Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:36:19 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: ./GeTe7As4.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 17 14 4 1965 1522 246 Max 18 15 5 1991 1553 269 Sum 613 511 163 71189 55137 9129 bravais-lattice index = 14 lattice parameter (alat) = 7.6893 a.u. unit-cell volume = 2255.5102 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 32.0000 Ry charge density cutoff = 152.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.689295 celldm(2)= 1.000000 celldm(3)= 5.728680 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 5.728680 ) 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 0.174560 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Ge 4.00 72.64000 Ge( 1.00) As 5.00 74.92160 As( 1.00) Te 6.00 127.60000 Te( 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= 276 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0036232 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0036232 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0036232 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0036232 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0036232 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0036232 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0036232 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0036232 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0036232 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0036232 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0036232 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0036232 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0036232 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0036232 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0036232 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0036232 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0036232 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0036232 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0036232 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0036232 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0036232 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0036232 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0036232 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0036232 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0036232 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0036232 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0036232 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0036232 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0036232 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0036232 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0036232 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0036232 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0036232 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0036232 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0036232 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0036232 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0036232 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0036232 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0036232 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0036232 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0036232 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0036232 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0036232 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0036232 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0036232 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0036232 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0036232 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0036232 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0036232 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0036232 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0036232 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0036232 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0036232 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0036232 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0036232 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0036232 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0036232 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0036232 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0036232 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0036232 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0036232 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0036232 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0036232 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0036232 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0036232 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0036232 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0036232 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0036232 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0036232 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0036232 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0036232 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0036232 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0036232 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0036232 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0036232 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0036232 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0036232 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0036232 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0036232 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0036232 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0036232 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0036232 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0036232 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0036232 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0036232 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0036232 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0036232 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0036232 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0036232 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0036232 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0036232 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0036232 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0036232 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0036232 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0036232 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0036232 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0036232 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0036232 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0036232 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0036232 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0036232 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0036232 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0036232 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0036232 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0036232 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0036232 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0036232 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0036232 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0036232 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0036232 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0036232 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0036232 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0036232 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0036232 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0036232 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0036232 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0036232 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0036232 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0036232 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 128) = ( 0.0000000 0.0000000 0.0124686), wk = 0.0036232 k( 129) = ( 0.0000000 0.0000000 0.0249372), wk = 0.0036232 k( 130) = ( 0.0000000 0.0000000 0.0374058), wk = 0.0036232 k( 131) = ( 0.0000000 0.0000000 0.0498744), wk = 0.0036232 k( 132) = ( 0.0000000 0.0000000 0.0623430), wk = 0.0036232 k( 133) = ( 0.0000000 0.0000000 0.0748115), wk = 0.0036232 k( 134) = ( 0.0000000 0.0000000 0.0872801), wk = 0.0036232 k( 135) = ( 0.0000000 0.0000000 0.0872801), wk = 0.0036232 k( 136) = ( 0.0111111 0.0064150 0.0872801), wk = 0.0036232 k( 137) = ( 0.0222222 0.0128300 0.0872801), wk = 0.0036232 k( 138) = ( 0.0333333 0.0192450 0.0872801), wk = 0.0036232 k( 139) = ( 0.0444444 0.0256600 0.0872801), wk = 0.0036232 k( 140) = ( 0.0555556 0.0320750 0.0872801), wk = 0.0036232 k( 141) = ( 0.0666667 0.0384900 0.0872801), wk = 0.0036232 k( 142) = ( 0.0777778 0.0449050 0.0872801), wk = 0.0036232 k( 143) = ( 0.0888889 0.0513200 0.0872801), wk = 0.0036232 k( 144) = ( 0.1000000 0.0577350 0.0872801), wk = 0.0036232 k( 145) = ( 0.1111111 0.0641500 0.0872801), wk = 0.0036232 k( 146) = ( 0.1222222 0.0705650 0.0872801), wk = 0.0036232 k( 147) = ( 0.1333333 0.0769800 0.0872801), wk = 0.0036232 k( 148) = ( 0.1444444 0.0833950 0.0872801), wk = 0.0036232 k( 149) = ( 0.1555556 0.0898100 0.0872801), wk = 0.0036232 k( 150) = ( 0.1666667 0.0962250 0.0872801), wk = 0.0036232 k( 151) = ( 0.1777778 0.1026400 0.0872801), wk = 0.0036232 k( 152) = ( 0.1888889 0.1090551 0.0872801), wk = 0.0036232 k( 153) = ( 0.2000000 0.1154701 0.0872801), wk = 0.0036232 k( 154) = ( 0.2111111 0.1218851 0.0872801), wk = 0.0036232 k( 155) = ( 0.2222222 0.1283001 0.0872801), wk = 0.0036232 k( 156) = ( 0.2333333 0.1347151 0.0872801), wk = 0.0036232 k( 157) = ( 0.2444444 0.1411301 0.0872801), wk = 0.0036232 k( 158) = ( 0.2555556 0.1475451 0.0872801), wk = 0.0036232 k( 159) = ( 0.2666667 0.1539601 0.0872801), wk = 0.0036232 k( 160) = ( 0.2777778 0.1603751 0.0872801), wk = 0.0036232 k( 161) = ( 0.2888889 0.1667901 0.0872801), wk = 0.0036232 k( 162) = ( 0.3000000 0.1732051 0.0872801), wk = 0.0036232 k( 163) = ( 0.3111111 0.1796201 0.0872801), wk = 0.0036232 k( 164) = ( 0.3222222 0.1860351 0.0872801), wk = 0.0036232 k( 165) = ( 0.3333333 0.1924501 0.0872801), wk = 0.0036232 k( 166) = ( 0.3444444 0.1988651 0.0872801), wk = 0.0036232 k( 167) = ( 0.3555556 0.2052801 0.0872801), wk = 0.0036232 k( 168) = ( 0.3666667 0.2116951 0.0872801), wk = 0.0036232 k( 169) = ( 0.3777778 0.2181101 0.0872801), wk = 0.0036232 k( 170) = ( 0.3888889 0.2245251 0.0872801), wk = 0.0036232 k( 171) = ( 0.4000000 0.2309401 0.0872801), wk = 0.0036232 k( 172) = ( 0.4111111 0.2373551 0.0872801), wk = 0.0036232 k( 173) = ( 0.4222222 0.2437701 0.0872801), wk = 0.0036232 k( 174) = ( 0.4333333 0.2501851 0.0872801), wk = 0.0036232 k( 175) = ( 0.4444444 0.2566001 0.0872801), wk = 0.0036232 k( 176) = ( 0.4555556 0.2630151 0.0872801), wk = 0.0036232 k( 177) = ( 0.4666667 0.2694301 0.0872801), wk = 0.0036232 k( 178) = ( 0.4777778 0.2758451 0.0872801), wk = 0.0036232 k( 179) = ( 0.4888889 0.2822601 0.0872801), wk = 0.0036232 k( 180) = ( 0.5000000 0.2886751 0.0872801), wk = 0.0036232 k( 181) = ( 0.5000000 0.2886751 0.0872801), wk = 0.0036232 k( 182) = ( 0.4935897 0.2997780 0.0872801), wk = 0.0036232 k( 183) = ( 0.4871795 0.3108809 0.0872801), wk = 0.0036232 k( 184) = ( 0.4807692 0.3219838 0.0872801), wk = 0.0036232 k( 185) = ( 0.4743590 0.3330867 0.0872801), wk = 0.0036232 k( 186) = ( 0.4679487 0.3441896 0.0872801), wk = 0.0036232 k( 187) = ( 0.4615385 0.3552925 0.0872801), wk = 0.0036232 k( 188) = ( 0.4551282 0.3663954 0.0872801), wk = 0.0036232 k( 189) = ( 0.4487179 0.3774983 0.0872801), wk = 0.0036232 k( 190) = ( 0.4423077 0.3886011 0.0872801), wk = 0.0036232 k( 191) = ( 0.4358974 0.3997040 0.0872801), wk = 0.0036232 k( 192) = ( 0.4294872 0.4108069 0.0872801), wk = 0.0036232 k( 193) = ( 0.4230769 0.4219098 0.0872801), wk = 0.0036232 k( 194) = ( 0.4166667 0.4330127 0.0872801), wk = 0.0036232 k( 195) = ( 0.4102564 0.4441156 0.0872801), wk = 0.0036232 k( 196) = ( 0.4038462 0.4552185 0.0872801), wk = 0.0036232 k( 197) = ( 0.3974359 0.4663214 0.0872801), wk = 0.0036232 k( 198) = ( 0.3910256 0.4774243 0.0872801), wk = 0.0036232 k( 199) = ( 0.3846154 0.4885271 0.0872801), wk = 0.0036232 k( 200) = ( 0.3782051 0.4996300 0.0872801), wk = 0.0036232 k( 201) = ( 0.3717949 0.5107329 0.0872801), wk = 0.0036232 k( 202) = ( 0.3653846 0.5218358 0.0872801), wk = 0.0036232 k( 203) = ( 0.3589744 0.5329387 0.0872801), wk = 0.0036232 k( 204) = ( 0.3525641 0.5440416 0.0872801), wk = 0.0036232 k( 205) = ( 0.3461538 0.5551445 0.0872801), wk = 0.0036232 k( 206) = ( 0.3397436 0.5662474 0.0872801), wk = 0.0036232 k( 207) = ( 0.3333333 0.5773503 0.0872801), wk = 0.0036232 k( 208) = ( 0.3333333 0.5773503 0.0872801), wk = 0.0036232 k( 209) = ( 0.3269231 0.5662474 0.0872801), wk = 0.0036232 k( 210) = ( 0.3205128 0.5551445 0.0872801), wk = 0.0036232 k( 211) = ( 0.3141026 0.5440416 0.0872801), wk = 0.0036232 k( 212) = ( 0.3076923 0.5329387 0.0872801), wk = 0.0036232 k( 213) = ( 0.3012821 0.5218358 0.0872801), wk = 0.0036232 k( 214) = ( 0.2948718 0.5107329 0.0872801), wk = 0.0036232 k( 215) = ( 0.2884615 0.4996300 0.0872801), wk = 0.0036232 k( 216) = ( 0.2820513 0.4885271 0.0872801), wk = 0.0036232 k( 217) = ( 0.2756410 0.4774243 0.0872801), wk = 0.0036232 k( 218) = ( 0.2692308 0.4663214 0.0872801), wk = 0.0036232 k( 219) = ( 0.2628205 0.4552185 0.0872801), wk = 0.0036232 k( 220) = ( 0.2564103 0.4441156 0.0872801), wk = 0.0036232 k( 221) = ( 0.2500000 0.4330127 0.0872801), wk = 0.0036232 k( 222) = ( 0.2435897 0.4219098 0.0872801), wk = 0.0036232 k( 223) = ( 0.2371795 0.4108069 0.0872801), wk = 0.0036232 k( 224) = ( 0.2307692 0.3997040 0.0872801), wk = 0.0036232 k( 225) = ( 0.2243590 0.3886011 0.0872801), wk = 0.0036232 k( 226) = ( 0.2179487 0.3774983 0.0872801), wk = 0.0036232 k( 227) = ( 0.2115385 0.3663954 0.0872801), wk = 0.0036232 k( 228) = ( 0.2051282 0.3552925 0.0872801), wk = 0.0036232 k( 229) = ( 0.1987180 0.3441896 0.0872801), wk = 0.0036232 k( 230) = ( 0.1923077 0.3330867 0.0872801), wk = 0.0036232 k( 231) = ( 0.1858974 0.3219838 0.0872801), wk = 0.0036232 k( 232) = ( 0.1794872 0.3108809 0.0872801), wk = 0.0036232 k( 233) = ( 0.1730769 0.2997780 0.0872801), wk = 0.0036232 k( 234) = ( 0.1666667 0.2886751 0.0872801), wk = 0.0036232 k( 235) = ( 0.1602564 0.2775722 0.0872801), wk = 0.0036232 k( 236) = ( 0.1538461 0.2664693 0.0872801), wk = 0.0036232 k( 237) = ( 0.1474359 0.2553665 0.0872801), wk = 0.0036232 k( 238) = ( 