 2.7684 3.7496 3.7496 5.3168 5.3168 5.8990 5.8990 6.3518 6.3518 6.9818 6.9818 9.3221 9.3221 10.8260 10.8260 11.3762 11.3762 12.3733 12.3733 k = 0.5000 0.2887 0.0770 ( 3444 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1154 -2.1154 -1.8051 -1.8051 0.9746 0.9746 0.9858 0.9858 1.0713 1.0713 1.1977 1.1977 1.3177 1.3177 1.3334 1.3334 1.4252 1.4252 1.4800 1.4800 1.6314 1.6314 1.6952 1.6952 2.7687 2.7687 3.7823 3.7823 5.2936 5.2936 5.9076 5.9076 6.2970 6.2970 6.9683 6.9683 9.3067 9.3067 10.8898 10.8898 11.4056 11.4056 12.4903 12.4903 k = 0.5000 0.2887 0.0642 ( 3442 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1132 -2.1132 -1.8089 -1.8089 0.9765 0.9765 0.9859 0.9859 1.0718 1.0718 1.1976 1.1976 1.3190 1.3190 1.3328 1.3328 1.4259 1.4259 1.4791 1.4791 1.6307 1.6307 1.6950 1.6950 2.7692 2.7692 3.8116 3.8116 5.2734 5.2734 5.9154 5.9154 6.2485 6.2485 6.9563 6.9563 9.2933 9.2933 10.9554 10.9554 11.4183 11.4183 12.6111 12.6111 k = 0.5000 0.2887 0.0514 ( 3444 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1113 -2.1113 -1.8122 -1.8122 0.9781 0.9781 0.9860 0.9860 1.0722 1.0722 1.1974 1.1974 1.3203 1.3203 1.3321 1.3321 1.4266 1.4266 1.4784 1.4784 1.6300 1.6300 1.6948 1.6948 2.7698 2.7698 3.8370 3.8370 5.2564 5.2564 5.9220 5.9220 6.2071 6.2071 6.9460 6.9460 9.2821 9.2821 11.0214 11.0214 11.4152 11.4152 12.7338 12.7338 k = 0.5000 0.2887 0.0385 ( 3454 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1098 -2.1098 -1.8148 -1.8148 0.9794 0.9794 0.9860 0.9860 1.0726 1.0726 1.1973 1.1973 1.3214 1.3214 1.3313 1.3313 1.4271 1.4271 1.4777 1.4777 1.6295 1.6295 1.6946 1.6946 2.7704 2.7704 3.8576 3.8576 5.2429 5.2429 5.9274 5.9274 6.1738 6.1738 6.9378 6.9378 9.2732 9.2732 11.0863 11.0863 11.3982 11.3982 12.8545 12.8545 k = 0.5000 0.2887 0.0257 ( 3456 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1087 -2.1087 -1.8168 -1.8168 0.9804 0.9804 0.9859 0.9859 1.0728 1.0728 1.1972 1.1972 1.3225 1.3225 1.3306 1.3306 1.4275 1.4275 1.4773 1.4773 1.6291 1.6291 1.6945 1.6945 2.7708 2.7708 3.8728 3.8728 5.2331 5.2331 5.9314 5.9314 6.1494 6.1494 6.9317 6.9317 9.2668 9.2668 11.1483 11.1483 11.3698 11.3698 12.9657 12.9657 k = 0.5000 0.2887 0.0128 ( 3456 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1080 -2.1080 -1.8179 -1.8179 0.9811 0.9811 0.9859 0.9859 1.0730 1.0730 1.1971 1.1971 1.3233 1.3233 1.3300 1.3300 1.4277 1.4277 1.4770 1.4770 1.6289 1.6289 1.6944 1.6944 2.7712 2.7712 3.8821 3.8821 5.2272 5.2272 5.9339 5.9339 6.1345 6.1345 6.9280 6.9280 9.2629 9.2629 11.2033 11.2033 11.3347 11.3347 13.0519 13.0519 k = 0.5000 0.2887-0.0000 ( 3454 PWs) bands (ev): -32.3798 -32.3798 -13.6942 -13.6942 -13.3396 -13.3396 -13.2921 -13.2921 -2.1078 -2.1078 -1.8183 -1.8183 0.9813 0.9813 0.9859 0.9859 1.0731 1.0731 1.1971 1.1971 1.3236 1.3236 1.3298 1.3298 1.4278 1.4278 1.4769 1.4769 1.6288 1.6288 1.6944 1.6944 2.7713 2.7713 3.8853 3.8853 5.2252 5.2252 5.9347 5.9347 6.1295 6.1295 6.9268 6.9268 9.2616 9.2616 11.2331 11.2331 11.3115 11.3115 13.0864 13.0865 k = 0.3333 0.5774-0.0000 ( 3450 PWs) bands (ev): -32.3789 -32.3789 -13.6956 -13.6956 -13.3267 -13.3267 -13.3165 -13.3165 -1.8514 -1.8514 -1.8430 -1.8430 1.0008 1.0008 1.0193 1.0193 1.0306 1.0306 1.2248 1.2248 1.3054 1.3054 1.4048 1.4048 1.4103 1.4103 1.4918 1.4918 1.6699 1.6699 1.8221 1.8221 3.4086 3.4086 3.4349 3.4349 3.9881 3.9881 5.8837 5.8837 5.8874 5.8874 6.0680 6.0680 11.2856 11.2856 11.5870 11.5870 11.5915 11.5915 12.1821 12.1822 k = 0.3333 0.5774 0.0128 ( 3438 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3267 -13.3267 -13.3165 -13.3165 -1.8514 -1.8514 -1.8429 -1.8429 1.0008 1.0008 1.0193 1.0193 1.0307 1.0307 1.2248 1.2248 1.3054 1.3054 1.4048 1.4048 1.4103 1.4103 1.4918 1.4918 1.6699 1.6699 1.8221 1.8221 3.4075 3.4075 3.4338 3.4338 3.9894 3.9894 5.8865 5.8865 5.8901 5.8901 6.0654 6.0654 11.2899 11.2899 11.5780 11.5780 11.5825 11.5825 12.1896 12.1897 k = 0.3333 0.5774 0.0257 ( 3432 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8513 -1.8513 -1.8428 -1.8428 1.0008 1.0008 1.0192 1.0192 1.0308 1.0308 1.2246 1.2246 1.3053 1.3053 1.4046 1.4046 1.4102 1.4102 1.4918 1.4918 1.6699 1.6699 1.8222 1.8222 3.4044 3.4044 3.4306 3.4306 3.9933 3.9933 5.8946 5.8946 5.8981 5.8981 6.0578 6.0578 11.3028 11.3028 11.5523 11.5523 11.5568 11.5568 12.2107 12.2107 k = 0.3333 0.5774 0.0385 ( 3432 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3267 -13.3267 -13.3165 -13.3165 -1.8511 -1.8511 -1.8426 -1.8426 1.0007 1.0007 1.0191 1.0191 1.0308 1.0308 1.2243 1.2243 1.3051 1.3051 1.4044 1.4044 1.4100 1.4100 1.4917 1.4917 1.6698 1.6698 1.8223 1.8223 3.3993 3.3993 3.4253 3.4253 3.9998 3.9998 5.9081 5.9081 5.9114 5.9114 6.0451 6.0451 11.3242 11.3242 11.5128 11.5128 11.5173 11.5173 12.2425 12.2425 k = 0.3333 0.5774 0.0514 ( 3426 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8508 -1.8508 -1.8423 -1.8423 1.0007 1.0007 1.0190 1.0190 1.0310 1.0310 1.2239 1.2239 1.3048 1.3048 1.4040 1.4040 1.4097 1.4097 1.4916 1.4916 1.6697 1.6697 1.8225 1.8225 3.3923 3.3923 3.4182 3.4182 4.0088 4.0088 5.9265 5.9265 5.9296 5.9296 6.0277 6.0277 11.3538 11.3538 11.4631 11.4631 11.4675 11.4675 12.2815 12.2816 k = 0.3333 0.5774 0.0642 ( 3429 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8504 -1.8504 -1.8420 -1.8420 1.0005 1.0005 1.0187 1.0187 1.0311 1.0311 1.2234 1.2234 1.3045 1.3045 1.4035 1.4035 1.4093 1.4093 1.4915 1.4915 1.6696 1.6696 1.8227 1.8227 3.3837 3.3837 3.4094 3.4094 4.0203 4.0203 5.9495 5.9495 5.9525 5.9525 6.0060 6.0060 11.3909 11.3909 11.4059 11.4059 11.4104 11.4104 12.3252 12.3252 k = 0.3333 0.5774 0.0770 ( 3435 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8500 -1.8500 -1.8416 -1.8416 1.0004 1.0004 1.0184 1.0184 1.0313 1.0313 1.2227 1.2227 1.3040 1.3040 1.4029 1.4029 1.4088 1.4088 1.4914 1.4914 1.6694 1.6694 1.8229 1.8229 3.3737 3.3737 3.3990 3.3990 4.0342 4.0342 