0.1410256 0.2442636 0.0872801), wk = 0.0036232 k( 239) = ( 0.1346154 0.2331607 0.0872801), wk = 0.0036232 k( 240) = ( 0.1282051 0.2220578 0.0872801), wk = 0.0036232 k( 241) = ( 0.1217949 0.2109549 0.0872801), wk = 0.0036232 k( 242) = ( 0.1153846 0.1998520 0.0872801), wk = 0.0036232 k( 243) = ( 0.1089744 0.1887491 0.0872801), wk = 0.0036232 k( 244) = ( 0.1025641 0.1776462 0.0872801), wk = 0.0036232 k( 245) = ( 0.0961538 0.1665434 0.0872801), wk = 0.0036232 k( 246) = ( 0.0897436 0.1554405 0.0872801), wk = 0.0036232 k( 247) = ( 0.0833333 0.1443376 0.0872801), wk = 0.0036232 k( 248) = ( 0.0769231 0.1332347 0.0872801), wk = 0.0036232 k( 249) = ( 0.0705128 0.1221318 0.0872801), wk = 0.0036232 k( 250) = ( 0.0641026 0.1110289 0.0872801), wk = 0.0036232 k( 251) = ( 0.0576923 0.0999260 0.0872801), wk = 0.0036232 k( 252) = ( 0.0512821 0.0888231 0.0872801), wk = 0.0036232 k( 253) = ( 0.0448718 0.0777202 0.0872801), wk = 0.0036232 k( 254) = ( 0.0384615 0.0666173 0.0872801), wk = 0.0036232 k( 255) = ( 0.0320513 0.0555144 0.0872801), wk = 0.0036232 k( 256) = ( 0.0256410 0.0444116 0.0872801), wk = 0.0036232 k( 257) = ( 0.0192308 0.0333087 0.0872801), wk = 0.0036232 k( 258) = ( 0.0128205 0.0222058 0.0872801), wk = 0.0036232 k( 259) = ( 0.0064103 0.0111029 0.0872801), wk = 0.0036232 k( 260) = ( 0.0000000 0.0000000 0.0872801), wk = 0.0036232 k( 261) = ( 0.5000000 0.2886751 0.0872801), wk = 0.0036232 k( 262) = ( 0.5000000 0.2886751 0.0748115), wk = 0.0036232 k( 263) = ( 0.5000000 0.2886751 0.0623430), wk = 0.0036232 k( 264) = ( 0.5000000 0.2886751 0.0498744), wk = 0.0036232 k( 265) = ( 0.5000000 0.2886751 0.0374058), wk = 0.0036232 k( 266) = ( 0.5000000 0.2886751 0.0249372), wk = 0.0036232 k( 267) = ( 0.5000000 0.2886751 0.0124686), wk = 0.0036232 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 270) = ( 0.3333333 0.5773503 0.0124686), wk = 0.0036232 k( 271) = ( 0.3333333 0.5773503 0.0249372), wk = 0.0036232 k( 272) = ( 0.3333333 0.5773503 0.0374058), wk = 0.0036232 k( 273) = ( 0.3333333 0.5773503 0.0498744), wk = 0.0036232 k( 274) = ( 0.3333333 0.5773503 0.0623430), wk = 0.0036232 k( 275) = ( 0.3333333 0.5773503 0.0748115), wk = 0.0036232 k( 276) = ( 0.3333333 0.5773503 0.0872801), wk = 0.0036232 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0036232 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0036232 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0036232 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0036232 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0036232 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0036232 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0036232 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0036232 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0036232 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0036232 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0036232 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0036232 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0036232 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0036232 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0036232 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0036232 k( 18) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0036232 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0036232 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0036232 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0036232 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0036232 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0036232 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0036232 k( 25) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0036232 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0036232 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0036232 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0036232 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0036232 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0036232 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0036232 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0036232 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0036232 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0036232 k( 35) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0036232 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0036232 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0036232 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0036232 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0036232 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0036232 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0036232 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0036232 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0036232 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0036232 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0036232 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036232 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036232 k( 48) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0036232 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0036232 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0036232 k( 51) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0036232 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0036232 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0036232 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0036232 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0036232 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0036232 k( 57) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0036232 k( 58) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0036232 k( 59) = ( 0.4230769 0.1538462 -0.0000000), wk = 0.0036232 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0036232 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0036232 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0036232 k( 63) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0036232 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0036232 k( 65) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0036232 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0036232 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0036232 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0036232 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0036232 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0036232 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0036232 k( 72) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0036232 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036232 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036232 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0036232 k( 76) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0036232 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0036232 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0036232 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0036232 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0036232 k( 81) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0036232 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0036232 k( 83) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0036232 k( 84) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0036232 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0036232 k( 86) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0036232 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036232 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0036232 k( 89) = ( 0.2371795 0.2371795 -0.0000000), wk = 0.0036232 k( 90) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0036232 k( 91) = ( 0.2243590 0.2243590 0.0000000), wk = 0.0036232 k( 92) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0036232 k( 93) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0036232 k( 94) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0036232 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0036232 k( 96) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0036232 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0036232 k( 98) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0036232 k( 99) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0036232 k( 100) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0036232 k( 101) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0036232 k( 102) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0036232 k( 103) = ( 0.1474359 0.1474359 -0.0000000), wk = 0.0036232 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0036232 k( 105) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0036232 k( 106) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0036232 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0036232 k( 108) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0036232 k( 109) = ( 0.1089744 0.1089744 -0.0000000), wk = 0.0036232 k( 110) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0036232 k( 111) = ( 0.0961538 0.0961539 0.0000000), wk = 0.0036232 k( 112) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0036232 k( 113) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0036232 k( 114) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0036232 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0036232 k( 116) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0036232 k( 117) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0036232 k( 118) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0036232 k( 119) = ( 0.0448718 0.0448718 0.0000000), wk = 0.0036232 k( 120) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0036232 k( 121) = ( 0.0320513 0.0320513 0.0000000), wk = 0.0036232 k( 122) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0036232 k( 123) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0036232 k( 124) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0036232 k( 125) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 128) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0036232 k( 129) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0036232 k( 130) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0036232 k( 131) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0036232 k( 132) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0036232 k( 133) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0036232 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 136) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0036232 k( 137) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0036232 k( 138) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0036232 k( 139) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0036232 k( 140) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0036232 k( 141) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0036232 k( 142) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0036232 k( 143) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0036232 k( 144) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0036232 k( 145) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0036232 k( 146) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0036232 k( 147) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0036232 k( 148) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0036232 k( 149) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0036232 k( 150) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0036232 k( 151) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0036232 k( 152) = ( 0.1888889 -0.0000000 0.5000000), wk = 0.0036232 k( 153) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0036232 k( 154) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0036232 k( 155) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0036232 k( 156) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0036232 k( 157) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0036232 k( 158) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0036232 k( 159) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0036232 k( 160) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0036232 k( 161) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0036232 k( 162) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0036232 k( 163) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0036232 k( 164) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0036232 k( 165) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0036232 k( 166) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0036232 k( 167) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0036232 k( 168) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0036232 k( 169) = ( 0.3777778 -0.0000000 0.5000000), wk = 0.0036232 k( 170) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0036232 k( 171) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0036232 k( 172) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0036232 k( 173) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0036232 k( 174) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0036232 k( 175) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0036232 k( 176) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0036232 k( 177) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0036232 k( 178) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0036232 k( 179) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0036232 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 k( 182) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0036232 k( 183) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0036232 k( 184) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0036232 k( 185) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0036232 k( 186) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0036232 k( 187) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0036232 k( 188) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0036232 k( 189) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0036232 k( 190) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0036232 k( 191) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0036232 k( 192) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0036232 k( 193) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0036232 k( 194) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0036232 k( 195) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0036232 k( 196) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0036232 k( 197) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0036232 k( 198) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0036232 k( 199) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0036232 k( 200) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0036232 k( 201) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0036232 k( 202) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0036232 k( 203) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0036232 k( 204) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0036232 k( 205) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0036232 k( 206) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0036232 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 k( 208) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 k( 209) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0036232 k( 210) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0036232 k( 211) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0036232 k( 212) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0036232 k( 213) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0036232 k( 214) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0036232 k( 215) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0036232 k( 216) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0036232 k( 217) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0036232 k( 218) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0036232 k( 219) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0036232 k( 220) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0036232 k( 221) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0036232 k( 222) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0036232 k( 223) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0036232 k( 224) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0036232 k( 225) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0036232 k( 226) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0036232 k( 227) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0036232 k( 228) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0036232 k( 229) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0036232 k( 230) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0036232 k( 231) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0036232 k( 232) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0036232 k( 233) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0036232 k( 234) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0036232 k( 235) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0036232 k( 236) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0036232 k( 237) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0036232 k( 238) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0036232 k( 239) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0036232 k( 240) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0036232 k( 241) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0036232 k( 242) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0036232 k( 243) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0036232 k( 244) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0036232 k( 245) = ( 0.0961538 0.0961539 0.5000000), wk = 0.0036232 k( 246) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0036232 k( 247) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0036232 k( 248) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0036232 k( 249) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0036232 k( 250) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0036232 k( 251) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0036232 k( 252) = ( 0.0512821 0.0512820 0.5000000), wk = 0.0036232 k( 253) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0036232 k( 254) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0036232 k( 255) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0036232 k( 256) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0036232 k( 257) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0036232 k( 258) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0036232 k( 259) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0036232 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 261) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 k( 262) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0036232 k( 263) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0036232 k( 264) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0036232 k( 265) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0036232 k( 266) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0036232 k( 267) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0036232 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036232 k( 269) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036232 k( 270) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0036232 k( 271) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0036232 k( 272) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0036232 k( 273) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0036232 k( 274) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0036232 k( 275) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0036232 k( 276) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 Dense grid: 71189 G-vectors FFT dimensions: ( 32, 32, 180) Smooth grid: 55137 G-vectors FFT dimensions: ( 27, 27, 160) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 372, 80) NL pseudopotentials 0.87 Mb ( 186, 308) Each V/rho on FFT grid 0.08 Mb ( 5120) Each G-vector array 0.02 Mb ( 1967) G-vector shells 0.01 Mb ( 916) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.82 Mb ( 372, 320) Each subspace H/S matrix 0.10 Mb ( 80, 80) Each matrix 0.75 Mb ( 308, 2, 80) The potential is recalculated from file : ./GeTe7As4.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 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 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 11.0 secs Computing kpt #: 7 total cpu time spent up to now is 12.3 secs Computing kpt #: 8 total cpu time spent up to now is 13.6 secs Computing kpt #: 9 total cpu time spent up to now is 14.9 secs Computing kpt #: 10 total cpu time spent up to now is 16.1 secs Computing kpt #: 11 total cpu time spent up to now is 17.4 secs Computing kpt #: 12 total cpu time spent up to now is 18.7 secs Computing kpt #: 13 total cpu time spent up to now is 20.1 secs Computing kpt #: 14 total cpu time spent up to now is 21.5 secs Computing kpt #: 15 total cpu time spent up to now is 22.9 secs Computing kpt #: 16 total cpu time spent up to now is 24.3 secs Computing kpt #: 17 total cpu time spent up to now is 25.7 secs Computing kpt #: 18 total cpu time spent up to now is 27.1 secs Computing kpt #: 19 total cpu time spent up to now is 28.5 secs Computing kpt #: 20 total cpu time spent up to now is 29.9 secs Computing kpt #: 21 total cpu time spent up to now is 31.2 secs Computing kpt #: 22 total cpu time spent up to now is 32.6 secs Computing kpt #: 23 total cpu time spent up to now is 34.0 secs Computing kpt #: 24 total cpu time spent up to now is 35.3 secs Computing kpt #: 25 total cpu time spent up to now is 36.8 secs Computing kpt #: 26 total cpu time spent up to now is 38.1 secs Computing kpt #: 27 total cpu time spent up to now is 39.8 secs Computing kpt #: 28 total cpu time spent up to now is 41.4 secs Computing kpt #: 29 total cpu time spent up to now is 43.0 secs Computing kpt #: 30 total cpu time spent up to now is 44.8 secs Computing kpt #: 31 total cpu time spent up to now is 46.8 secs Computing kpt #: 32 total cpu time spent up to now is 49.0 secs Computing kpt #: 33 total cpu time spent up to now is 51.2 secs Computing kpt #: 34 total cpu time spent up to now is 53.7 secs Computing kpt #: 35 total cpu time spent up to now is 56.3 secs Computing kpt #: 36 total cpu time spent up to now is 58.9 secs Computing kpt #: 37 total cpu time spent up to now is 61.6 secs Computing kpt #: 38 total cpu time spent up to now is 64.2 secs Computing kpt #: 39 total cpu time spent up to now is 66.0 secs Computing kpt #: 40 total cpu time spent up to now is 67.6 secs Computing kpt #: 41 total cpu time spent up to now is 69.1 secs Computing kpt #: 42 total cpu time spent up to now is 70.5 secs Computing kpt #: 43 total cpu time spent up to now is 71.8 secs Computing kpt #: 44 total cpu time spent up to now is 73.1 secs Computing kpt #: 45 total cpu time spent up to now is 74.4 secs Computing kpt #: 46 total cpu time spent up to now is 75.7 secs Computing kpt #: 47 total cpu time spent up to now is 77.0 secs Computing kpt #: 48 total cpu time spent up to now is 78.1 secs Computing kpt #: 49 total cpu time spent up to now is 79.4 secs Computing kpt #: 50 total cpu time spent up to now is 80.9 secs Computing kpt #: 51 total cpu time spent up to now is 82.4 secs Computing kpt #: 52 total cpu time spent up to now is 84.1 secs Computing kpt #: 53 total cpu time spent up to now is 85.7 secs Computing kpt #: 54 total cpu time spent up to now is 87.2 secs Computing kpt #: 55 total cpu time spent up to now is 88.7 secs Computing kpt #: 56 total cpu time spent up to now is 90.0 secs Computing kpt #: 57 total cpu time spent up to now is 91.4 secs Computing kpt #: 58 total cpu time spent up to now is 92.8 secs Computing kpt #: 59 total cpu time spent up to now is 94.2 secs Computing kpt #: 60 total cpu time spent up to now is 95.5 secs Computing kpt #: 61 total cpu time spent up to now is 96.8 secs Computing kpt #: 62 total cpu time spent up to now is 98.1 secs Computing kpt #: 63 total cpu time spent up to now is 99.4 secs Computing kpt #: 64 total cpu time spent up to now is 100.7 secs Computing kpt #: 65 total cpu time spent up to now is 101.9 secs Computing kpt #: 66 total cpu time spent up to now is 103.1 secs Computing kpt #: 67 total cpu time spent up to now is 104.3 secs Computing kpt #: 68 total cpu time spent up to now is 105.5 secs Computing kpt #: 69 total cpu time spent up to now is 106.8 secs Computing kpt #: 70 total cpu time spent up to now is 108.1 secs Computing kpt #: 71 total cpu time spent up to now is 109.4 secs Computing kpt #: 72 total cpu time spent up to now is 110.8 secs Computing kpt #: 73 total cpu time spent up to now is 112.2 secs Computing kpt #: 74 total cpu time spent up to now is 113.6 secs Computing kpt #: 75 total cpu time spent up to now is 114.9 secs Computing kpt #: 76 total cpu time spent up to now is 116.1 secs Computing kpt #: 77 total cpu time spent up to now is 117.3 secs Computing kpt #: 78 total cpu time spent up to now is 118.5 secs Computing kpt #: 79 total cpu time spent up to now is 119.7 secs Computing kpt #: 80 total cpu time spent up to now is 120.9 secs Computing kpt #: 81 total cpu time spent up to now is 122.1 secs Computing kpt #: 82 total cpu time spent up to now is 123.4 secs Computing kpt #: 83 total cpu time spent up to now is 125.5 secs Computing kpt #: 84 total cpu time spent up to now is 127.3 secs Computing kpt #: 85 total cpu time spent up to now is 129.1 secs Computing kpt #: 86 total cpu time spent up to now is 130.8 secs Computing kpt #: 87 total cpu time spent up to now is 132.3 secs Computing kpt #: 88 total cpu time spent up to now is 133.5 secs Computing kpt #: 89 total cpu time spent up to now is 134.8 secs Computing kpt #: 90 total cpu time spent up to now is 135.9 secs Computing kpt #: 91 total cpu time spent up to now is 136.9 secs Computing kpt #: 92 total cpu time spent up to now is 138.0 secs Computing kpt #: 93 total cpu time spent up to now is 139.1 secs Computing kpt #: 94 total cpu time spent up to now is 140.2 secs Computing kpt #: 95 total cpu time spent up to now is 141.4 secs Computing kpt #: 96 total cpu time spent up to now is 142.5 secs Computing kpt #: 97 total cpu time spent up to now is 143.7 secs Computing kpt #: 98 total cpu time spent up to now is 145.1 secs Computing kpt #: 99 total cpu time spent up to now is 146.6 secs Computing kpt #: 100 total cpu time spent up to now is 148.4 secs Computing kpt #: 101 total cpu time spent up to now is 149.9 secs Computing kpt #: 102 total cpu time spent up to now is 151.4 secs Computing kpt #: 103 total cpu time spent up to now is 152.9 secs Computing kpt #: 104 total cpu time spent up to now is 154.5 secs Computing kpt #: 105 total cpu time spent up to now is 156.0 secs Computing kpt #: 106 total cpu time spent up to now is 157.7 secs Computing kpt #: 107 total cpu time spent up to now is 159.2 secs Computing kpt #: 108 total cpu time spent up to now is 160.6 secs Computing kpt #: 109 total cpu time spent up to now is 161.9 secs Computing kpt #: 110 total cpu time spent up to now is 163.2 secs Computing kpt #: 111 total cpu time spent up to now is 164.6 secs Computing kpt #: 112 total cpu time spent up to now is 166.0 secs Computing kpt #: 113 total cpu time spent up to now is 167.3 secs Computing kpt #: 114 total cpu time spent up to now is 168.8 secs Computing kpt #: 115 total cpu time spent up to now is 170.1 secs Computing kpt #: 116 total cpu time spent up to now is 171.3 secs Computing kpt #: 117 total cpu time spent up to now is 172.6 secs Computing kpt #: 118 total cpu time spent up to now is 173.8 secs Computing kpt #: 119 total cpu time spent up to now is 175.1 secs Computing kpt #: 120 total cpu time spent up to now is 176.3 secs Computing kpt #: 121 total cpu time spent up to now is 177.8 secs Computing kpt #: 122 total cpu time spent up to now is 179.5 secs Computing kpt #: 123 total cpu time spent up to now is 181.2 secs Computing kpt #: 124 total cpu time spent up to now is 182.5 secs Computing kpt #: 125 total cpu time spent up to now is 184.0 secs Computing kpt #: 126 total cpu time spent up to now is 185.4 secs Computing kpt #: 127 total cpu time spent up to now is 186.9 secs Computing kpt #: 128 total cpu time spent up to now is 188.3 secs Computing kpt #: 129 total cpu time spent up to now is 189.7 secs Computing kpt #: 130 total cpu time spent up to now is 191.1 secs Computing kpt #: 131 total cpu time spent up to now is 192.6 secs Computing kpt #: 132 total cpu time spent up to now is 194.0 secs Computing kpt #: 133 total cpu time spent up to now is 195.5 secs Computing kpt #: 134 total cpu time spent up to now is 197.0 secs Computing kpt #: 135 total cpu time spent up to now is 198.5 secs Computing kpt #: 136 total cpu time spent up to now is 200.2 secs Computing kpt #: 137 total cpu time spent up to now is 201.6 secs Computing kpt #: 138 total cpu time spent up to now is 203.1 secs Computing kpt #: 139 total cpu time spent up to now is 204.4 secs Computing kpt #: 140 total cpu time spent up to now is 205.9 secs Computing kpt #: 141 total cpu time spent up to now is 207.3 secs Computing