5.9723 5.9723 5.9796 5.9796 5.9847 5.9847 11.3434 11.3434 11.3472 11.3472 11.4361 11.4361 12.3714 12.3720 k = 0.3333 0.5774 0.0899 ( 3441 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3267 -13.3267 -13.3165 -13.3165 -1.8496 -1.8496 -1.8411 -1.8411 1.0002 1.0002 1.0181 1.0181 1.0315 1.0315 1.2219 1.2219 1.3035 1.3035 1.4023 1.4023 1.4083 1.4083 1.4912 1.4912 1.6693 1.6693 1.8231 1.8231 3.3624 3.3624 3.3875 3.3875 4.0502 4.0502 5.9487 5.9487 6.0099 6.0099 6.0106 6.0106 11.2772 11.2772 11.2808 11.2808 11.4876 11.4876 12.4185 12.4188 k = 0.3333 0.5774 0.1027 ( 3435 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8490 -1.8490 -1.8406 -1.8406 1.0001 1.0001 1.0178 1.0178 1.0317 1.0317 1.2211 1.2211 1.3030 1.3030 1.4016 1.4016 1.4077 1.4077 1.4910 1.4910 1.6691 1.6691 1.8234 1.8234 3.3502 3.3502 3.3750 3.3750 4.0684 4.0684 5.9158 5.9158 6.0443 6.0443 6.0448 6.0448 11.2087 11.2087 11.2118 11.2118 11.5454 11.5454 12.4658 12.4660 k = 0.3333 0.5774 0.1156 ( 3441 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8485 -1.8485 -1.8401 -1.8401 0.9999 0.9999 1.0174 1.0174 1.0319 1.0319 1.2203 1.2203 1.3023 1.3023 1.4009 1.4009 1.4071 1.4071 1.4908 1.4908 1.6689 1.6689 1.8237 1.8237 3.3374 3.3374 3.3619 3.3619 4.0885 4.0885 5.8800 5.8800 6.0817 6.0817 6.0817 6.0817 11.1388 11.1388 11.1414 11.1414 11.6087 11.6087 12.5123 12.5128 k = 0.3333 0.5774 0.1284 ( 3435 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8479 -1.8479 -1.8395 -1.8395 0.9997 0.9997 1.0170 1.0170 1.0322 1.0322 1.2194 1.2194 1.3017 1.3017 1.4001 1.4001 1.4065 1.4065 1.4906 1.4906 1.6687 1.6687 1.8240 1.8240 3.3242 3.3242 3.3483 3.3483 4.1103 4.1103 5.8419 5.8419 6.1207 6.1207 6.1213 6.1213 11.0684 11.0684 11.0706 11.0706 11.6767 11.6767 12.5575 12.5581 k = 0.3333 0.5774 0.1413 ( 3435 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8473 -1.8473 -1.8390 -1.8390 0.9996 0.9996 1.0166 1.0166 1.0325 1.0325 1.2184 1.2184 1.3011 1.3011 1.3993 1.3993 1.4059 1.4059 1.4904 1.4904 1.6686 1.6686 1.8243 1.8243 3.3108 3.3108 3.3347 3.3347 4.1335 4.1335 5.8020 5.8020 6.1611 6.1611 6.1623 6.1623 10.9984 10.9984 11.0000 11.0000 11.7483 11.7483 12.6009 12.6009 k = 0.3333 0.5774 0.1541 ( 3441 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3166 -13.3166 -1.8467 -1.8467 -1.8384 -1.8384 0.9993 0.9993 1.0162 1.0162 1.0328 1.0328 1.2175 1.2175 1.3004 1.3004 1.3984 1.3984 1.4052 1.4052 1.4902 1.4902 1.6684 1.6684 1.8246 1.8246 3.2976 3.2976 3.3211 3.3211 4.1579 4.1579 5.7611 5.7611 6.2023 6.2023 6.2041 6.2041 10.9295 10.9295 10.9306 10.9306 11.8226 11.8226 12.6420 12.6426 k = 0.3333 0.5774 0.1669 ( 3441 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3166 -13.3166 -1.8461 -1.8461 -1.8378 -1.8378 0.9992 0.9992 1.0158 1.0158 1.0331 1.0331 1.2165 1.2165 1.2997 1.2997 1.3976 1.3976 1.4046 1.4046 1.4900 1.4900 1.6682 1.6682 1.8250 1.8250 3.2847 3.2847 3.3080 3.3080 4.1832 4.1832 5.7198 5.7198 6.2434 6.2434 6.2459 6.2459 10.8627 10.8627 10.8633 10.8633 11.8983 11.8983 12.6804 12.6811 k = 0.3333 0.5774 0.1798 ( 3447 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3166 -13.3166 -1.8455 -1.8455 -1.8372 -1.8372 0.9990 0.9990 1.0154 1.0154 1.0333 1.0333 1.2156 1.2156 1.2991 1.2991 1.3968 1.3968 1.4040 1.4040 1.4898 1.4898 1.6680 1.6680 1.8253 1.8253 3.2724 3.2724 3.2955 3.2955 4.2088 4.2088 5.6788 5.6788 6.2838 6.2838 6.2869 6.2869 10.7988 10.7988 10.7988 10.7988 11.9741 11.9741 12.7087 12.7087 k = 0.3333 0.5774 0.1926 ( 3447 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3166 -13.3166 -1.8450 -1.8450 -1.8367 -1.8367 0.9988 0.9988 1.0150 1.0150 1.0335 1.0335 1.2147 1.2147 1.2984 1.2984 1.3961 1.3961 1.4035 1.4035 1.4896 1.4896 1.6679 1.6679 1.8256 1.8256 3.2609 3.2609 3.2837 3.2837 4.2344 4.2344 5.6387 5.6387 6.3228 6.3228 6.3264 6.3264 10.7380 10.7380 10.7385 10.7385 12.0482 12.0482 12.7257 12.7257 k = 0.3333 0.5774 0.2055 ( 3441 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8444 -1.8444 -1.8362 -1.8362 0.9986 0.9986 1.0147 1.0147 1.0338 1.0338 1.2138 1.2138 1.2979 1.2979 1.3955 1.3955 1.4030 1.4030 1.4894 1.4894 1.6677 1.6677 1.8258 1.8258 3.2504 3.2504 3.2729 3.2729 4.2595 4.2595 5.6003 5.6003 6.3594 6.3594 6.3637 6.3637 10.6818 10.6818 10.6828 10.6828 12.1189 12.1189 12.7443 12.7443 k = 0.3333 0.5774 0.2183 ( 3438 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3165 -13.3165 -1.8440 -1.8440 -1.8357 -1.8357 0.9985 0.9985 1.0143 1.0143 1.0340 1.0340 1.2131 1.2131 1.2973 1.2973 1.3948 1.3948 1.4026 1.4026 1.4892 1.4892 1.6676 1.6676 1.8261 1.8261 3.2409 3.2409 3.2633 3.2633 4.2833 4.2833 5.5645 5.5645 6.3931 6.3931 6.3978 6.3978 10.6309 10.6309 10.6324 10.6324 12.1841 12.1841 12.7646 12.7646 k = 0.3333 0.5774 0.2311 ( 3447 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3166 -13.3166 -1.8436 -1.8436 -1.8354 -1.8354 0.9983 0.9983 1.0140 1.0140 1.0342 1.0342 1.2124 1.2124 1.2968 1.2968 1.3942 1.3942 1.4021 1.4021 1.4891 1.4891 1.6675 1.6675 1.8263 1.8263 3.2327 3.2327 3.2549 3.2549 4.3053 4.3053 5.5321 5.5321 6.4230 6.4230 6.4282 6.4282 10.5863 10.5863 10.5882 10.5882 12.2419 12.2419 12.7862 12.7862 k = 0.3333 0.5774 0.2440 ( 3453 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3166 -13.3166 -1.8432 -1.8432 -1.8350 -1.8350 0.9982 0.9982 1.0137 1.0137 1.0344 1.0344 1.2118 1.2118 1.2964 1.2964 1.3937 1.3937 1.4017 1.4017 1.4890 1.4890 1.6674 1.6674 1.8265 1.8265 3.2258 3.2258 3.2479 3.2479 4.3247 4.3247 5.5040 5.5040 6.4485 6.4485 6.4541 6.4541 10.5486 10.5486 10.5509 10.5509 12.2906 12.2906 12.8084 12.8085 k = 0.3333 0.5774 0.2568 ( 3447 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3266 -13.3266 -13.3166 -13.3166 -1.8429 -1.8429 -1.8347 -1.8347 0.9981 0.9981 1.0136 1.0136 1.0345 1.0345 1.2114 1.2114 1.2961 1.2961 1.3934 1.3934 1.4015 1.4015 1.4889 1.4889 1.6674 1.6674 1.8267 1.8267 3.2204 3.2204 3.2424 3.2424 