kpt #: 142 total cpu time spent up to now is 208.7 secs Computing kpt #: 143 total cpu time spent up to now is 210.0 secs Computing kpt #: 144 total cpu time spent up to now is 211.6 secs Computing kpt #: 145 total cpu time spent up to now is 212.9 secs Computing kpt #: 146 total cpu time spent up to now is 214.3 secs Computing kpt #: 147 total cpu time spent up to now is 215.7 secs Computing kpt #: 148 total cpu time spent up to now is 217.1 secs Computing kpt #: 149 total cpu time spent up to now is 218.6 secs Computing kpt #: 150 total cpu time spent up to now is 220.1 secs Computing kpt #: 151 total cpu time spent up to now is 221.5 secs Computing kpt #: 152 total cpu time spent up to now is 222.8 secs Computing kpt #: 153 total cpu time spent up to now is 224.2 secs Computing kpt #: 154 total cpu time spent up to now is 225.6 secs Computing kpt #: 155 total cpu time spent up to now is 226.9 secs Computing kpt #: 156 total cpu time spent up to now is 228.3 secs Computing kpt #: 157 total cpu time spent up to now is 229.7 secs Computing kpt #: 158 total cpu time spent up to now is 231.1 secs Computing kpt #: 159 total cpu time spent up to now is 232.5 secs Computing kpt #: 160 total cpu time spent up to now is 234.0 secs Computing kpt #: 161 total cpu time spent up to now is 235.4 secs Computing kpt #: 162 total cpu time spent up to now is 236.9 secs Computing kpt #: 163 total cpu time spent up to now is 238.6 secs Computing kpt #: 164 total cpu time spent up to now is 240.1 secs Computing kpt #: 165 total cpu time spent up to now is 241.9 secs Computing kpt #: 166 total cpu time spent up to now is 243.5 secs Computing kpt #: 167 total cpu time spent up to now is 245.0 secs Computing kpt #: 168 total cpu time spent up to now is 246.6 secs Computing kpt #: 169 total cpu time spent up to now is 248.1 secs Computing kpt #: 170 total cpu time spent up to now is 249.7 secs Computing kpt #: 171 total cpu time spent up to now is 251.3 secs Computing kpt #: 172 total cpu time spent up to now is 252.9 secs Computing kpt #: 173 total cpu time spent up to now is 254.5 secs Computing kpt #: 174 total cpu time spent up to now is 256.1 secs Computing kpt #: 175 total cpu time spent up to now is 257.8 secs Computing kpt #: 176 total cpu time spent up to now is 259.6 secs Computing kpt #: 177 total cpu time spent up to now is 261.2 secs Computing kpt #: 178 total cpu time spent up to now is 263.1 secs Computing kpt #: 179 total cpu time spent up to now is 264.6 secs Computing kpt #: 180 total cpu time spent up to now is 266.0 secs Computing kpt #: 181 total cpu time spent up to now is 267.5 secs Computing kpt #: 182 total cpu time spent up to now is 269.0 secs Computing kpt #: 183 total cpu time spent up to now is 270.4 secs Computing kpt #: 184 total cpu time spent up to now is 271.8 secs Computing kpt #: 185 total cpu time spent up to now is 273.2 secs Computing kpt #: 186 total cpu time spent up to now is 274.6 secs Computing kpt #: 187 total cpu time spent up to now is 276.1 secs Computing kpt #: 188 total cpu time spent up to now is 277.6 secs Computing kpt #: 189 total cpu time spent up to now is 279.1 secs Computing kpt #: 190 total cpu time spent up to now is 280.7 secs Computing kpt #: 191 total cpu time spent up to now is 282.2 secs Computing kpt #: 192 total cpu time spent up to now is 283.7 secs Computing kpt #: 193 total cpu time spent up to now is 285.2 secs Computing kpt #: 194 total cpu time spent up to now is 286.7 secs Computing kpt #: 195 total cpu time spent up to now is 287.9 secs Computing kpt #: 196 total cpu time spent up to now is 289.3 secs Computing kpt #: 197 total cpu time spent up to now is 290.6 secs Computing kpt #: 198 total cpu time spent up to now is 292.0 secs Computing kpt #: 199 total cpu time spent up to now is 293.3 secs Computing kpt #: 200 total cpu time spent up to now is 294.6 secs Computing kpt #: 201 total cpu time spent up to now is 295.8 secs Computing kpt #: 202 total cpu time spent up to now is 297.1 secs Computing kpt #: 203 total cpu time spent up to now is 298.3 secs Computing kpt #: 204 total cpu time spent up to now is 299.5 secs Computing kpt #: 205 total cpu time spent up to now is 300.9 secs Computing kpt #: 206 total cpu time spent up to now is 302.3 secs Computing kpt #: 207 total cpu time spent up to now is 303.7 secs Computing kpt #: 208 total cpu time spent up to now is 305.0 secs Computing kpt #: 209 total cpu time spent up to now is 306.3 secs Computing kpt #: 210 total cpu time spent up to now is 307.5 secs Computing kpt #: 211 total cpu time spent up to now is 308.7 secs Computing kpt #: 212 total cpu time spent up to now is 309.9 secs Computing kpt #: 213 total cpu time spent up to now is 311.0 secs Computing kpt #: 214 total cpu time spent up to now is 312.2 secs Computing kpt #: 215 total cpu time spent up to now is 313.3 secs Computing kpt #: 216 total cpu time spent up to now is 314.4 secs Computing kpt #: 217 total cpu time spent up to now is 315.5 secs Computing kpt #: 218 total cpu time spent up to now is 316.7 secs Computing kpt #: 219 total cpu time spent up to now is 317.8 secs Computing kpt #: 220 total cpu time spent up to now is 318.9 secs Computing kpt #: 221 total cpu time spent up to now is 320.0 secs Computing kpt #: 222 total cpu time spent up to now is 321.0 secs Computing kpt #: 223 total cpu time spent up to now is 322.3 secs Computing kpt #: 224 total cpu time spent up to now is 323.4 secs Computing kpt #: 225 total cpu time spent up to now is 324.6 secs Computing kpt #: 226 total cpu time spent up to now is 326.3 secs Computing kpt #: 227 total cpu time spent up to now is 328.3 secs Computing kpt #: 228 total cpu time spent up to now is 330.3 secs Computing kpt #: 229 total cpu time spent up to now is 332.6 secs Computing kpt #: 230 total cpu time spent up to now is 334.3 secs Computing kpt #: 231 total cpu time spent up to now is 336.0 secs Computing kpt #: 232 total cpu time spent up to now is 337.4 secs Computing kpt #: 233 total cpu time spent up to now is 338.7 secs Computing kpt #: 234 total cpu time spent up to now is 340.1 secs Computing kpt #: 235 total cpu time spent up to now is 341.4 secs Computing kpt #: 236 total cpu time spent up to now is 342.7 secs Computing kpt #: 237 total cpu time spent up to now is 344.0 secs Computing kpt #: 238 total cpu time spent up to now is 345.2 secs Computing kpt #: 239 total cpu time spent up to now is 346.6 secs Computing kpt #: 240 total cpu time spent up to now is 347.9 secs Computing kpt #: 241 total cpu time spent up to now is 349.3 secs Computing kpt #: 242 total cpu time spent up to now is 350.7 secs Computing kpt #: 243 total cpu time spent up to now is 352.1 secs Computing kpt #: 244 total cpu time spent up to now is 353.5 secs Computing kpt #: 245 total cpu time spent up to now is 354.9 secs Computing kpt #: 246 total cpu time spent up to now is 356.3 secs Computing kpt #: 247 total cpu time spent up to now is 357.7 secs Computing kpt #: 248 total cpu time spent up to now is 359.1 secs Computing kpt #: 249 total cpu time spent up to now is 360.3 secs Computing kpt #: 250 total cpu time spent up to now is 361.6 secs Computing kpt #: 251 total cpu time spent up to now is 362.9 secs Computing kpt #: 252 total cpu time spent up to now is 364.1 secs Computing kpt #: 253 total cpu time spent up to now is 365.4 secs Computing kpt #: 254 total cpu time spent up to now is 366.8 secs Computing kpt #: 255 total cpu time spent up to now is 368.2 secs Computing kpt #: 256 total cpu time spent up to now is 369.7 secs Computing kpt #: 257 total cpu time spent up to now is 371.1 secs Computing kpt #: 258 total cpu time spent up to now is 372.5 secs Computing kpt #: 259 total cpu time spent up to now is 374.0 secs Computing kpt #: 260 total cpu time spent up to now is 375.4 secs Computing kpt #: 261 total cpu time spent up to now is 376.9 secs Computing kpt #: 262 total cpu time spent up to now is 378.4 secs Computing kpt #: 263 total cpu time spent up to now is 380.2 secs Computing kpt #: 264 total cpu time spent up to now is 381.9 secs Computing kpt #: 265 total cpu time spent up to now is 383.4 secs Computing kpt #: 266 total cpu time spent up to now is 384.8 secs Computing kpt #: 267 total cpu time spent up to now is 386.1 secs Computing kpt #: 268 total cpu time spent up to now is 387.4 secs Computing kpt #: 269 total cpu time spent up to now is 388.8 secs Computing kpt #: 270 total cpu time spent up to now is 390.2 secs Computing kpt #: 271 total cpu time spent up to now is 391.7 secs Computing kpt #: 272 total cpu time spent up to now is 393.1 secs Computing kpt #: 273 total cpu time spent up to now is 394.5 secs Computing kpt #: 274 total cpu time spent up to now is 395.7 secs Computing kpt #: 275 total cpu time spent up to now is 397.0 secs Computing kpt #: 276 total cpu time spent up to now is 398.4 secs ethr = 1.52E-08, avg # of iterations = 28.7 total cpu time spent up to now is 398.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6775 PWs) bands (ev): -7.4407 -7.4407 -7.3666 -7.3666 -7.2036 -7.2036 -7.0401 -7.0401 -5.7591 -5.7591 -4.6427 -4.6427 -4.5616 -4.5616 -2.5607 -2.5607 -2.5030 -2.5030 -1.5809 -1.5809 -1.0206 -1.0206 0.5014 0.5014 3.5256 3.5256 3.8215 3.8215 4.0377 4.0377 4.1121 4.1121 4.1849 4.1849 4.4314 4.4314 4.4332 4.4332 4.4704 4.4704 4.4711 4.4711 4.5689 4.5689 4.5864 4.5864 4.7770 4.7770 5.5230 5.5230 5.5807 5.5807 5.9074 5.9074 5.9732 5.9732 6.0390 6.0390 6.3726 6.3726 6.5259 6.5259 6.6213 6.6213 6.6995 6.6995 6.7155 6.7155 7.1317 7.1317 7.1447 7.1447 7.4854 7.4854 7.4885 7.4885 7.5365 7.5365 7.6071 7.6071 k = 0.0111 0.0064-0.0000 ( 6780 PWs) bands (ev): -7.4394 -7.4394 -7.3653 -7.3653 -7.2024 -7.2024 -7.0389 -7.0389 -5.7579 -5.7579 -4.6419 -4.6419 -4.5608 -4.5608 -2.5609 -2.5609 -2.5030 -2.5030 -1.5822 -1.5822 -1.0224 -1.0224 0.4994 0.4994 3.5243 3.5243 3.8080 3.8080 4.0252 4.0252 4.0932 4.0932 4.1833 4.1833 4.3848 4.3848 4.4173 4.4173 4.4705 4.4705 4.4997 4.4997 4.5617 4.5617 4.5911 4.5911 4.8284 4.8284 5.4847 5.4847 5.6034 5.6034 5.8898 5.8898 5.9670 5.9670 6.0730 6.0730 6.3579 6.3579 6.4766 6.4766 6.6551 6.6551 6.6951 6.6951 6.7401 6.7401 7.1289 7.1289 7.1491 7.1491 7.4673 7.4673 7.5165 7.5165 7.5270 7.5270 7.6212 7.6212 k = 0.0222 0.0128-0.0000 ( 6802 PWs) bands (ev): -7.4357 -7.4357 -7.3616 -7.3616 -7.1987 -7.1987 -7.0353 -7.0353 -5.7544 -5.7544 -4.6394 -4.6394 -4.5583 -4.5583 -2.5613 -2.5613 -2.5032 -2.5032 -1.5860 -1.5860 -1.0276 -1.0276 0.4935 0.4935 3.5201 3.5201 3.7692 3.7692 3.9880 3.9880 4.0411 4.0411 4.1752 4.1752 4.3305 4.3305 4.3841 4.3841 4.4529 4.4529 4.4642 4.4642 4.5942 4.5942 4.6426 4.6426 4.9252 4.9252 5.4241 5.4241 5.6194 5.6194 5.8622 5.8622 5.9490 5.9490 6.1475 6.1475 6.3199 6.3199 6.4088 6.4088 6.6507 6.6507 6.7011 6.7011 6.8164 6.8164 7.1227 7.1227 7.1601 7.1601 7.4592 7.4592 7.5035 7.5035 7.5689 7.5689 7.6442 7.6442 k = 0.0333 0.0192-0.0000 ( 6818 PWs) bands (ev): -7.4294 -7.4294 -7.3554 -7.3554 -7.1926 -7.1926 -7.0293 -7.0293 -5.7486 -5.7486 -4.6351 -4.6351 -4.5540 -4.5540 -2.5619 -2.5619 -2.5035 -2.5035 -1.5923 -1.5923 -1.0364 -1.0364 0.4836 0.4836 3.5116 3.5116 3.7098 3.7098 3.9273 3.9273 3.9649 3.9649 4.1580 4.1580 4.2811 4.2811 4.3504 4.3504 4.3981 4.3981 4.4407 4.4407 4.6421 4.6421 4.7034 4.7034 5.0240 5.0240 5.3706 5.3706 5.6096 5.6096 5.8376 5.8376 5.9238 5.9238 6.2366 6.2366 6.2725 6.2725 6.3558 6.3558 6.6141 6.6141 6.7053 6.7053 6.9090 6.9090 7.1138 7.1138 7.1798 7.1798 7.4402 7.4402 7.5189 7.5189 7.6217 7.6217 7.6641 7.6641 k = 0.0444 0.0257-0.0000 ( 6816 PWs) bands (ev): -7.4207 -7.4207 -7.3468 -7.3468 -7.1840 -7.1840 -7.0209 -7.0209 -5.7404 -5.7404 -4.6292 -4.6292 -4.5482 -4.5482 -2.5630 -2.5630 -2.5040 -2.5040 -1.6012 -1.6012 -1.0488 -1.0488 0.4699 0.4699 3.4954 3.4954 3.6356 3.6356 3.8412 3.8412 3.8823 3.8823 4.1320 4.1320 4.2344 4.2344 4.3155 4.3155 4.3519 4.3519 4.4118 4.4118 4.6767 4.6767 4.7620 4.7620 5.1038 5.1038 5.3416 5.3416 5.5788 5.5788 5.8071 5.8071 5.9003 5.9003 6.2224 6.2224 6.3040 6.3040 6.3525 6.3525 6.5628 6.5628 6.7029 6.7029 6.9915 6.9915 7.1023 7.1023 7.2149 7.2149 7.4126 7.4126 7.5621 7.5621 7.6502 7.6502 7.7099 7.7099 k = 0.0556 0.0321-0.0000 ( 6818 PWs) bands (ev): -7.4094 -7.4094 -7.3357 -7.3357 -7.1729 -7.1729 -7.0101 -7.0101 -5.7299 -5.7299 -4.6217 -4.6217 -4.5406 -4.5406 -2.5644 -2.5644 -2.5047 -2.5047 -1.6128 -1.6128 -1.0648 -1.0648 0.4524 0.4524 3.4640 3.4640 3.5528 3.5528 3.7381 3.7381 3.8039 3.8039 4.0980 4.0980 4.1885 4.1885 4.2760 4.2760 4.3146 4.3146 4.3774 4.3774 4.6877 4.6877 4.8155 4.8155 5.1461 5.1461 5.3465 5.3465 5.5395 5.5395 5.7691 5.7691 5.8814 5.8814 6.1885 6.1885 6.2862 6.2862 6.4264 6.4264 6.5205 6.5205 6.6947 6.6947 7.0465 7.0465 7.0936 7.0936 7.2642 7.2642 7.3918 7.3918 7.6091 7.6091 7.6636 7.6636 7.7861 7.7861 k = 0.0667 0.0385-0.0000 ( 6822 PWs) bands (ev): -7.3957 -7.3957 -7.3222 -7.3222 -7.1595 -7.1595 -6.9969 -6.9969 -5.7171 -5.7171 -4.6125 -4.6125 -4.5315 -4.5315 -2.5663 -2.5663 -2.5058 -2.5058 -1.6271 -1.6271 -1.0845 -1.0845 0.4312 0.4312 3.4057 3.4057 3.4658 3.4658 3.6363 3.6363 3.7318 3.7318 4.0564 4.0564 4.1418 4.1418 4.2308 4.2308 4.2802 4.2802 4.3403 4.3403 4.6710 4.6710 4.8646 4.8646 5.1519 5.1519 5.3533 5.3533 5.5125 5.5125 5.7328 5.7328 5.8689 5.8689 6.1706 6.1706 6.2713 6.2713 6.4012 6.4012 6.5703 6.5703 6.6860 6.6860 7.0454 7.0454 7.1159 7.1159 7.2950 7.2950 7.4084 7.4084 7.6325 7.6325 7.7085 7.7085 7.8283 7.8283 k = 0.0778 0.0449-0.0000 ( 6816 PWs) bands (ev): -7.3795 -7.3795 -7.3062 -7.3062 -7.1435 -7.1435 -6.9814 -6.9814 -5.7020 -5.7020 -4.6017 -4.6017 -4.5207 -4.5207 -2.5689 -2.5689 -2.5073 -2.5073 -1.6443 -1.6443 -1.1081 -1.1081 0.4064 0.4064 3.3201 3.3201 3.3682 3.3682 3.5443 3.5443 3.6729 3.6729 4.0077 4.0077 4.0938 4.0938 4.1794 4.1794 4.2450 4.2450 4.3030 4.3030 4.6324 4.6324 4.9094 4.9094 5.1301 5.1301 5.3183 5.3183 5.5144 5.5144 5.7000 5.7000 5.8755 5.8755 6.1614 6.1614 6.2644 6.2644 6.3404 6.3404 6.6098 6.6098 6.7094 6.7094 7.0181 7.0181 7.1468 7.1468 7.3001 7.3001 7.4634 7.4634 7.6581 7.6581 7.7538 7.7538 7.8352 7.8352 k = 0.0889 0.0513-0.0000 ( 6820 PWs) bands (ev): -7.3608 -7.3608 -7.2878 -7.2878 -7.1252 -7.1252 -6.9634 -6.9634 -5.6847 -5.6847 -4.5893 -4.5893 -4.5084 -4.5084 -2.5722 -2.5722 -2.5093 -2.5093 -1.6644 -1.6644 -1.1355 -1.1355 0.3782 0.3782 3.2195 3.2195 3.2561 3.2561 3.4568 3.4568 3.6288 3.6288 3.9526 3.9526 4.0443 4.0443 4.1226 4.1226 4.2079 4.2079 4.2667 4.2667 4.5807 4.5807 4.9479 4.9479 5.0835 5.0835 5.2521 5.2521 5.5215 5.5215 5.6692 5.6692 5.9066 5.9066 6.1476 6.1476 6.2658 6.2658 6.2923 6.2923 6.5916 6.5916 6.7538 6.7538 7.0029 7.0029 7.1681 7.1681 7.3196 7.3196 7.5163 7.5163 7.7011 7.7011 7.7652 7.7652 7.8869 