4.3409 4.3409 5.4809 5.4809 6.4691 6.4691 6.4750 6.4750 10.5186 10.5186 10.5211 10.5211 12.3290 12.3290 12.8296 12.8296 k = 0.3333 0.5774 0.2697 ( 3423 PWs) bands (ev): -32.3789 -32.3789 -13.6955 -13.6955 -13.3265 -13.3265 -13.3165 -13.3165 -1.8427 -1.8427 -1.8345 -1.8345 0.9981 0.9981 1.0135 1.0135 1.0347 1.0347 1.2112 1.2112 1.2959 1.2959 1.3932 1.3932 1.4014 1.4014 1.4889 1.4889 1.6674 1.6674 1.8268 1.8268 3.2164 3.2164 3.2384 3.2384 4.3530 4.3530 5.4638 5.4638 6.4841 6.4841 6.4903 6.4903 10.4967 10.4967 10.4995 10.4995 12.3566 12.3566 12.8474 12.8474 k = 0.3333 0.5774 0.2825 ( 3417 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3265 -13.3265 -13.3165 -13.3165 -1.8426 -1.8426 -1.8344 -1.8344 0.9981 0.9981 1.0134 1.0134 1.0348 1.0348 1.2110 1.2110 1.2958 1.2958 1.3930 1.3930 1.4013 1.4013 1.4888 1.4888 1.6674 1.6674 1.8269 1.8269 3.2141 3.2141 3.2360 3.2360 4.3605 4.3605 5.4533 5.4533 6.4933 6.4933 6.4996 6.4996 10.4834 10.4834 10.4863 10.4863 12.3730 12.3730 12.8594 12.8594 k = 0.3333 0.5774 0.2953 ( 3408 PWs) bands (ev): -32.3789 -32.3789 -13.6954 -13.6954 -13.3265 -13.3265 -13.3165 -13.3165 -1.8425 -1.8425 -1.8344 -1.8344 0.9981 0.9981 1.0134 1.0134 1.0348 1.0348 1.2110 1.2110 1.2958 1.2958 1.3930 1.3930 1.4013 1.4013 1.4888 1.4888 1.6674 1.6674 1.8270 1.8270 3.2133 3.2133 3.2351 3.2351 4.3630 4.3630 5.4497 5.4497 6.4964 6.4964 6.5028 6.5028 10.4789 10.4789 10.4819 10.4819 12.3784 12.3784 12.8636 12.8636 Writing output data file CaxZnPx2.save init_run : 0.38s CPU 0.79s WALL ( 1 calls) electrons : 205.41s CPU 210.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 205.41s CPU 210.06s 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 : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 324 calls) cegterg : 193.84s CPU 196.70s WALL ( 807 calls) Called by sum_band: Called by *egterg: h_psi : 88.38s CPU 90.97s WALL ( 14213 calls) s_psi : 8.50s CPU 8.61s WALL ( 14213 calls) g_psi : 0.35s CPU 0.26s WALL ( 13082 calls) cdiaghg : 85.79s CPU 86.27s WALL ( 13406 calls) cegterg:over : 6.92s CPU 6.87s WALL ( 13082 calls) cegterg:upda : 6.02s CPU 6.26s WALL ( 13082 calls) cegterg:last : 3.23s CPU 3.23s WALL ( 1766 calls) cdiaghg:chol : 4.71s CPU 4.76s WALL ( 13406 calls) cdiaghg:inve : 3.03s CPU 3.11s WALL ( 13406 calls) cdiaghg:para : 4.79s CPU 5.02s WALL ( 26812 calls) Called by h_psi: h_psi:vloc : 69.81s CPU 71.97s WALL ( 14213 calls) h_psi:vnl : 18.31s CPU 18.72s WALL ( 14213 calls) add_vuspsi : 9.78s CPU 9.92s WALL ( 14213 calls) General routines calbec : 8.50s CPU 8.77s WALL ( 14213 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 65.16s CPU 67.35s WALL ( 1052540 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.23s WALL ( 648 calls) Parallel routines fft_scatter : 25.36s CPU 25.91s WALL ( 1052563 calls) PWSCF : 3m41.19s CPU 4m 9.40s WALL This run was terminated on: 16:32:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=