7.8869 k = 0.1000 0.0577-0.0000 ( 6822 PWs) bands (ev): -7.3397 -7.3397 -7.2669 -7.2669 -7.1044 -7.1044 -6.9432 -6.9432 -5.6651 -5.6651 -4.5754 -4.5754 -4.4946 -4.4946 -2.5766 -2.5766 -2.5120 -2.5120 -1.6876 -1.6876 -1.1669 -1.1669 0.3468 0.3468 3.1085 3.1085 3.1393 3.1393 3.3686 3.3686 3.5920 3.5920 3.8932 3.8932 3.9933 3.9933 4.0624 4.0624 4.1685 4.1685 4.2316 4.2316 4.5220 4.5220 4.9697 4.9697 5.0253 5.0253 5.1741 5.1741 5.5097 5.5097 5.6431 5.6431 5.9491 5.9491 6.1277 6.1277 6.2462 6.2462 6.2931 6.2931 6.5578 6.5578 6.7463 6.7463 7.0327 7.0327 7.1830 7.1830 7.3636 7.3636 7.5599 7.5599 7.7268 7.7268 7.7943 7.7943 7.9553 7.9553 k = 0.1111 0.0642-0.0000 ( 6832 PWs) bands (ev): -7.3161 -7.3161 -7.2436 -7.2436 -7.0813 -7.0813 -6.9206 -6.9206 -5.6432 -5.6432 -4.5601 -4.5601 -4.4792 -4.4792 -2.5821 -2.5821 -2.5155 -2.5155 -1.7141 -1.7141 -1.2024 -1.2024 0.3123 0.3123 2.9876 2.9876 3.0264 3.0264 3.2798 3.2798 3.5532 3.5532 3.8326 3.8326 3.9412 3.9412 4.0013 4.0013 4.1268 4.1268 4.1975 4.1975 4.4594 4.4594 4.9189 4.9189 5.0072 5.0072 5.1034 5.1034 5.4757 5.4757 5.6150 5.6150 5.9845 5.9845 6.1156 6.1156 6.2236 6.2236 6.3124 6.3124 6.5195 6.5195 6.7036 6.7036 7.0827 7.0827 7.2062 7.2062 7.4264 7.4264 7.6011 7.6011 7.7196 7.7196 7.8568 7.8568 8.0214 8.0214 k = 0.1222 0.0706-0.0000 ( 6842 PWs) bands (ev): -7.2901 -7.2901 -7.2180 -7.2180 -7.0558 -7.0558 -6.8957 -6.8957 -5.6191 -5.6191 -4.5434 -4.5434 -4.4625 -4.4625 -2.5890 -2.5890 -2.5198 -2.5198 -1.7439 -1.7439 -1.2419 -1.2419 0.2750 0.2750 2.8623 2.8623 2.9163 2.9163 3.1919 3.1919 3.5053 3.5053 3.7755 3.7755 3.8884 3.8884 3.9410 3.9410 4.0824 4.0824 4.1639 4.1639 4.3942 4.3942 4.8306 4.8306 4.9620 4.9620 5.0818 5.0818 5.4287 5.4287 5.5732 5.5732 5.9993 5.9993 6.1129 6.1129 6.2134 6.2134 6.3239 6.3239 6.4793 6.4793 6.6703 6.6703 7.1101 7.1101 7.2535 7.2535 7.5014 7.5014 7.6443 7.6443 7.7080 7.7080 7.9174 7.9174 8.0776 8.0776 k = 0.1333 0.0770-0.0000 ( 6860 PWs) bands (ev): -7.2617 -7.2617 -7.1900 -7.1900 -7.0279 -7.0279 -6.8685 -6.8685 -5.5929 -5.5929 -4.5253 -4.5253 -4.4444 -4.4444 -2.5977 -2.5977 -2.5250 -2.5250 -1.7773 -1.7773 -1.2854 -1.2854 0.2350 0.2350 2.7370 2.7370 2.8073 2.8073 3.1058 3.1058 3.4447 3.4447 3.7245 3.7245 3.8354 3.8354 3.8822 3.8822 4.0357 4.0357 4.1306 4.1306 4.3268 4.3268 4.7335 4.7335 4.8866 4.8866 5.0897 5.0897 5.3756 5.3756 5.5174 5.5174 5.9925 5.9925 6.0945 6.0945 6.2206 6.2206 6.3197 6.3197 6.4448 6.4448 6.6686 6.6686 7.1143 7.1143 7.3148 7.3148 7.5803 7.5803 7.6807 7.6807 7.7090 7.7090 7.9623 7.9623 8.1263 8.1263 k = 0.1444 0.0834-0.0000 ( 6868 PWs) bands (ev): -7.2308 -7.2308 -7.1596 -7.1596 -6.9977 -6.9977 -6.8391 -6.8391 -5.5645 -5.5645 -4.5059 -4.5059 -4.4250 -4.4250 -2.6085 -2.6085 -2.5314 -2.5314 -1.8143 -1.8143 -1.3330 -1.3330 0.1926 0.1926 2.6139 2.6139 2.6989 2.6989 3.0218 3.0218 3.3726 3.3726 3.6786 3.6786 3.7826 3.7826 3.8260 3.8260 3.9869 3.9869 4.0968 4.0968 4.2576 4.2576 4.6317 4.6317 4.8113 4.8113 5.0950 5.0950 5.3192 5.3192 5.4553 5.4553 5.9664 5.9664 6.0486 6.0486 6.2292 6.2292 6.3043 6.3043 6.4337 6.4337 6.6938 6.6938 7.1081 7.1081 7.3751 7.3751 7.6466 7.6466 7.6855 7.6855 7.7530 7.7530 7.9911 7.9911 8.1810 8.1810 k = 0.1556 0.0898-0.0000 ( 6876 PWs) bands (ev): -7.1976 -7.1976 -7.1268 -7.1268 -6.9651 -6.9651 -6.8074 -6.8074 -5.5341 -5.5341 -4.4854 -4.4854 -4.4044 -4.4044 -2.6216 -2.6216 -2.5390 -2.5390 -1.8552 -1.8552 -1.3845 -1.3845 0.1481 0.1481 2.4938 2.4938 2.5914 2.5914 2.9398 2.9398 3.2936 3.2936 3.6340 3.6340 3.7298 3.7298 3.7737 3.7737 3.9364 3.9364 4.0614 4.0614 4.1874 4.1874 4.5279 4.5279 4.7419 4.7419 5.0872 5.0872 5.2628 5.2628 5.3956 5.3956 5.9215 5.9215 5.9828 5.9828 6.2248 6.2248 6.2867 6.2867 6.4495 6.4495 6.7312 6.7312 7.0976 7.0976 7.4295 7.4295 7.6616 7.6616 7.7180 7.7180 7.8021 7.8021 8.0237 8.0237 8.2482 8.2482 k = 0.1667 0.0962-0.0000 ( 6876 PWs) bands (ev): -7.1620 -7.1620 -7.0918 -7.0918 -6.9303 -6.9303 -6.7735 -6.7735 -5.5015 -5.5015 -4.4638 -4.4638 -4.3827 -4.3827 -2.6374 -2.6374 -2.5480 -2.5480 -1.9000 -1.9000 -1.4398 -1.4398 0.1016 0.1016 2.3775 2.3775 2.4855 2.4855 2.8593 2.8593 3.2121 3.2121 3.5876 3.5876 3.6759 3.6759 3.7266 3.7266 3.8846 3.8846 4.0223 4.0223 4.1179 4.1179 4.4249 4.4249 4.6789 4.6789 5.0573 5.0573 5.2110 5.2110 5.3455 5.3455 5.8565 5.8565 5.9118 5.9118 6.2112 6.2112 6.2701 6.2701 6.4753 6.4753 6.7698 6.7698 7.0868 7.0868 7.4764 7.4764 7.6602 7.6602 7.7413 7.7413 7.8515 7.8515 8.0764 8.0764 8.3256 8.3256 k = 0.1778 0.1026-0.0000 ( 6874 PWs) bands (ev): -7.1241 -7.1241 -7.0544 -7.0544 -6.8931 -6.8931 -6.7374 -6.7374 -5.4670 -5.4670 -4.4413 -4.4413 -4.3599 -4.3599 -2.6562 -2.6562 -2.5585 -2.5585 -1.9488 -1.9488 -1.4989 -1.4989 0.0535 0.0535 2.2654 2.2654 2.3817 2.3817 2.7792 2.7792 3.1322 3.1322 3.5380 3.5380 3.6202 3.6202 3.6846 3.6846 3.8319 3.8319 3.9761 3.9761 4.0521 4.0521 4.3260 4.3260 4.6209 4.6209 5.0022 5.0022 5.1644 5.1644 5.3098 5.3098 5.7752 5.7752 5.8447 5.8447 6.1932 6.1932 6.2539 6.2539 6.4949 6.4949 6.8023 6.8023 7.0794 7.0794 7.5151 7.5151 7.6635 7.6635 7.7439 7.7439 7.9067 7.9067 8.1406 8.1406 8.4068 8.4068 k = 0.1889 0.1091-0.0000 ( 6872 PWs) bands (ev): -7.0838 -7.0838 -7.0148 -7.0148 -6.8538 -6.8538 -6.6992 -6.6992 -5.4304 -5.4304 -4.4180 -4.4180 -4.3362 -4.3362 -2.6783 -2.6783 -2.5707 -2.5707 -2.0017 -2.0017 -1.5614 -1.5614 0.0039 0.0039 2.1576 2.1576 2.2809 2.2809 2.6987 2.6987 3.0565 3.0565 3.4857 3.4857 3.5629 3.5629 3.6457 3.6457 3.7784 3.7784 3.9203 3.9203 3.9913 3.9913 4.2349 4.2349 4.5659 4.5659 4.9294 4.9294 5.1178 5.1178 5.2875 5.2875 5.6894 5.6894 5.7792 5.7792 6.1725 6.1725 6.2364 6.2364 6.4993 6.4993 6.8234 6.8234 7.0787 7.0787 7.5452 7.5452 7.6759 7.6759 7.7418 7.7418 7.9651 7.9651 8.2041 8.2041 8.4728 8.4728 k = 0.2000 0.1155-0.0000 ( 6870 PWs) bands (ev): -7.0413 -7.0413 -6.9730 -6.9730 -6.8122 -6.8122 -6.6589 -6.6589 -5.3920 -5.3920 -4.3940 -4.3940 -4.3116 -4.3116 -2.7039 -2.7039 -2.5848 -2.5848 -2.0588 -2.0588 -1.6271 -1.6271 -0.0468 -0.0468 2.0542 2.0542 2.1839 2.1839 2.6171 2.6171 2.9867 2.9867 3.4319 3.4319 3.5046 3.5046 3.6076 3.6076 3.7245 3.7245 3.8575 3.8575 3.9314 3.9314 4.1558 4.1558 4.5115 4.5115 4.8477 4.8477 5.0691 5.0691 5.2730 5.2730 5.6074 5.6074 5.7140 5.7140 6.1497 6.1497 6.2162 6.2162 6.4855 6.4855 6.8297 6.8297 7.0860 7.0860 7.5682 7.5682 7.6978 7.6978 7.7456 7.7456 8.0236 8.0236 8.2619 8.2619 8.5074 8.5074 k = 0.2111 0.1219-0.0000 ( 6866 PWs) bands (ev): -6.9965 -6.9965 -6.9290 -6.9290 -6.7685 -6.7685 -6.6166 -6.6166 -5.3518 -5.3518 -4.3695 -4.3695 -4.2864 -4.2864 -2.7332 -2.7332 -2.6010 -2.6010 -2.1200 -2.1200 -1.6958 -1.6958 -0.0984 -0.0984 1.9551 1.9551 2.0918 2.0918 2.5341 2.5341 2.9233 2.9233 3.3775 3.3775 3.4456 3.4456 3.5689 3.5689 3.6703 3.6703 3.7932 3.7932 3.8667 3.8667 4.0913 4.0913 4.4552 4.4552 4.7620 4.7620 5.0191 5.0191 5.2607 5.2607 5.5336 5.5336 5.6500 5.6500 6.1239 6.1239 6.1925 6.1925 6.4557 6.4557 6.8205 6.8205 7.1003 7.1003 7.5867 7.5867 7.7207 7.7207 7.7662 7.7662 8.0799 8.0799 8.3141 8.3141 8.5229 8.5229 k = 0.2222 0.1283-0.0000 ( 6870 PWs) bands (ev): -6.9495 -6.9495 -6.8828 -6.8828 -6.7227 -6.7227 -6.5722 -6.5722 -5.3098 -5.3098 -4.3448 -4.3448 -4.2605 -4.2605 -2.7663 -2.7663 -2.6196 -2.6196 -2.1853 -2.1853 -1.7672 -1.7672 -0.1508 -0.1508 1.8600 1.8600 2.0054 2.0054 2.4500 2.4500 2.8658 2.8658 3.3234 3.3234 3.3862 3.3862 3.5283 3.5283 3.6163 3.6163 3.7306 3.7306 3.7969 3.7969 4.0402 4.0402 4.3952 4.3952 4.6752 4.6752 4.9692 4.9692 5.2463 5.2463 5.4700 5.4700 5.5888 5.5888 6.0935 6.0935 6.1659 6.1659 6.4149 6.4149 6.7975 6.7975 7.1189 7.1189 7.6013 7.6013 7.7365 7.7365 7.8105 7.8105 8.1321 8.1321 8.3619 8.3619 8.5294 8.5294 k = 0.2333 0.1347-0.0000 ( 6868 PWs) bands (ev): -6.9004 -6.9004 -6.8346 -6.8346 -6.6748 -6.6748 -6.5260 -6.5260 -5.2662 -5.2662 -4.3201 -4.3201 -4.2343 -4.2343 -2.8034 -2.8034 -2.6406 -2.6406 -2.2545 -2.2545 -1.8409 -1.8409 -0.2039 -0.2039 1.7688 1.7688 1.9256 1.9256 2.3656 2.3656 2.8128 2.8128 3.2703 3.2703 3.3268 3.3268 3.4855 3.4855 3.5628 3.5628 3.6709 3.6709 3.7261 3.7261 3.9983 3.9983 4.3307 4.3307 4.5885 4.5885 4.9200 4.9200 5.2264 5.2264 5.4180 5.4180 5.5326 5.5326 6.0556 6.0556 6.1379 6.1379 6.3691 6.3691 6.7643 6.7643 7.1390 7.1390 7.6110 7.6110 7.7507 7.7507 7.8709 7.8709 8.1783 8.1783 8.4064 8.4064 8.5310 8.5310 k = 0.2444 0.1411-0.0000 ( 6878 PWs) bands (ev): -6.8491 -6.8491 -6.7843 -6.7843 -6.6249 -6.6249 -6.4779 -6.4779 -5.2210 -5.2210 -4.2956 -4.2956 -4.2078 -4.2078 -2.8445 -2.8445 -2.6643 -2.6643 -2.3276 -2.3276 -1.9166 -1.9166 -0.2574 -0.2574 1.6815 1.6815 1.8530 1.8530 2.2818 2.2818 2.7625 2.7625 3.2187 3.2187 3.2680 3.2680 3.4403 3.4403 3.5107 3.5107 3.6139 3.6139 3.6591 3.6591 3.9611 3.9611 4.2624 4.2624 4.5030 4.5030 4.8720 4.8720 5.1980 5.1980 5.3776 5.3776 5.4835 5.4835 6.0076 6.0076 6.1108 6.1108 6.3237 6.3237 6.7239 6.7239 7.1588 7.1588 7.6147 7.6147 7.7665 7.7665 7.9412 7.9412 8.2172 8.2172 8.4463 8.4463 8.5277 8.5277 k = 0.2556 0.1475-0.0000 ( 6868 PWs) bands (ev): -6.7957 -6.7957 -6.7320 -6.7320 -6.5731 -6.5731 -6.4280 -6.4280 -5.1744 -5.1744 -4.2716 -4.2716 -4.1812 -4.1812 -2.8894 -2.8894 -2.6908 -2.6908 -2.4042 -2.4042 -1.9939 -1.9939 -0.3112 -0.3112 1.5983 1.5983 1.7876 1.7876 2.1996 2.1996 2.7130 2.7130 3.1684 3.1684 3.2111 3.2111 3.3934 3.3934 3.4606 3.4606 3.5586 3.5586 3.5992 3.5992 3.9240 3.9240 4.1931 4.1931 4.4190 4.4190 4.8253 4.8253 5.1588 5.1588 5.3479 5.3479 5.4426 5.4426 5.9499 5.9499 6.0857 6.0857 6.2817 6.2817 6.6790 6.6790 7.1770 7.1770 7.6125 7.6125 7.7838 7.7838 8.0162 8.0162 8.2484 8.2485 8.4726 8.4726 8.4945 8.4945 k = 0.2667 0.1540-0.0000 ( 6886 PWs) bands (ev): -6.7403 -6.7403 -6.6778 -6.6778 -6.5194 -6.5194 -6.3765 -6.3765 -5.1265 -5.1265 -4.2484 -4.2484 -4.1548 -4.1548 -2.9380 -2.9380 -2.7202 -2.7202 -2.4840 -2.4840 -2.0724 -2.0724 -0.3655 -0.3655 1.5195 1.5195 1.7294 1.7294 2.1202 2.1202 2.6625 2.6625 3.1181 3.1181 3.1580 3.1580 3.3454 3.3454 3.4138 3.4138 3.5049 3.5049 3.5473 3.5473 3.8823 3.8823 4.1274 4.1274 4.3370 4.3370 4.7798 4.7798 5.1092 5.1092 5.3262 5.3262 5.4098 5.4098 5.8860 5.8860 6.0626 6.0626 6.2443 6.2443 6.6315 6.6315 7.1931 7.1931 7.6050 7.6050 7.8021 7.8021 8.0884 8.0884 8.2721 8.2721 8.4147 8.4147 8.4860 8.4860 k = 0.2778 0.1604-0.0000 ( 6890 PWs) bands (ev): -6.6830 -6.6830 -6.6218 -6.6218 -6.4640 -6.4640 -6.3234 -6.3234 -5.0775 -5.0775 -4.2264 -4.2264 -4.1290 -4.1290 -2.9900 -2.9900 -2.7526 -2.7526 -2.5668 -2.5668 -2.1516 -2.1516 -0.4201 -0.4201 1.4456 1.4456 1.6774 1.6774 2.0447 2.0447 2.6097 2.6097 3.0663 3.0663 3.1108 3.1108 3.2979 3.2979 3.3711 3.3711 3.4541 3.4541 3.5014 3.5014 3.8312 3.8312 4.0709 4.0709 4.2573 4.2573 4.7355 4.7355 5.0513 5.0513 5.3070 5.3070 5.3850 5.3850 5.8207 5.8207 6.0413 6.0413 6.2112 6.2112 6.5827 6.5827 7.2068 7.2068 7.5932 7.5932 7.8206 7.8206 8.1394 8.1394 8.2771 8.2771 8.3625 8.3625 8.4846 8.4846 k = 0.2889 0.1668-0.0000 ( 6890 PWs) bands (ev): -6.6238 -6.6238 -6.5640 -6.5640 -6.4068 -6.4068 -6.2688 -6.2688 -5.0274 -5.0274 -4.2060 -4.2060 -4.1039 -4.1039 -3.0452 -3.0452 -2.7879 -2.7879 -2.6522 -2.6522 -2.2310 -2.2310 -0.4750 -0.4750 1.3772 1.3772 1.6305 1.6305 1.9747 1.9747 2.5537 2.5537 3.0135 3.0135 3.0688 3.0688 3.2519 3.2519 3.3334 3.3334 3.4073 3.4073 3.4596 3.4596 3.7684 3.7684 4.0269 4.0269 4.1805 4.1805 4.6922 4.6922 4.9879 4.9879 5.2833 5.2833 5.3689 5.3689 5.7591 5.7591 6.0215 6.0215 6.1818 6.1818 6.5335 6.5335 7.2181 7.2181 7.5778 7.5778 7.8389 7.8389 8.1268 8.1268 8.2592 8.2592 8.3819 8.3819 8.4869 8.4869 k = 0.3000 0.1732-0.0000 ( 6902 PWs) bands (ev): -6.5629 -6.5629 -6.5046 -6.5046 -6.3481 -6.3481 -6.2129 -6.2129 -4.9766 -4.9766 -4.1876 -4.1876 -4.0801 -4.0801 -3.1029 -3.1029 -2.8261 -2.8261 -2.7397 -2.7397 -2.3102 -2.3102 -0.5302 -0.5302 1.3149 1.3149 1.5866 1.5866 1.9121 1.9121 2.4945 2.4945 2.9617 2.9617 3.0297 3.0297 3.2083 3.2083 3.3008 3.3008 3.3649 3.3649 3.4205 3.4205 3.6963 3.6963 3.9931 3.9931 4.1083 4.1083 4.6498 4.6498 4.9212 4.9212 5.2501 5.2501 5.3611 5.3611 5.7053 5.7053 6.0033 6.0033 6.1555 6.1555 6.4845 6.4845 7.2267 7.2267 7.5598 7.5598 7.8562 7.8562 8.0535 8.0535 8.2581 8.2581 8.4106 8.4106 8.5190 8.5190 k = 0.3111 0.1796-0.0000 ( 6906 PWs) bands (ev): -6.5002 -6.5002 -6.4436 -6.4436 -6.2879 -6.2879 -6.1559 -6.1559 -4.9252 -4.9252 -4.1715 -4.1715 -4.0582 -4.0582 -3.1626 -3.1626 -2.8674 -2.8674 -2.8289 -2.8289 -2.3883 -2.3883 -0.5858 -0.5858 1.2592 1.2592 1.5436 1.5436 1.8593 1.8593 2.4323 2.4323 2.9125 2.9125 2.9914 2.9914 3.1676 3.1676 3.2719 3.2719 3.3275 3.3275 3.3834 3.3834 3.6203 3.6203 3.9606 3.9606 4.0464 4.0464 4.6080 4.6080 4.8532 4.8532 5.2070 5.2070 5.3587 5.3587 5.6615 5.6615 5.9867 5.9867 6.1319 6.1319 6.4361 6.4361 7.2326 7.2326 7.5399 7.5399 7.8706 7.8706 7.9676 7.9676 8.2569 8.2569 8.4113 8.4113 8.5923 8.5923 k = 0.3222 0.1860-0.0000 ( 6906 PWs) bands (ev): -6.4360 -6.4360 -6.3813 -6.3813 -6.2264 -6.2264 -6.0978 -6.0978 -4.8736 -4.8736 -4.1582 -4.1582 -4.0387 -4.0387 -3.2234 -3.2234 -2.9209 -2.9209 -2.9098 -2.9098 -2.4646 -2.4646 -0.6416 -0.6416 1.2104 1.2104 1.4988 1.4988 1.8185 1.8185 2.3677 2.3677 2.8670 2.8670 2.9529 2.9529 3.1297 3.1297 3.2441 3.2441 3.2948 3.2948 3.3483 3.3483 3.5460 3.5460 3.9151 3.9151 4.0065 4.0065 4.5665 4.5665 4.7855 4.7855 5.1561 5.1561 5.3582 5.3582 5.6281 5.6281 5.9717 5.9717 6.1107 6.1107 6.3888 6.3888 7.2355 7.2355 7.5187 7.5187 7.8577 7.8577 7.9088 7.9088 8.2515 8.2515 8.3999 8.3999 8.6814 8.6814 k = 0.3333 0.1925-0.0000 ( 6900 PWs) bands (ev): -6.3704 -6.3704 -6.3177 -6.3177 -6.1639 -6.1639 -6.0391 -6.0391 -4.8221 -4.8221 -4.1481 -4.1481 -4.0228 -4.0228 -3.2844 -3.2844 -3.0112 -3.0112 -2.9574 -2.9574 -2.5383 -2.5383 -0.6975 -0.6975 1.1688 1.1688 1.4508 1.4508 1.7909 1.7909 2.3017 2.3017 2.8260 2.8260 2.9137 2.9137 3.0945 3.0945 3.2153 3.2153 3.2633 3.2633 3.3169 3.3169 3.4787 3.4787 3.8551 3.8551 3.9882 3.9882 4.5246 4.5246 4.7203 4.7203 5.1004 5.1004 5.3576 5.3576 5.6034 5.6034 5.9581 5.9581 6.0916 6.0916 6.3426 6.3426 7.2350 7.2350 7.4968 7.4968 7.7862 7.7862 7.9140 7.9140 8.2427 8.2427 8.3846 8.3846 8.7718 8.7718 k = 0.3444 0.1989-0.0000 ( 6896 PWs) bands (ev): -6.3035 -6.3035 -6.2531 -6.2531 -6.1004 -6.1004 -5.9799 -5.9799 -4.7711 -4.7711 -4.1414 -4.1414 -4.0115 -4.0115 -3.3442 -3.3442 -3.1024 -3.1024 -3.0070 -3.0070 -2.6084 -2.6084 -0.7533 -0.7533 1.1348 1.1348 1.3994 1.3994 1.7762 1.7762 2.2351 2.2351 2.7896 2.7896 2.8736 2.8736 3.0618 3.0618 3.1853 3.1853 3.2254 3.2254 3.2915 3.2915 3.4236 3.4236 3.7904 3.7904 3.9807 3.9807 4.4819 4.4819 4.6597 4.6597 5.0426 5.0426 5.3555 5.3555 5.5852 5.5852 5.9458 5.9458 6.0742 6.0742 6.2980 6.2980 7.2305 7.2305 7.4748 7.4748 7.7156 7.7156 7.9275 7.9275 8.2315 8.2315 8.3677 8.3677 8.8506 8.8506 k = 0.3556 0.2053-0.0000 ( 6904 PWs) bands (ev): -6.2355 -6.2355 -6.1877 -6.1877 -6.0364 -6.0364 -5.9204 -5.9204 -4.7210 -4.7210 -4.1385 -4.1385 -4.0063 -4.0063 -3.4014 -3.4014 -3.1930 -3.1930 -3.0591 -3.0591 -2.6740 -2.6740 -0.8088 -0.8088 1.1083 1.1083 1.3458 1.3458 1.7727 1.7727 2.1690 2.1690 2.7579 2.7579 2.8325 2.8325 3.0315 3.0315 3.1536 3.1536 3.1801 3.1801 3.2703 3.2703 3.3832 3.3832 3.7255 3.7255 3.9787 3.9787 4.4380 4.4380 4.6061 4.6061 4.9853 4.9853 5.3510 5.3510 5.5714 5.5714 5.9344 5.9344 6.0577 6.0577 6.2552 6.2552 7.2216 7.2216 7.4529 7.4529 7.6570 7.6570 7.9412 7.9412 8.2186 8.2186 8.3501 8.3501 8.9050 8.9050 k = 0.3667 0.2117-0.0000 ( 6912 PWs) bands (ev): -6.1667 -6.1667 -6.1217 -6.1217 -5.9720 -5.9720 -5.8612 -5.8612 -4.6725 -4.6725 -4.1394 -4.1394 -4.0089 -4.0089 -3.4544 -3.4544 -3.2819 -3.2819 -3.1137 -3.1137 -2.7340 -2.7340 -0.8634 -0.8634 1.0893 1.0893 1.2914 1.2914 1.7776 1.7776 2.1051 2.1051 2.7307 2.7307 2.7908 2.7908 3.0036 3.0036 3.1130 3.1130 3.1396 3.1396 3.2496 3.2496 3.3548 3.3548 3.6621 3.6621 3.9804 3.9804 4.3937 4.3937 4.5608 4.5608 4.9301 4.9301 5.3433 5.3433 5.5607 5.5607 5.9234 5.9234 6.0412 6.0412 6.2147 6.2147 7.2082 7.2082 7.4311 7.4311 7.6137 7.6137 7.9546 7.9546 8.2047 8.2047 8.3321 8.3321 8.9393 8.9393 k = 0.3778 0.2181-0.0000 ( 6912 PWs) bands (ev): -6.0974 -6.0974 -6.0554 -6.0554 -5.9077 -5.9077 -5.8026 -5.8026 -4.6263 -4.6263 -4.1440 -4.1440 -4.0208 -4.0208 -3.5026 -3.5026 -3.3673 -3.3673 -3.1703 -3.1703 -2.7879 -2.7879 -0.9169 -0.9169 1.0776 1.0776 1.2377 1.2377 1.7871 1.7871 2.0462 2.0462 2.7067 2.7067 2.7493 2.7493 2.9782 2.9782 3.0627 3.0627 3.1106 3.1106 3.2286 3.2286 3.3321 3.3321 3.6008 3.6008 3.9847 3.9847 4.3513 4.3513 4.5239 4.5239 4.8784 4.8784 5.3319 5.3319 5.5522 5.5522 5.9122 5.9122 6.0236 6.0236 6.1773 6.1773 7.1915 7.1915 7.4094 7.4094 7.5873 7.5873 7.9674 7.9674 8.1903 8.1903 8.3142 8.3142 8.9604 8.9604 k = 0.3889 0.2245-0.0000 ( 6912 PWs) bands (ev): -6.0279 -6.0279 -5.9893 -5.9893 -5.8440 -5.8440 -5.7451 -5.7451 -4.5834 -4.5834 -4.1520 -4.1520 -4.0430 -4.0430 -3.5477 -3.5477 -3.4453 -3.4453 -3.2284 -3.2284 -2.8352 -2.8352 -0.9685 -0.9685 1.0729 1.0729 1.1859 1.1859 1.7941 1.7941 1.9983 1.9983 2.6812 2.6812 2.7125 2.7125 2.9550 2.9550 3.0133 3.0133 3.0862 3.0862 3.2082 3.2082 3.3089 3.3089 3.5421 3.5421 3.9911 3.9911 4.3133 4.3133 4.4948 4.4948 4.8312 4.8312 5.3159 5.3159 5.5459 5.5459 5.8997 5.8997 6.0040 6.0040 6.1435 6.1435 7.1735 7.1735 7.3880 7.3880 7.5773 7.5773 7.9797 7.9797 8.1759 8.1759 8.2965 8.2965 8.9710 8.9710 k = 0.4000 0.2309-0.0000 ( 6924 PWs) bands (ev): -5.9587 -5.9587 -5.9238 -5.9238 -5.7816 -5.7816 -5.6894 -5.6894 -4.5448 -4.5448 -4.1628 -4.1628 -4.0750 -4.0750 -3.5974 -3.5974 -3.5069 -3.5069 -3.2869 -3.2869 -2.8758 -2.8758 -1.0179 -1.0179 1.0746 1.0746 1.1373 1.1373 1.7862 1.7862 1.9727 1.9727 2.6453 2.6453 2.6898 2.6898 2.9340 2.9340 2.9690 2.9690 3.0645 3.0645 3.1890 3.1890 3.2811 3.2811 3.4865 3.4865 3.9991 3.9991 4.2817 4.2817 4.4728 4.4728 4.7895 4.7895 5.2949 5.2949 5.5419 5.5419 5.8849 5.8849 5.9831 5.9831 6.1140 6.1140 7.1564 7.1564 7.3674 7.3674 7.5821 7.5821 7.9914 7.9914 8.1619 8.1619 8.2792 8.2792 8.9703 8.9703 k = 0.4111 0.2374-0.0000 ( 6924 PWs) bands (ev): -5.8903 -5.8903 -5.8595 -5.8595 -5.7211 -5.7211 -5.6362 -5.6362 -4.5120 -4.5120 -4.1758 -4.1758 -4.1147 -4.1147 -3.6586 -3.6586 -3.5451 -3.5451 -3.3446 -3.3446 -2.9100 -2.9100 -1.0642 -1.0642 1.0778 1.0778 1.0970 1.0970 1.7551 1.7551 1.9770 1.9770 2.6030 2.6030 2.6775 2.6775 2.9138 2.9138 2.9321 2.9321 3.0448 3.0448 3.1714 3.1714 3.2473 3.2473 3.4343 3.4343 4.0085 4.0085 4.2568 4.2568 4.4573 4.4573 4.7544 4.7544 5.2685 5.2685 5.5403 5.5403 5.8656 5.8656 5.9630 5.9630 6.0886 6.0886 7.1420 7.1420 7.3481 7.3481 7.5999 7.5999 8.0025 8.0025 8.1486 8.1486 8.2624 8.2624 8.9324 8.9324 k = 0.4222 0.2438-0.0000 ( 6910 PWs) bands (ev): -5.8234 -5.8234 -5.7971 -5.7971 -5.6635 -5.6635 -5.5865 -5.5865 -4.4861 -4.4861 -4.1927 -4.1927 -4.1571 -4.1571 -3.7243 -3.7243 -3.5671 -3.5671 -3.4000 -3.4000 -2.9382 -2.9382 -1.1070 -1.1070 1.0467 1.0467 1.1011 1.1011 1.7082 1.7082 2.0027 2.0027 2.5604 2.5604 2.6704 2.6704 2.8900 2.8900 2.9070 2.9070 3.0264 3.0264 3.1554 3.1554 3.2084 3.2084 3.3855 3.3855 4.0192 4.0192 4.2377 4.2377 4.4476 4.4476 4.7276 4.7276 5.2364 5.2364 5.5414 5.5414 5.8408 5.8408 5.9465 5.9465 6.0665 6.0665 7.1310 7.1310 7.3305 7.3305 7.6291 7.6291 8.0132 8.0132 8.1364 8.1364 8.2464 8.2464 8.8376 8.8376 k = 0.4333 0.2502-0.0000 ( 6912 PWs) bands (ev): -5.7589 -5.7589 -5.7375 -5.7375 -5.6100 -5.6100 -5.5411 -5.5411 -4.4679 -4.4679 -4.2238 -4.2238 -4.1883 -4.1883 -3.7863 -3.7863 -3.5813 -3.5813 -3.4512 -3.4512 -2.9611 -2.9611 -1.1456 -1.1456 1.0103 1.0103 1.1205 1.1205 1.6550 1.6550 2.0394 2.0394 2.5200 2.5200 2.6669 2.6669 2.8644 2.8644 2.8915 2.8915 3.0077 3.0077 3.1402 3.1402 3.1686 3.1686 3.3403 3.3403 4.0312 4.0312 4.2222 4.2222 4.4423 4.4423 4.7109 4.7109 5.1989 5.1989 5.5449 5.5449 5.8111 5.8111 5.9349 5.9349 6.0470 6.0470 7.1235 7.1235 7.3148 7.3148 7.6687 7.6687 8.0232 8.0232 8.1254 8.1254 8.2312 8.2312 8.7306 8.7306 k = 0.4444 0.2566-0.0000 ( 6908 PWs) bands (ev): -5.6981 -5.6981 -5.6818 -5.6818 -5.5620 -5.5620 -5.5012 -5.5012 -4.4572 -4.4572 -4.2686 -4.2686 -4.2061 -4.2061 -3.8397 -3.8397 -3.5925 -3.5925 -3.4963 -3.4963 -2.9792 -2.9792 -1.1793 -1.1793 0.9784 0.9784 1.1455 1.1455 1.6000 1.6000 2.0808 2.0808 2.4835 2.4835 2.6664 2.6664 2.8421 2.8421 2.8796 2.8796 2.9860 2.9860 3.1197 3.1197 3.1394 3.1394 3.2986 3.2986 4.0445 4.0445 4.2084 4.2084 4.4395 4.4395 4.7063 4.7063 5.1564 5.1564 5.5510 5.5510 5.7789 5.7789 5.9275 5.9275 6.0298 6.0298 7.1188 7.1188 7.3012 7.3012 7.7178 7.7178 8.0325 8.0325 8.1160 8.1160 8.2170 8.2170 8.6226 8.6226 k = 0.4556 0.2630-0.0000 ( 6910 PWs) bands (ev): -5.6426 -5.6426 -5.6313 -5.6313 -5.5210 -5.5210 -5.4681 -5.4681 -4.4522 -4.4522 -4.3136 -4.3136 -4.2225 -4.2225 -3.8815 -3.8815 -3.6036 -3.6036 -3.5327 -3.5327 -2.9931 -2.9931 -1.2077 -1.2077 0.9517 0.9517 1.1752 1.1752 1.5453 1.5453 2.1231 2.1231 2.4520 2.4520 2.6688 2.6688 2.8236 2.8236 2.8695 2.8695 2.9585 2.9585 3.0945 3.0945 3.1268 3.1268 3.2610 3.2610 4.0589 4.0589 4.1947 4.1947 4.4371 4.4371 4.7150 4.7150 5.1100 5.1100 5.5595 5.5595 5.7467 5.7467 5.9232 5.9232 6.0148 6.0148 7.1162 7.1162 7.2899 7.2899 7.7755 7.7755 8.0408 8.0408 8.1084 8.1084 8.2039 8.2039 8.5167 8.5167 k = 0.4667 0.2694-0.0000 ( 6908 PWs) bands (ev): -5.5942 -5.5942 -5.5878 -5.5878 -5.4884 -5.4884 -5.4427 -5.4427 -4.4503 -4.4503 -4.3534 -4.3534 -4.2402 -4.2402 -3.9108 -3.9108 -3.6167 -3.6167 -3.5578 -3.5578 -3.0033 -3.0033 -1.2304 -1.2304 0.9306 0.9306 1.2089 1.2089 1.4921 1.4921 2.1628 2.1628 2.4264 2.4264 2.6740 2.6740 2.8084 2.8084 2.8598 2.8598 2.9270 2.9270 3.0782 3.0782 3.1199 3.1199 3.2282 3.2282 4.0741 4.0741 4.1807 4.1807 4.4342 4.4342 4.7361 4.7361 5.0611 5.0611 5.5700 5.5700 5.7166 5.7166 5.9211 5.9211 6.0023 6.0023 7.1149 7.1149 7.2809 7.2809 7.8406 7.8406 8.0476 8.0476 8.1030 8.1030 8.1921 8.1921 8.4147 8.4147 k = 0.4778 0.2758-0.0000 ( 6910 PWs) bands (ev): -5.5561 -5.5561 -5.5533 -5.5533 -5.4652 -5.4652 -5.4256 -5.4256 -4.4491 -4.4491 -4.3852 -4.3852 -4.2577 -4.2577 -3.9287 -3.9287 -3.6307 -3.6307 -3.5720 -3.5720 -3.0103 -3.0103 -1.2468 -1.2468 0.9154 0.9154 1.2457 1.2457 1.4414 1.4414 2.1960 2.1960 2.4074 2.4074 2.6817 2.6817 2.7954 2.7954 2.8483 2.8483 2.9001 2.9001 3.0708 3.0708 3.1163 3.1163 3.2015 3.2015 4.0894 4.0894 4.1664 4.1664 4.4311 4.4311 4.7659 4.7659 5.0127 5.0127 5.5819 5.5819 5.6900 5.6900 5.9204 5.9204 5.9926 5.9926 7.1144 7.1144 7.2743 7.2743 7.9109 7.9109 8.0520 8.0520 8.1004 8.1004 8.1806 8.1806 8.3202 8.3202 k = 0.4889 0.2823-0.0000 ( 6910 PWs) bands (ev): -5.5323 -5.5323 -5.5294 -5.5294 -5.4517 -5.4517 -5.4163 -5.4163 -4.4472 -4.4472 -4.4064 -4.4064 -4.2711 -4.2711 -3.9379 -3.9379 -3.6412 -3.6412 -3.5787 -3.5787 -3.0144 -3.0144 -1.2568 -1.2568 0.9062 0.9062 1.2833 1.2833 1.3955 1.3955 2.2185 2.2185 2.3956 2.3956 2.6902 2.6902 2.7842 2.7842 2.8361 2.8361 2.8854 2.8854 3.0684 3.0684 3.1154 3.1154 3.1829 3.1829 4.1033 4.1033 4.1533 4.1533 4.4287 4.4287 4.7971 4.7971 4.9711 4.9711 5.5934 5.5934 5.6696 5.6696 5.9204 5.9204 5.9865 5.9865 7.1143 7.1143 7.2704 7.2704 7.9809 7.9809 8.0510 8.0510 8.1033 8.1033 8.1636 8.1636 8.2450 8.2450 k = 0.5000 0.2887-0.0000 ( 6910 PWs) bands (ev): -5.5243 -5.5243 -5.5206 -5.5206 -5.4473 -5.4473 -5.4136 -5.4136 -4.4459 -4.4459 -4.4144 -4.4144 -4.2761 -4.2761 -3.9406 -3.9406 -3.6451 -3.6451 -3.5807 -3.5807 -3.0157 -3.0157 -1.2601 -1.2601 0.9031 0.9031 1.3065 1.3065 1.3695 1.3695 2.2265 2.2265 2.3916 2.3916 2.6945 2.6945 2.7788 2.7788 2.8308 2.8308 2.8813 2.8813 3.0679 3.0679 3.1156 3.1156 3.1760 3.1760 4.1102 4.1102 4.1466 4.1466 4.4278 4.4278 4.8128 4.8128 4.9521 4.9521 5.5990 5.5990 5.6610 5.6610 5.9205 5.9205 5.9843 5.9843 7.1143 7.1143 7.2690 7.2690 8.0318 8.0318 8.0348 8.0348 8.1148 8.1148 8.1380 8.1380 8.2176 8.2176 k = 0.5000 0.2887-0.0000 ( 6910 PWs) bands (ev): -5.5243 -5.5243 -5.5206 -5.5206 -5.4473 -5.4473 -5.4136 -5.4136 -4.4459 -4.4459 -4.4144 -4.4144 -4.2761 -4.2761 -3.9406 -3.9406 -3.6451 -3.6451 -3.5807 -3.5807 -3.0157 -3.0157 -1.2601 -1.2601 0.9031 0.9031 1.3065 1.3065 1.3695 1.3695 2.2265 2.2265 2.3916 2.3916 2.6945 2.6945 2.7788 2.7788 2.8308 2.8308 2.8813 2.8813 3.0679 3.0679 3.1156 3.1156 3.1760 3.1760 4.1102 4.1102 4.1466 4.1466 4.4278 4.4278 4.8128 4.8128 4.9521 4.9521 5.5990 5.5990 5.6610 5.6610 5.9205 5.9205 5.9843 5.9843 7.1143 7.1143 7.2690 7.2690 8.0318 8.0318 8.0348 8.0348 8.1148 8.1148 8.1380 8.1380 8.2176 8.2176 k = 0.4936 0.2998-0.0000 ( 6902 PWs) bands (ev): -5.5230 -5.5230 -5.5194 -5.5194 -5.4460 -5.4460 -5.4123 -5.4123 -4.4454 -4.4454 -4.4139 -4.4139 -4.2757 -4.2757 -3.9412 -3.9412 -3.6456 -3.6456 -3.5818 -3.5818 -3.0173 -3.0173 -1.2610 -1.2610 0.9038 0.9038 1.3073 1.3073 1.3694 1.3694 2.2258 2.2258 2.3924 2.3924 2.6797 2.6797 2.7777 2.7777 2.8189 2.8189 2.8744 2.8744 3.0729 3.0729 3.1089 3.1089 3.1919 3.1919 4.0520 4.0520 4.1987 4.1987 4.4410 4.4410 4.8131 4.8131 4.9517 4.9517 5.5712 5.5712 5.6541 5.6541 5.9334 5.9334 6.0045 6.0045 7.1182 7.1182 7.2769 7.2769 7.9657 7.9657 8.0490 8.0490 8.1198 8.1198 8.1571 8.1571 8.2509 8.2509 k = 0.4872 0.3109-0.0000 ( 6910 PWs) bands (ev): -5.5193 -5.5193 -5.5156 -5.5156 -5.4423 -5.4423 -5.4085 -5.4085 -4.4439 -4.4439 -4.4127 -4.4127 -4.2745 -4.2745 -3.9428 -3.9428 -3.6471 -3.6471 -3.5850 -3.5850 -3.0221 -3.0221 -1.2636 -1.2636 0.9057 0.9057 1.3095 1.3095 1.3691 1.3691 2.2234 2.2234 2.3946 2.3946 2.6412 2.6412 2.7645 2.7645 2.7892 2.7892 2.8694 2.8694 3.0369 3.0369 3.1347 3.1347 3.2297 3.2297 3.9733 3.9733 4.2649 4.2649 4.4707 4.4707 4.8138 4.8138 4.9513 4.9513 5.5106 5.5106 5.6333 5.6333 5.9650 5.9650 6.0507 6.0507 7.1298 7.1298 7.3003 7.3003 7.8888 7.8888 8.0312 8.0312 8.1285 8.1285 8.1757 8.1757 8.3375 8.3375 k = 0.4808 0.3220-0.0000 ( 6922 PWs) bands (ev): -5.5130 -5.5130 -5.5092 -5.5092 -5.4361 -5.4361 -5.4023 -5.4023 -4.4415 -4.4415 -4.4106 -4.4106 -4.2724 -4.2724 -3.9456 -3.9456 -3.6497 -3.6497 -3.5904 -3.5904 -3.0300 -3.0300 -1.2679 -1.2679 0.9089 0.9089 1.3131 1.3131 1.3690 1.3690 2.2186 2.2186 2.3978 2.3978 2.5889 2.5889 2.7145 2.7145 2.7788 2.7788 2.8654 2.8654 2.9754 2.9754 3.1698 3.1698 3.2806 3.2806 3.8943 3.8943 4.3328 4.3328 4.4981 4.4981 4.8137 4.8137 4.9535 4.9535 5.4420 5.4420 5.6132 5.6132 5.9990 5.9990 6.1026 6.1026 7.1487 7.1487 7.3381 7.3381 7.8233 7.8233 8.0066 8.0066 8.1370 8.1370 8.1925 8.1925 8.4417 8.4417 k = 0.4744 0.3331-0.0000 ( 6906 PWs) bands (ev): -5.5043 -5.5043 -5.5004 -5.5004 -5.4274 -5.4274 -5.3935 -5.3935 -4.4381 -4.4381 -4.4078 -4.4078 -4.2696 -4.2696 -3.9496 -3.9496 -3.6534 -3.6534 -3.5979 -3.5979 -3.0411 -3.0411 -1.2740 -1.2740 0.9132 0.9132 1.3175 1.3175 1.3692 1.3692 2.2101 2.2101 2.4005 2.4005 2.5311 2.5311 2.6563 2.6563 2.7685 2.7685 2.8411 2.8411 2.9244 2.9244 3.1935 3.1935 3.3389 3.3389 3.8235 3.8235 4.3940 4.3940 4.5101 4.5101 4.8116 4.8116 4.9624 4.9624 5.3796 5.3796 5.6078 5.6078 6.0228 6.0228 6.1477 6.1477 7.1748 7.1748 7.3886 7.3886 7.7776 7.7776 7.9842 7.9842 8.1455 8.1455 8.2130 8.2130 8.5479 8.5479 k = 0.4679 0.3442-0.0000 ( 6914 PWs) bands (ev): -5.4931 -5.4931 -5.4890 -5.4890 -5.4162 -5.4162 -5.3823 -5.3823 -4.4339 -4.4339 -4.4043 -4.4043 -4.2662 -4.2662 -3.9548 -3.9548 -3.6581 -3.6581 -3.6076 -3.6076 -3.0552 -3.0552 -1.2817 -1.2817 0.9186 0.9186 1.3222 1.3222 1.3706 1.3706 2.1958 2.1958 2.3964 2.3964 2.4777 2.4777 2.6017 2.6017 2.7332 2.7332 2.7934 2.7934 2.9125 2.9125 3.1976 3.1976 3.4000 3.4000 3.7687 3.7687 4.4306 4.4306 4.5047 4.5047 4.8106 4.8106 4.9814 4.9814 5.3341 5.3341 5.6231 5.6231 6.0306 6.0306 6.1779 6.1779 7.2087 7.2087 7.4491 7.4491 7.7562 7.7562 7.9688 7.9688 8.1542 8.1542 8.2392 8.2392 8.6440 8.6440 k = 0.4615 0.3553-0.0000 ( 6908 PWs) bands (ev): -5.4794 -5.4794 -5.4752 -5.4752 -5.4026 -5.4026 -5.3685 -5.3685 -4.4290 -4.4290 -4.4002 -4.4002 -4.2623 -4.2623 -3.9613 -3.9613 -3.6640 -3.6640 -3.6193 -3.6193 -3.0723 -3.0723 -1.2910 -1.2910 0.9249 0.9249 1.3261 1.3261 1.3740 1.3740 2.1735 2.1735 2.3663 2.3663 2.4493 2.4493 2.5555 2.5555 2.6510 2.6510 2.7711 2.7711 2.9164 2.9164 3.1794 3.1794 3.4606 3.4606 3.7327 3.7327 4.4224 4.4224 4.4875 4.4875 4.8195 4.8195 5.0088 5.0088 5.3142 5.3142 5.6573 5.6573 6.0202 6.0202 6.1894 6.1894 7.2520 7.2520 7.5159 7.5159 7.7602 7.7602 7.9633 7.9633 8.1629 8.1629 8.2720 8.2720 8.6199 8.6199 k = 0.4551 0.3664-0.0000 ( 6917 PWs) bands (ev): -5.4632 -5.4632 -5.4588 -5.4588 -5.3865 -5.3865 -5.3523 -5.3523 -4.4234 -4.4234 -4.3957 -4.3957 -4.2580 -4.2580 -3.9692 -3.9692 -3.6710 -3.6710 -3.6332 -3.6332 -3.0924 -3.0924 -1.3019 -1.3019 0.9321 0.9321 1.3283 1.3283 1.3802 1.3802 2.1419 2.1419 2.3115 2.3115 2.4425 2.4425 2.5189 2.5189 2.5606 2.5606 2.7537 2.7537 2.9245 2.9245 3.1444 3.1444 3.5179 3.5179 3.7109 3.7109 4.3760 4.3760 4.4549 4.4549 4.8412 4.8412 5.0387 5.0387 5.3263 5.3263 5.7034 5.7034 5.9918 5.9918 6.1833 6.1833 7.3059 7.3059 7.5850 7.5850 7.7870 7.7870 7.9680 7.9680 8.1708 8.1708 8.3102 8.3102 8.5305 8.5305 k = 0.4487 0.3775-0.0000 ( 6911 PWs) bands (ev): -5.4446 -5.4446 -5.4400 -5.4400 -5.3680 -5.3680 -5.3337 -5.3337 -4.4173 -4.4173 -4.3908 -4.3908 -4.2535 -4.2535 -3.9786 -3.9786 -3.6792 -3.6792 -3.6490 -3.6490 -3.1152 -3.1152 -1.3142 -1.3142 0.9397 0.9397 1.3287 1.3287 1.3893 1.3893 2.1016 2.1016 2.2507 2.2507 2.4129 2.4129 2.4813 2.4813 2.5107 2.5107 2.7318 2.7318 2.9337 2.9337 3.1042 3.1042 3.5687 3.5687 3.6936 3.6936 4.3072 4.3072 4.4125 4.4125 4.8682 4.8682 5.0644 5.0644 5.3718 5.3718 5.7504 5.7504 5.9474 5.9474 6.1676 6.1676 7.3701 7.3701 7.6514 7.6514 7.8316 7.8316 7.9812 7.9812 8.1764 8.1764 8.3392 8.3392 8.4654 8.4654 k = 0.4423 0.3886-0.0000 ( 6905 PWs) bands (ev): -5.4235 -5.4235 -5.4187 -5.4187 -5.3470 -5.3470 -5.3126 -5.3126 -4.4110 -4.4110 -4.3858 -4.3858 -4.2492 -4.2492 -3.9896 -3.9896 -3.6885 -3.6885 -3.6666 -3.6666 -3.1406 -3.1406 -1.3280 -1.3280 0.9478 0.9478 1.3275 1.3275 1.4006 1.4006 2.0552 2.0552 2.1901 2.1901 2.3292 2.3292 2.4692 2.4692 2.5005 2.5005 2.7040 2.7040 2.9415 2.9415 3.0716 3.0716 3.6043 3.6043 3.6752 3.6752 4.2246 4.2246 4.3748 4.3748 4.8947 4.8947 5.0837 5.0837 5.4440 5.4440 5.7833 5.7833 5.8900 5.8900 6.1569 6.1569 7.4416 7.4416 7.7088 7.7088 7.8881 7.8881 7.9990 7.9990 8.1774 8.1774 8.3163 8.3163 8.4798 8.4798 k = 0.4359 0.3997-0.0000 ( 6909 PWs) bands (ev): -5.4000 -5.4000 -5.3950 -5.3950 -5.3237 -5.3237 -5.2891 -5.2891 -4.4045 -4.4045 -4.3809 -4.3809 -4.2452 -4.2452 -4.0024 -4.0024 -3.6990 -3.6990 -3.6858 -3.6858 -3.1684 -3.1684 -1.3429 -1.3429 0.9559 0.9559 1.3251 1.3251 1.4131 1.4131 2.0054 2.0054 2.1320 2.1320 2.2360 2.2360 2.4578 2.4578 2.5030 2.5030 2.6748 2.6748 2.9458 2.9458 3.0552 3.0552 3.5959 3.5959 3.6725 3.6725 4.1384 4.1384 4.3497 4.3497 4.9192 4.9192 5.0982 5.0982 5.5318 5.5318 5.7869 5.7869 5.8234 5.8234 6.1674 6.1674 7.5150 7.5150 7.7478 7.7478 7.9491 7.9491 8.0195 8.0195 8.1716 8.1716 8.2854 8.2854 8.5452 8.5452 k = 0.4295 0.4108-0.0000 ( 6907 PWs) bands (ev): -5.3741 -5.3741 -5.3689 -5.3689 -5.2979 -5.2979 -5.2632 -5.2632 -4.3983 -4.3983 -4.3764 -4.3764 -4.2420 -4.2420 -4.0172 -4.0172 -3.7115 -3.7115 -3.7055 -3.7055 -3.1983 -3.1983 -1.3590 -1.3590 0.9639 0.9639 1.3218 1.3218 1.4257 1.4257 1.9549 1.9549 2.0778 2.0778 2.1463 2.1463 2.4315 2.4315 2.5124 2.5124 2.6544 2.6544 2.9472 2.9472 3.0560 3.0560 3.5428 3.5428 3.6750 3.6750 4.0627 4.0627 4.3375 4.3375 4.9418 4.9418 5.1096 5.1096 5.6246 5.6246 5.7467 5.7467 5.7656 5.7656 6.2029 6.2029 7.5829 7.5829 7.7568 7.7568 7.9952 7.9952 8.0597 8.0597 8.1596 8.1596 8.2925 8.2925 8.6252 8.6252 k = 0.4231 0.4219-0.0000 ( 6895 PWs) bands (ev): -5.3459 -5.3459 -5.3404 -5.3404 -5.2698 -5.2698 -5.2349 -5.2349 -4.3926 -4.3926 -4.3725 -4.3725 -4.2400 -4.2400 -4.0341 -4.0341 -3.7305 -3.7305 -3.7206 -3.7206 -3.2301 -3.2301 -1.3760 -1.3760 0.9714 0.9714 1.3177 1.3177 1.4368 1.4368 1.9051 1.9051 2.0288 2.0288 2.0640 2.0640 2.3864 2.3864 2.5266 2.5266 2.6497 2.6497 2.9487 2.9487 3.0688 3.0688 3.4686 3.4686 3.6490 3.6490 4.0128 4.0128 4.3339 4.3339 4.9625 4.9625 5.1185 5.1185 5.6656 5.6656 5.7086 5.7086 5.7367 5.7367 6.2529 6.2529 7.6327 7.6327 7.7385 7.7385 8.0204 8.0204 8.1299 8.1299 8.1494 8.1494 8.3397 8.3397 8.7088 8.7088 k = 0.4167 0.4330-0.0000 ( 6907 PWs) bands (ev): -5.3152 -5.3152 -5.3096 -5.3096 -5.2394 -5.2394 -5.2044 -5.2044 -4.3880 -4.3880 -4.3697 -4.3697 -4.2398 -4.2398 -4.0534 -4.0534 -3.7529 -3.7529 -3.7337 -3.7337 -3.2631 -3.2631 -1.3938 -1.3938 0.9783 0.9783 1.3124 1.3124 1.4447 1.4447 1.8572 1.8572 1.9855 1.9855 1.9927 1.9927 2.3283 2.3283 2.5448 2.5448 2.6583 2.6583 2.9523 2.9523 3.0884 3.0884 3.3823 3.3823 3.5872 3.5872 3.9938 3.9938 4.3328 4.3328 4.9814 4.9814 5.1249 5.1249 5.5937 5.5937 5.6716 5.6716 5.8105 5.8105 6.3059 6.3059 7.6383 7.6383 7.7277 7.7277 8.0440 8.0440 8.1279 8.1279 8.2321 8.2321 8.4146 8.4146 8.7883 8.7883 k = 0.4103 0.4441-0.0000 ( 6905 PWs) bands (ev): -5.2823 -5.2823 -5.2764 -5.2764 -5.2066 -5.2066 -5.1715 -5.1715 -4.3848 -4.3848 -4.3683 -4.3683 -4.2420 -4.2420 -4.0754 -4.0754 -3.7758 -3.7758 -3.7468 -3.7468 -3.2970 -3.2970 -1.4121 -1.4121 0.9842 0.9842 1.3053 1.3053 1.4469 1.4469 1.8118 1.8118 1.9328 1.9328 1.9519 1.9519 2.2655 2.2655 2.5663 2.5663 2.6748 2.6748 2.9577 2.9577 3.1114 3.1114 3.2894 3.2894 3.5021 3.5021 3.9938 3.9938 4.3281 4.3281 4.9977 4.9977 5.1293 5.1293 5.5238 5.5238 5.6319 5.6319 5.8837 5.8837 6.3543 6.3543 7.6029 7.6029 7.7363 7.7363 8.0683 8.0683 8.1209 8.1209 8.3405 8.3405 8.5068 8.5068 8.8551 8.8551 k = 0.4038 0.4552-0.0000 ( 6903 PWs) bands (ev): -5.2470 -5.2470 -5.2411 -5.2411 -5.1715 -5.1715 -5.1364 -5.1364 -4.3837 -4.3837 -4.3688 -4.3688 -4.2472 -4.2472 -4.1004 -4.1004 -3.7982 -3.7982 -3.7597 -3.7597 -3.3313 -3.3313 -1.4306 -1.4306 0.9892 0.9892 1.2957 1.2957 1.4412 1.4412 1.7693 1.7693 1.8910 1.8910 1.9250 1.9250 2.2038 2.2038 2.5902 2.5902 2.6951 2.6951 2.9628 2.9628 3.1316 3.1316 3.1989 3.1989 3.4093 3.4093 3.9991 3.9991 4.3145 4.3145 5.0105 5.0105 5.1331 5.1331 5.4629 5.4629 5.6029 5.6029 5.9405 5.9405 6.3929 6.3929 7.5658 7.5658 7.7404 7.7404 8.0924 8.0924 8.1229 8.1229 8.4606 8.4606 8.6094 8.6094 8.9000 8.9000 k = 0.3974 0.4663-0.0000 ( 6907 PWs) bands (ev): -5.2096 -5.2096 -5.2035 -5.2035 -5.1343 -5.1343 -5.0991 -5.0991 -4.3854 -4.3854 -4.3718 -4.3718 -4.2562 -4.2562 -4.1286 -4.1286 -3.8193 -3.8193 -3.7722 -3.7722 -3.3651 -3.3651 -1.4492 -1.4492 0.9933 0.9933 1.2823 1.2823 1.4271 1.4271 1.7298 1.7298 1.8679 1.8679 1.9067 1.9067 2.1472 2.1472 2.6157 2.6157 2.7159 2.7159 2.9620 2.9620 3.0882 3.0882 3.1742 3.1742 3.3226 3.3226 4.0014 4.0014 4.2882 4.2882 5.0187 5.0187 5.1384 5.1384 5.4153 5.4153 5.5867 5.5867 5.9761 5.9761 6.4180 6.4180 7.5428 7.5428 7.7395 7.7395 8.1158 8.1158 8.1332 8.1332 8.5892 8.5892 8.7163 8.7163 8.9158 8.9158 k = 0.3910 0.4774-0.0000 ( 6915 PWs) bands (ev): -5.1700 -5.1700 -5.1638 -5.1638 -5.0948 -5.0948 -5.0598 -5.0598 -4.3906 -4.3906 -4.3778 -4.3778 -4.2697 -4.2697 -4.1604 -4.1604 -3.8382 -3.8382 -3.7839 -3.7839 -3.3979 -3.3979 -1.4676 -1.4676 0.9966 0.9966 1.2640 1.2640 1.4060 1.4060 1.6941 1.6941 1.8627 1.8627 1.8970 1.8970 2.0978 2.0978 2.6405 2.6405 2.7331 2.7331 2.9370 2.9370 3.0178 3.0178 3.1828 3.1828 3.2660 3.2660 3.9957 3.9957 4.2477 4.2477 5.0220 5.0220 5.1479 5.1479 5.3842 5.3842 5.5825 5.5825 5.9882 5.9882 6.4274 6.4274 7.5396 7.5396 7.7405 7.7405 8.1385 8.1385 8.1491 8.1491 8.7230 8.7230 8.8089 8.8089 8.9146 8.9146 k = 0.3846 0.4885-0.0000 ( 6915 PWs) bands (ev): -5.1283 -5.1283 -5.1222 -5.1222 -5.0533 -5.0533 -5.0184 -5.0184 -4.4000 -4.4000 -4.3875 -4.3875 -4.2881 -4.2881 -4.1957 -4.1957 -3.8541 -3.8541 -3.7944 -3.7944 -3.4288 -3.4288 -1.4854 -1.4854 0.9993 0.9993 1.2403 1.2403 1.3810 1.3810 1.6635 1.6635 1.8721 1.8721 1.8956 1.8956 2.0573 2.0573 2.6593 2.6593 2.7391 2.7391 2.8721 2.8721 2.9811 2.9811 3.1644 3.1644 3.2696 3.2696 3.9794 3.9794 4.1936 4.1936 5.0221 5.0221 5.1635 5.1635 5.3699 5.3699 5.5880 5.5880 5.9768 5.9768 6.4203 6.4203 7.5577 7.5577 7.7490 7.7490 8.1607 8.1607 8.1686 8.1686 8.8021 8.8021 8.8627 8.8627 8.9792 8.9792 k = 0.3782 0.4996-0.0000 ( 6907 PWs) bands (ev): -5.0847 -5.0847 -5.0786 -5.0786 -5.0097 -5.0097 -4.9751 -4.9751 -4.4143 -4.4143 -4.4013 -4.4013 -4.3118 -4.3118 -4.2347 -4.2347 -3.8665 -3.8665 -3.8037 -3.8037 -3.4572 -3.4572 -1.5023 -1.5023 1.0018 1.0018 1.2122 1.2122 1.3543 1.3543 1.6391 1.6391 1.8914 1.8914 1.9031 1.9031 2.0262 2.0262 2.6549 2.6549 2.7192 2.7192 2.8158 2.8158 2.9614 2.9614 3.1533 3.1533 3.2999 3.2999 3.9513 3.9513 4.1282 4.1282 5.0222 5.0222 5.1856 5.1856 5.3702 5.3702 5.6004 5.6004 5.9445 5.9445 6.3977 6.3977 7.5954 7.5954 7.7680 7.7680 8.1827 8.1827 8.1900 8.1900 8.7355 8.7355 8.9935 8.9935 9.0689 9.0689 k = 0.3718 0.5107-0.0000 ( 6911 PWs) bands (ev): -5.0393 -5.0393 -5.0334 -5.0334 -4.9642 -4.9642 -4.9302 -4.9302 -4.4339 -4.4339 -4.4199 -4.4199 -4.3408 -4.3408 -4.2769 -4.2769 -3.8750 -3.8750 -3.8118 -3.8118 -3.4823 -3.4823 -1.5181 -1.5181 1.0044 1.0044 1.1819 1.1819 1.3270 1.3270 1.6216 1.6216 1.9113 1.9113 1.9249 1.9249 2.0050 2.0050 2.6070 2.6070 2.6615 2.6615 2.8099 2.8099 2.9607 2.9607 3.1581 3.1581 3.3367 3.3367 3.9120 3.9120 4.0551 4.0551 5.0255 5.0255 5.2135 5.2135 5.3812 5.3812 5.6167 5.6167 5.8960 5.8960 6.3625 6.3625 7.6488 7.6488 7.7976 7.7976 8.2051 8.2051 8.2125 8.2125 8.6498 8.6498 9.0091 9.0091 9.1464 9.1464 k = 0.3654 0.5218-0.0000 ( 6917 PWs) bands (ev): -4.9925 -4.9925 -4.9869 -4.9869 -4.9171 -4.9171 -4.8838 -4.8838 -4.4592 -4.4592 -4.4436 -4.4436 -4.3746 -4.3746 -4.3218 -4.3218 -3.8795 -3.8795 -3.8190 -3.8190 -3.5038 -3.5038 -1.5324 -1.5324 1.0072 1.0072 1.1520 1.1520 1.2999 1.2999 1.6108 1.6108 1.9314 1.9314 1.9568 1.9568 1.9947 1.9947 2.5319 2.5319 2.5844 2.5844 2.8336 2.8336 2.9760 2.9760 3.1706 3.1706 3.3763 3.3763 3.8636 3.8636 3.9781 3.9781 5.0341 5.0341 5.2459 5.2459 5.3991 5.3991 5.6339 5.6339 5.8368 5.8368 6.3186 6.3186 7.7133 7.7133 7.8365 7.8365 8.2284 8.2284 8.2356 8.2356 8.5570 8.5570 8.9284 8.9284 9.2750 9.2750 k = 0.3590 0.5329-0.0000 ( 6915 PWs) bands (ev): -4.9446 -4.9446 -4.9395 -4.9395 -4.8685 -4.8685 -4.8366 -4.8366 -4.4901 -4.4901 -4.4727 -4.4727 -4.4124 -4.4124 -4.3684 -4.3684 -3.8803 -3.8803 -3.8256 -3.8256 -3.5212 -3.5212 -1.5448 -1.5448 1.0104 1.0104 1.1246 1.1246 1.2743 1.2743 1.6057 1.6057 1.9554 1.9554 1.9794 1.9794 2.0082 2.0082 2.4510 2.4510 2.5008 2.5008 2.8666 2.8666 2.9988 2.9988 3.1849 3.1849 3.4171 3.4171 3.8095 3.8095 3.9012 3.9012 5.0482 5.0482 5.2814 5.2814 5.4206 5.4206 5.6474 5.6474 5.7743 5.7743 6.2712 6.2712 7.7839 7.7839 7.8826 7.8826 8.2525 8.2525 8.2593 8.2593 8.4630 8.4630 8.8348 8.8348 9.3988 9.3988 k = 0.3526 0.5440-0.0000 ( 6917 PWs) bands (ev): -4.8966 -4.8966 -4.8922 -4.8922 -4.8192 -4.8192 -4.7894 -4.7894 -4.5263 -4.5263 -4.5067 -4.5067 -4.4525 -4.4525 -4.4153 -4.4153 -3.8779 -3.8779 -3.8321 -3.8321 -3.5344 -3.5344 -1.5551 -1.5551 1.0134 1.0134 1.1017 1.1017 1.2517 1.2517 1.6048 1.6048 1.9812 1.9812 1.9886 1.9886 2.0481 2.0481 2.3723 2.3723 2.4177 2.4177 2.9023 2.9023 3.0234 3.0234 3.1969 3.1969 3.4575 3.4575 3.7547 3.7547 3.8292 3.8292 5.0663 5.0663 5.3184 5.3184 5.4415 5.4415 5.6470 5.6470 5.7219 5.7219 6.2260 6.2260 7.8558 7.8558 7.9336 7.9336 8.2690 8.2690 8.2858 8.2858 8.3789 8.3789 8.7348 8.7348 9.5106 9.5106 k = 0.3462 0.5551-0.0000 ( 6907 PWs) bands (ev): -4.8509 -4.8509 -4.8466 -4.8466 -4.7707 -4.7707 -4.7446 -4.7446 -4.5659 -4.5659 -4.5440 -4.5440 -4.4920 -4.4920 -4.4598 -4.4598 -3.8727 -3.8727 -3.8390 -3.8390 -3.5434 -3.5434 -1.5629 -1.5629 1.0157 1.0157 1.0849 1.0849 1.2337 1.2337 1.6066 1.6066 1.9968 1.9968 2.0120 2.0120 2.0939 2.0939 2.2997 2.2997 2.3408 2.3408 2.9364 2.9364 3.0461 3.0461 3.2033 3.2033 3.4942 3.4942 3.7068 3.7068 3.7669 3.7669 5.0859 5.0859 5.3552 5.3552 5.4548 5.4548 5.6204 5.6204 5.6987 5.6987 6.1891 6.1891 7.9238 7.9238 7.9864 7.9864 8.2341 8.2341 8.3178 8.3178 8.3512 8.3512 8.6316 8.6316 9.6028 9.6028 k = 0.3397 0.5662-0.0000 ( 6907 PWs) bands (ev): -4.8135 -4.8135 -4.8076 -4.8076 -4.7271 -4.7271 -4.7084 -4.7084 -4.6035 -4.6035 -4.5790 -4.5790 -4.5251 -4.5251 -4.4970 -4.4970 -3.8652 -3.8652 -3.8468 -3.8468 -3.5487 -3.5487 -1.5678 -1.5678 1.0165 1.0165 1.0753 1.0753 1.2221 1.2221 1.6091 1.6091 2.0126 2.0126 2.0330 2.0330 2.1416 2.1416 2.2365 2.2365 2.2794 2.2794 2.9633 2.9633 3.0638 3.0638 3.2022 3.2022 3.5198 3.5198 3.6782 3.6782 3.7198 3.7198 5.1026 5.1026 5.3888 5.3888 5.4502 5.4502 5.5962 5.5962 5.6900 5.6900 6.1657 6.1657 7.9831 7.9831 8.0370 8.0370 8.1540 8.1540 8.3535 8.3535 8.3813 8.3813 8.5280 8.5280 9.6647 9.6647 k = 0.3333 0.5774-0.0000 ( 6903 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5396 -4.5396 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0163 1.0163 1.0724 1.0724 1.2181 1.2181 1.6105 1.6105 2.0273 2.0273 2.0353 2.0353 2.1850 2.1850 2.1883 2.1883 2.2533 2.2533 2.9743 2.9743 3.0720 3.0720 3.1987 3.1987 3.5269 3.5269 3.6763 3.6763 3.6966 3.6966 5.1100 5.1100 5.4072 5.4072 5.4381 5.4381 5.5912 5.5912 5.6854 5.6854 6.1580 6.1580 8.0190 8.0190 8.0732 8.0732 8.0906 8.0906 8.3836 8.3836 8.4222 8.4222 8.4455 8.4455 9.6879 9.6879 k = 0.3333 0.5774-0.0000 ( 6903 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5396 -4.5396 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0163 1.0163 1.0724 1.0724 1.2181 1.2181 1.6105 1.6105 2.0273 2.0273 2.0353 2.0353 2.1850 2.1850 2.1883 2.1883 2.2533 2.2533 2.9743 2.9743 3.0720 3.0720 3.1987 3.1987 3.5269 3.5269 3.6763 3.6763 3.6966 3.6966 5.1100 5.1100 5.4072 5.4072 5.4381 5.4381 5.5912 5.5912 5.6854 5.6854 6.1580 6.1580 8.0190 8.0190 8.0732 8.0732 8.0906 8.0906 8.3836 8.3836 8.4222 8.4222 8.4455 8.4455 9.6879 9.6879 k = 0.3269 0.5662-0.0000 ( 6907 PWs) bands (ev): -4.8156 -4.8156 -4.8099 -4.8099 -4.7267 -4.7267 -4.7077 -4.7077 -4.6032 -4.6032 -4.5790 -4.5790 -4.5227 -4.5227 -4.4960 -4.4960 -3.8668 -3.8668 -3.8454 -3.8454 -3.5488 -3.5488 -1.5677 -1.5677 1.0172 1.0172 1.0747 1.0747 1.2222 1.2222 1.6084 1.6084 1.9977 1.9977 2.0464 2.0464 2.1571 2.1571 2.2247 2.2247 2.2776 2.2776 2.9621 2.9621 3.0590 3.0590 3.2082 3.2082 3.5262 3.5262 3.6704 3.6704 3.7213 3.7213 5.1003 5.1003 5.3980 5.3980 5.4448 5.4448 5.5927 5.5927 5.6931 5.6931 6.1647 6.1647 7.9665 7.9665 8.0896 8.0896 8.1181 8.1181 8.3119 8.3119 8.4486 8.4486 8.5024 8.5024 9.6638 9.6638 k = 0.3205 0.5551-0.0000 ( 6905 PWs) bands (ev): -4.8631 -4.8631 -4.8580 -4.8580 -4.7718 -4.7718 -4.7441 -4.7441 -4.5607 -4.5607 -4.5400 -4.5400 -4.4799 -4.4799 -4.4546 -4.4546 -3.8794 -3.8794 -3.8339 -3.8339 -3.5444 -3.5444 -1.5621 -1.5621 1.0213 1.0213 1.0807 1.0807 1.2342 1.2342 1.6011 1.6011 1.9462 1.9462 2.0509 2.0509 2.1562 2.1562 2.2664 2.2664 2.3273 2.3273 2.9280 2.9280 3.0197 3.0197 3.2384 3.2384 3.5321 3.5321 3.6705 3.6705 3.7658 3.7658 5.0712 5.0712 5.3953 5.3953 5.4394 5.4394 5.6021 5.6021 5.7157 5.7157 6.1820 6.1820 7.8903 7.8903 8.1177 8.1177 8.1372 8.1372 8.2203 8.2203 8.5015 8.5015 8.5792 8.5792 9.6094 9.6094 k = 0.3141 0.5440-0.0000 ( 6905 PWs) bands (ev): -4.9254 -4.9254 -4.9183 -4.9183 -4.8267 -4.8267 -4.7928 -4.7928 -4.5086 -4.5086 -4.4905 -4.4905 -4.4248 -4.4248 -4.4033 -4.4033 -3.8939 -3.8939 -3.8217 -3.8217 -3.5373 -3.5373 -1.5525 -1.5525 1.0296 1.0296 1.0904 1.0904 1.2531 1.2531 1.5876 1.5876 1.8906 1.8906 2.0507 2.0507 2.1786 2.1786 2.3154 2.3154 2.3842 2.3842 2.8786 2.8786 2.9636 2.9636 3.2818 3.2818 3.5478 3.5478 3.6780 3.6780 3.8172 3.8172 5.0287 5.0287 5.3874 5.3874 5.4329 5.4329 5.6243 5.6243 5.7467 5.7467 6.2057 6.2057 7.8185 7.8185 8.0930 8.0930 8.1445 8.1445 8.1809 8.1809 8.5620 8.5620 8.6636 8.6636 9.5368 9.5368 k = 0.3077 0.5329-0.0000 ( 6901 PWs) bands (ev): -4.9946 -4.9946 -4.9850 -4.9850 -4.8871 -4.8871 -4.8476 -4.8476 -4.4530 -4.4530 -4.4363 -4.4363 -4.3645 -4.3645 -4.3474 -4.3474 -3.9098 -3.9098 -3.8089 -3.8089 -3.5278 -3.5278 -1.5388 -1.5388 1.0428 1.0428 1.1041 1.1041 1.2778 1.2778 1.5684 1.5684 1.8372 1.8372 2.0564 2.0564 2.2121 2.2121 2.3694 2.3694 2.4436 2.4436 2.8211 2.8211 2.9000 2.9000 3.3320 3.3320 3.5708 3.5708 3.6889 3.6889 3.8723 3.8723 4.9817 4.9817 5.3526 5.3526 5.4523 5.4523 5.6543 5.6543 5.7815 5.7815 6.2325 6.2325 7.7545 7.7545 8.0076 8.0076 8.1595 8.1595 8.1852 8.1852 8.6281 8.6281 8.7522 8.7522 9.4538 9.4538 k = 0.3013 0.5218-0.0000 ( 6905 PWs) bands (ev): -5.0678 -5.0678 -5.0555 -5.0555 -4.9514 -4.9514 -4.9062 -4.9062 -4.3970 -4.3970 -4.3800 -4.3800 -4.3023 -4.3023 -4.2885 -4.2885 -3.9262 -3.9262 -3.7953 -3.7953 -3.5157 -3.5157 -1.5208 -1.5208 1.0610 1.0610 1.1222 1.1222 1.3068 1.3068 1.5455 1.5455 1.7891 1.7891 2.0714 2.0714 2.2496 2.2496 2.4266 2.4266 2.5034 2.5034 2.7619 2.7619 2.8354 2.8354 3.3863 3.3863 3.5978 3.5978 3.6997 3.6997 3.9299 3.9299 4.9368 4.9368 5.3110 5.3110 5.4813 5.4813 5.6870 5.6870 5.8174 5.8174 6.2593 6.2593 7.6999 7.6999 7.9216 7.9216 8.1688 8.1688 8.1898 8.1898 8.6981 8.6981 8.8425 8.8425 9.3652 9.3652 k = 0.2949 0.5107-0.0000 ( 6903 PWs) bands (ev): -5.1435 -5.1435 -5.1284 -5.1284 -5.0184 -5.0184 -4.9673 -4.9673 -4.3438 -4.3438 -4.3230 -4.3230 -4.2420 -4.2420 -4.2253 -4.2253 -3.9413 -3.9413 -3.7810 -3.7810 -3.5009 -3.5009 -1.4985 -1.4985 1.0841 1.0841 1.1452 1.1452 1.3389 1.3389 1.5214 1.5214 1.7480 1.7480 2.0947 2.0947 2.2862 2.2862 2.4846 2.4846 2.5592 2.5592 2.7076 2.7076 2.7777 2.7777 3.4431 3.4431 3.6255 3.6255 3.7081 3.7081 3.9893 3.9893 4.8981 4.8981 5.2721 5.2721 5.5122 5.5122 5.7202 5.7202 5.8530 5.8530 6.2842 6.2842 7.6560 7.6560 7.8420 7.8420 8.1724 8.1724 8.1910 8.1910 8.7707 8.7707 8.9319 8.9319 9.2746 9.2746 k = 0.2885 0.4996-0.0000 ( 6911 PWs) bands (ev): -5.2210 -5.2210 -5.2029 -5.2029 -5.0875 -5.0875 -5.0304 -5.0304 -4.2975 -4.2975 -4.2662 -4.2662 -4.1856 -4.1856 -4.1580 -4.1580 -3.9515 -3.9515 -3.7652 -3.7652 -3.4829 -3.4829 -1.4719 -1.4719 1.1119 1.1119 1.1730 1.1730 1.3719 1.3719 1.4985 1.4985 1.7158 1.7158 2.1242 2.1242 2.3162 2.3162 2.5373 2.5373 2.5957 2.5957 2.6709 2.6709 2.7445 2.7445 3.5014 3.5014 3.6506 3.6506 3.7131 3.7131 4.0503 4.0503 4.8682 4.8682 5.2403 5.2403 5.5420 5.5420 5.7527 5.7527 5.8871 5.8871 6.3055 6.3055 7.6230 7.6230 7.7718 7.7718 8.1710 8.1710 8.1887 8.1887 8.8445 8.8445 9.0141 9.0141 9.1891 9.1891 k = 0.2821 0.4885-0.0000 ( 6907 PWs) bands (ev): -5.2995 -5.2995 -5.2785 -5.2785 -5.1582 -5.1582 -5.0951 -5.0951 -4.2637 -4.2637 -4.2109 -4.2109 -4.1336 -4.1336 -4.0882 -4.0882 -3.9507 -3.9507 -3.7472 -3.7472 -3.4611 -3.4611 -1.4411 -1.4411 1.1439 1.1439 1.2054 1.2054 1.4032 1.4032 1.4795 1.4795 1.6948 1.6948 2.1566 2.1566 2.3326 2.3326 2.5478 2.5478 2.6106 2.6106 2.6738 2.6738 2.7636 2.7636 3.5601 3.5601 3.6693 3.6693 3.7164 3.7164 4.1125 4.1125 4.8486 4.8486 5.2183 5.2183 5.5685 5.5685 5.7838 5.7838 5.9190 5.9190 6.3223 6.3223 7.5993 7.5993 7.7150 7.7150 8.1648 8.1648 8.1828 8.1828 8.9182 8.9182 9.0402 9.0402 9.1580 9.1580 k = 0.2756 0.4774-0.0000 ( 6907 PWs) bands (ev): -5.3789 -5.3789 -5.3549 -5.3549 -5.2301 -5.2301 -5.1610 -5.1610 -4.2482 -4.2482 -4.1589 -4.1589 -4.0874 -4.0874 -4.0170 -4.0170 -3.9324 -3.9324 -3.7256 -3.7256 -3.4349 -3.4349 -1.4062 -1.4062 1.1796 1.1796 1.2418 1.2418 1.4272 1.4272 1.4691 1.4691 1.6878 1.6878 2.1859 2.1859 2.3332 2.3332 2.5072 2.5072 2.6374 2.6374 2.7162 2.7162 2.8186 2.8186 3.6154 3.6154 3.6785 3.6785 3.7230 3.7230 4.1757 4.1757 4.8400 4.8400 5.2081 5.2081 5.5898 5.5898 5.8133 5.8133 5.9482 5.9482 6.3341 6.3341 7.5801 7.5801 7.6783 7.6783 8.1544 8.1544 8.1736 8.1736 8.9610 8.9610 8.9976 8.9976 9.2224 9.2224 k = 0.2692 0.4663-0.0000 ( 6917 PWs) bands (ev): -5.4585 -5.4585 -5.4316 -5.4316 -5.3029 -5.3029 -5.2278 -5.2278 -4.2530 -4.2530 -4.1121 -4.1121 -4.0476 -4.0476 -3.9452 -3.9452 -3.8949 -3.8949 -3.6989 -3.6989 -3.4032 -3.4032 -1.3675 -1.3675 1.2179 1.2179 1.2807 1.2807 1.4360 1.4360 1.4753 1.4753 1.6968 1.6968 2.2005 2.2005 2.3295 2.3295 2.4626 2.4626 2.6748 2.6748 2.7768 2.7768 2.8852 2.8852 3.6445 3.6445 3.6972 3.6972 3.7361 3.7361 4.2396 4.2396 4.8428 4.8428 5.2106 5.2106 5.6043 5.6043 5.8408 5.8408 5.9741 5.9741 6.3412 6.3412 7.5595 7.5595 7.6686 7.6686 8.1399 8.1399 8.1610 8.1610 8.8752 8.8752 9.0630 9.0630 9.2575 9.2575 k = 0.2628 0.4552-0.0000 ( 6905 PWs) bands (ev): -5.5383 -5.5383 -5.5084 -5.5084 -5.3761 -5.3761 -5.2953 -5.2953 -4.2741 -4.2741 -4.0725 -4.0725 -4.0138 -4.0138 -3.8732 -3.8732 -3.8431 -3.8431 -3.6651 -3.6651 -3.3655 -3.3655 -1.3253 -1.3253 1.2572 1.2572 1.3192 1.3192 1.4405 1.4405 1.4916 1.4916 1.7217 1.7217 2.1899 2.1899 2.3287 2.3287 2.4360 2.4360 2.7241 2.7241 2.8422 2.8422 2.9563 2.9563 3.6357 3.6357 3.7232 3.7232 3.7708 3.7708 4.3041 4.3041 4.8566 4.8566 5.2260 5.2260 5.6109 5.6109 5.8662 5.8662 5.9968 5.9968 6.3442 6.3442 7.5405 7.5405 7.6827 7.6827 8.1218 8.1218 8.1453 8.1453 8.7842 8.7842 9.1183 9.1183 9.1907 9.1907 k = 0.2564 0.4441-0.0000 ( 6921 PWs) bands (ev): -5.6178 -5.6178 -5.5852 -5.5852 -5.4497 -5.4497 -5.3633 -5.3633 -4.3063 -4.3063 -4.0415 -4.0415 -3.9862 -3.9862 -3.8017 -3.8017 -3.7829 -3.7829 -3.6228 -3.6228 -3.3211 -3.3211 -1.2798 -1.2798 1.2947 1.2947 1.3516 1.3516 1.4567 1.4567 1.5128 1.5128 1.7589 1.7589 2.1623 2.1623 2.3116 2.3116 2.4484 2.4484 2.7813 2.7813 2.9086 2.9086 3.0298 3.0298 3.6174 3.6174 3.7292 3.7292 3.8281 3.8281 4.3689 4.3689 4.8809 4.8809 5.2536 5.2536 5.6088 5.6088 5.8888 5.8888 6.0164 6.0164 6.3443 6.3443 7.5297 7.5297 7.7136 7.7136 8.1002 8.1002 8.1265 8.1265 8.6942 8.6942 9.0901 9.0901 9.1522 9.1522 k = 0.2500 0.4330-0.0000 ( 6921 PWs) bands (ev): -5.6970 -5.6970 -5.6616 -5.6616 -5.5233 -5.5233 -5.4316 -5.4316 -4.3458 -4.3458 -4.0196 -4.0196 -3.9651 -3.9651 -3.7311 -3.7311 -3.7180 -3.7180 -3.5715 -3.5715 -3.2700 -3.2700 -1.2313 -1.2313 1.3274 1.3274 1.3739 1.3739 1.4902 1.4902 1.5429 1.5429 1.8039 1.8039 2.1299 2.1299 2.2829 2.2829 2.4886 2.4886 2.8427 2.8427 2.9738 2.9738 3.1050 3.1050 3.5982 3.5982 3.7282 3.7282 3.8902 3.8902 4.4338 4.4338 4.9148 4.9148 5.2921 5.2921 5.5984 5.5984 5.9073 5.9073 6.0334 6.0334 6.3430 6.3430 7.5302 7.5302 7.7561 7.7561 8.0757 8.0757 8.1049 8.1049 8.6064 8.6064 9.0076 9.0076 9.1079 9.1079 k = 0.2436 0.4219-0.0000 ( 6941 PWs) bands (ev): -5.7756 -5.7756 -5.7375 -5.7375 -5.5967 -5.5967 -5.4998 -5.4998 -4.3902 -4.3902 -4.0064 -4.0064 -3.9507 -3.9507 -3.6617 -3.6617 -3.6503 -3.6503 -3.5118 -3.5118 -3.2125 -3.2125 -1.1802 -1.1802 1.3533 1.3533 1.3899 1.3899 1.5373 1.5373 1.5856 1.5856 1.8526 1.8526 2.0992 2.0992 2.2573 2.2573 2.5394 2.5394 2.9060 2.9060 3.0363 3.0363 3.1814 3.1814 3.5824 3.5824 3.7244 3.7244 3.9535 3.9535 4.4986 4.4986 4.9574 4.9574 5.3399 5.3399 5.5806 5.5806 5.9202 5.9202 6.0490 6.0490 6.3417 6.3417 7.5424 7.5424 7.8067 7.8067 8.0491 8.0491 8.0807 8.0807 8.5215 8.5215 8.9209 8.9209 9.0552 9.0552 k = 0.2372 0.4108-0.0000 ( 6935 PWs) bands (ev): -5.8534 -5.8534 -5.8128 -5.8128 -5.6697 -5.6697 -5.5680 -5.5680 -4.4380 -4.4380 -4.0006 -4.0006 -3.9425 -3.9425 -3.5936 -3.5936 -3.5812 -3.5812 -3.4451 -3.4451 -3.1491 -3.1491 -1.1269 -1.1269 1.3737 1.3737 1.4044 1.4044 1.5927 1.5927 1.6400 1.6400 1.9013 1.9013 2.0735 2.0735 2.2419 2.2419 2.5943 2.5943 2.9686 2.9686 3.0944 3.0944 3.2584 3.2584 3.5737 3.5737 3.7209 3.7209 4.0169 4.0169 4.5632 4.5632 5.0076 5.0076 5.3949 5.3949 5.5571 5.5571 5.9258 5.9258 6.0645 6.0645 6.3420 6.3420 7.5656 7.5656 7.8605 7.8605 8.0231 8.0231 8.0547 8.0547 8.4401 8.4401 8.8342 8.8342 9.0014 9.0014 k = 0.2308 0.3997-0.0000 ( 6927 PWs) bands (ev): -5.9302 -5.9302 -5.8873 -5.8873 -5.7421 -5.7421 -5.6358 -5.6358 -4.4883 -4.4883 -4.0011 -4.0011 -3.9400 -3.9400 -3.5265 -3.5265 -3.5116 -3.5116 -3.3733 -3.3733 -3.0805 -3.0805 -1.0716 -1.0716 1.3919 1.3919 1.4188 1.4188 1.6545 1.6545 1.7026 1.7026 1.9467 1.9467 2.0548 2.0548 2.2410 2.2410 2.6505 2.6505 3.0272 3.0272 3.1474 3.1474 3.3358 3.3358 3.5752 3.5752 3.7213 3.7213 4.0799 4.0799 4.6273 4.6273 5.0639 5.0639 5.4530 5.4530 5.5323 5.5323 5.9237 5.9237 6.0809 6.0809 6.3446 6.3446 7.5979 7.5979 7.9039 7.9039 8.0065 8.0065 8.0303 8.0303 8.3630 8.3630 8.7485 8.7485 8.9481 8.9481 k = 0.2244 0.3886-0.0000 ( 6919 PWs) bands (ev): -6.0060 -6.0060 -5.9608 -5.9608 -5.8138 -5.8138 -5.7032 -5.7032 -4.5403 -4.5403 -4.0067 -4.0067 -3.9426 -3.9426 -3.4606 -3.4606 -3.4421 -3.4421 -3.2977 -3.2977 -3.0077 -3.0077 -1.0149 -1.0149 1.4101 1.4101 1.4338 1.4338 1.7213 1.7213 1.7699 1.7699 1.9868 1.9868 2.0449 2.0449 2.2577 2.2577 2.7062 2.7062 3.0774 3.0774 3.1969 3.1969 3.4131 3.4131 3.5884 3.5884 3.7301 3.7301 4.1420 4.1420 4.6907 4.6907 5.1249 5.1249 5.4805 5.4805 5.5396 5.5396 5.9152 5.9152 6.0984 6.0984 6.3498 6.3498 7.6366 7.6366 7.9066 7.9066 7.9909 7.9909 8.0465 8.0465 8.2908 8.2908 8.6645 8.6645 8.8960 8.8960 k = 0.2179 0.3775-0.0000 ( 6925 PWs) bands (ev): -6.0807 -6.0807 -6.0333 -6.0333 -5.8846 -5.8846 -5.7699 -5.7699 -4.5936 -4.5936 -4.0165 -4.0165 -3.9497 -3.9497 -3.3957 -3.3957 -3.3731 -3.3731 -3.2196 -3.2196 -2.9313 -2.9313 -0.9570 -0.9570 1.4293 1.4293 1.4501 1.4501 1.7918 1.7918 1.8386 1.8386 2.0212 2.0212 2.0469 2.0469 2.2917 2.2917 2.7598 2.7598 3.1150 3.1150 3.2463 3.2463 3.4897 3.4897 3.6123 3.6123 3.7520 3.7520 4.2028 4.2028 4.7533 4.7533 5.1886 5.1886 5.4561 5.4561 5.6007 5.6007 5.9030 5.9030 6.1165 6.1165 6.3573 6.3573 7.6771 7.6771 7.8788 7.8788 7.9646 7.9646 8.1054 8.1054 8.2244 8.2244 8.5828 8.5828 8.8458 8.8458 k = 0.2115 0.3664-0.0000 ( 6915 PWs) bands (ev): -6.1540 -6.1540 -6.1045 -6.1045 -5.9544 -5.9544 -5.8358 -5.8358 -4.6477 -4.6477 -4.0297 -4.0297 -3.9605 -3.9605 -3.3322 -3.3322 -3.3051 -3.3051 -3.1399 -3.1399 -2.8521 -2.8521 -0.8983 -0.8983 1.4490 1.4490 1.4689 1.4689 1.8645 1.8645 1.9049 1.9049 2.0448 2.0448 2.0736 2.0736 2.3394 2.3394 2.8099 2.8099 3.1405 3.1405 3.2970 3.2970 3.5645 3.5645 3.6461 3.6461 3.7896 3.7896 4.2620 4.2620 4.8149 4.8149 5.2515 5.2515 5.4289 5.4289 5.6674 5.6674 5.8912 5.8912 6.1346 6.1346 6.3668 6.3668 7.7110 7.7110 7.8429 7.8429 7.9436 7.9436 8.1632 8.1632 8.1746 8.1746 8.5043 8.5043 8.7984 8.7984 k = 0.2051 0.3553-0.0000 ( 6915 PWs) bands (ev): -6.2258 -6.2258 -6.1745 -6.1745 -6.0230 -6.0230 -5.9008 -5.9008 -4.7023 -4.7023 -4.0458 -4.0458 -3.9746 -3.9746 -3.2703 -3.2703 -3.2386 -3.2386 -3.0593 -3.0593 -2.7705 -2.7705 -0.8390 -0.8390 1.4689 1.4689 1.4914 1.4914 1.9357 1.9357 1.9673 1.9673 2.0661 2.0661 2.1245 2.1245 2.3963 2.3963 2.8553 2.8553 3.1588 3.1588 3.3477 3.3477 3.6352 3.6352 3.6916 3.6916 3.8419 3.8419 4.3189 4.3189 4.8753 4.8753 5.3019 5.3019 5.4161 5.4161 5.7283 5.7283 5.8869 5.8869 6.1526 6.1526 6.3780 6.3780 7.7240 7.7240 7.8062 7.8062 7.9379 7.9379 8.1138 8.1138 8.2398 8.2398 8.4311 8.4311 8.7554 8.7554 k = 0.1987 0.3442-0.0000 ( 6917 PWs) bands (ev): -6.2962 -6.2962 -6.2431 -6.2431 -6.0904 -6.0904 -5.9648 -5.9648 -4.7570 -4.7570 -4.0643 -4.0643 -3.9914 -3.9914 -3.2101 -3.2101 -3.1738 -3.1738 -2.9782 -2.9782 -2.6873 -2.6873 -0.7795 -0.7795 1.4892 1.4892 1.5178 1.5178 1.9966 1.9966 2.0338 2.0338 2.0953 2.0953 2.1920 2.1920 2.4586 2.4586 2.8952 2.8952 3.1753 3.1753 3.3972 3.3972 3.6999 3.6999 3.7519 3.7519 3.9050 3.9050 4.3732 4.3732 4.9341 4.9341 5.3143 5.3143 5.4443 5.4443 5.7705 5.7705 5.9024 5.9024 6.1703 6.1703 6.3912 6.3912 7.7068 7.7068 7.7711 7.7711 7.9480 7.9480 8.0794 8.0794 8.2880 8.2880 8.3755 8.3755 8.7196 8.7196 k = 0.1923 0.3331-0.0000 ( 6913 PWs) bands (ev): -6.3650 -6.3650 -6.3102 -6.3102 -6.1564 -6.1564 -6.0276 -6.0276 -4.8116 -4.8116 -4.0849 -4.0849 -4.0106 -4.0106 -3.1521 -3.1521 -3.1112 -3.1112 -2.8972 -2.8972 -2.6028 -2.6028 -0.7201 -0.7201 1.5109 1.5109 1.5482 1.5482 2.0477 2.0477 2.1055 2.1055 2.1351 2.1351 2.2716 2.2716 2.5239 2.5239 2.9296 2.9296 3.1939 3.1939 3.4462 3.4462 3.7631 3.7631 3.8224 3.8224 3.9751 3.9751 4.4244 4.4244 4.9911 4.9911 5.3000 5.3000 5.5027 5.5027 5.7877 5.7877 5.9439 5.9439 6.1882 6.1882 6.4067 6.4067 7.6691 7.6691 7.7353 7.7353 7.9485 7.9485 8.0772 8.0772 8.2653 8.2653 8.3858 8.3858 8.6963 8.6963 k = 0.1859 0.3220-0.0000 ( 6897 PWs) bands (ev): -6.4321 -6.4321 -6.3757 -6.3757 -6.2210 -6.2210 -6.0892 -6.0892 -4.8659 -4.8659 -4.1071 -4.1071 -4.0317 -4.0317 -3.0963 -3.0963 -3.0510 -3.0510 -2.8166 -2.8166 -2.5174 -2.5174 -0.6608 -0.6608 1.5350 1.5350 1.5827 1.5827 2.0982 2.0982 2.1639 2.1639 2.1980 2.1980 2.3589 2.3589 2.5912 2.5912 2.9594 2.9594 3.2172 3.2172 3.4961 3.4961 3.8293 3.8293 3.8969 3.8969 4.0489 4.0489 4.4721 4.4721 5.0455 5.0455 5.2831 5.2831 5.5678 5.5678 5.7936 5.7936 5.9960 5.9960 6.2068 6.2068 6.4258 6.4258 7.6222 7.6222 7.6985 7.6985 7.9272 7.9272 8.1003 8.1003 8.2176 8.2176 8.4158 8.4158 8.6930 8.6930 k = 0.1795 0.3109-0.0000 ( 6903 PWs) bands (ev): -6.4974 -6.4974 -6.4395 -6.4395 -6.2839 -6.2839 -6.1494 -6.1494 -4.9195 -4.9195 -4.1308 -4.1308 -4.0544 -4.0544 -3.0431 -3.0431 -2.9937 -2.9937 -2.7368 -2.7368 -2.4317 -2.4317 -0.6019 -0.6019 1.5624 1.5624 1.6215 1.6215 2.1524 2.1524 2.2131 2.2131 2.2760 2.2760 2.4507 2.4507 2.6598 2.6598 2.9860 2.9860 3.2466 3.2466 3.5481 3.5481 3.8990 3.8990 3.9723 3.9723 4.1241 4.1241 4.5160 4.5160 5.0961 5.0961 5.2724 5.2724 5.6319 5.6319 5.8004 5.8004 6.0450 6.0450 6.2267 6.2267 6.4502 6.4502 7.5706 7.5706 7.6622 7.6622 7.8990 7.8990 8.0949 8.0949 8.2079 8.2079 8.4295 8.4295 8.7128 8.7128 k = 0.1731 0.2998-0.0000 ( 6891 PWs) bands (ev): -6.5610 -6.5610 -6.5016 -6.5016 -6.3453 -6.3453 -6.2082 -6.2082 -4.9725 -4.9725 -4.1555 -4.1555 -4.0783 -4.0783 -2.9927 -2.9927 -2.9393 -2.9393 -2.6581 -2.6581 -2.3459 -2.3459 -0.5434 -0.5434 1.5938 1.5938 1.6650 1.6650 2.2113 2.2113 2.2638 2.2638 2.3570 2.3570 2.5454 2.5454 2.7300 2.7300 3.0114 3.0114 3.2829 3.2829 3.6024 3.6024 3.9709 3.9709 4.0478 4.0478 4.1989 4.1989 4.5563 4.5563 5.1405 5.1405 5.2733 5.2733 5.6918 5.6918 5.8130 5.8130 6.0846 6.0846 6.2475 6.2475 6.4822 6.4822 7.5163 7.5163 7.6280 7.6280 7.8724 7.8724 8.0493 8.0493 8.2348 8.2348 8.4340 8.4340 8.7460 8.7460 k = 0.1667 0.2887-0.0000 ( 6889 PWs) bands (ev): -6.6226 -6.6226 -6.5620 -6.5620 -6.4049 -6.4049 -6.2654 -6.2654 -5.0245 -5.0245 -4.1811 -4.1811 -4.1033 -4.1033 -2.9452 -2.9452 -2.8882 -2.8882 -2.5808 -2.5808 -2.2605 -2.2605 -0.4855 -0.4855 1.6301 1.6301 1.7134 1.7134 2.2744 2.2744 2.3163 2.3163 2.4395 2.4395 2.6413 2.6413 2.8022 2.8022 3.0376 3.0376 3.3263 3.3263 3.6586 3.6586 4.0432 4.0432 4.1226 4.1226 4.2718 4.2718 4.5936 4.5936 5.1758 5.1758 5.2906 5.2906 5.7453 5.7453 5.8335 5.8335 6.1132 6.1132 6.2676 6.2676 6.5229 6.5229 7.4605 7.4605 7.5964 7.5964 7.8505 7.8505 7.9956 7.9956 8.2526 8.2526 8.4470 8.4470 8.7731 8.7731 k = 0.1603 0.2776-0.0000 ( 6885 PWs) bands (ev): -6.6823 -6.6823 -6.6204 -6.6204 -6.4627 -6.4627 -6.3210 -6.3210 -5.0755 -5.0755 -4.2073 -4.2073 -4.1290 -4.1290 -2.9008 -2.9008 -2.8406 -2.8406 -2.5052 -2.5052 -2.1758 -2.1758 -0.4282 -0.4282 1.6716 1.6716 1.7668 1.7668 2.3394 2.3394 2.3718 2.3718 2.5239 2.5239 2.7372 2.7372 2.8772 2.8772 3.0665 3.0665 3.3763 3.3763 3.7160 3.7160 4.1140 4.1140 4.1967 4.1967 4.3418 4.3418 4.6289 4.6289 5.2035 5.2035 5.3244 5.3244 5.7923 5.7923 5.8612 5.8612 6.1326 6.1326 6.2848 6.2848 6.5715 6.5715 7.4044 7.4044 7.5674 7.5674 7.8349 7.8349 7.9433 7.9433 8.2476 8.2476 8.4759 8.4759 8.7722 8.7722 k = 0.1538 0.2665-0.0000 ( 6883 PWs) bands (ev): -6.7400 -6.7400 -6.6770 -6.6770 -6.5187 -6.5187 -6.3749 -6.3749 -5.1252 -5.1252 -4.2339 -4.2339 -4.1552 -4.1552 -2.8595 -2.8595 -2.7966 -2.7966 -2.4316 -2.4316 -2.0922 -2.0922 -0.3715 -0.3715 1.7190 1.7190 1.8253 1.8253 2.4003 2.4003 2.4349 2.4349 2.6105 2.6105 2.8315 2.8315 2.9552 2.9552 3.1002 3.1002 3.4316 3.4316 3.7739 3.7739 4.1807 4.1807 4.2702 4.2702 4.4086 4.4086 4.6641 4.6641 5.2304 5.2304 5.3688 5.3688 5.8348 5.8348 5.8927 5.8927 6.1450 6.1450 6.2981 6.2981 6.6251 6.6251 7.3494 7.3494 7.5403 7.5403 7.8254 7.8254 7.8958 7.8958 8.2262 8.2262 8.5107 8.5107 8.7470 8.7470 k = 0.1474 0.2554-0.0000 ( 6865 PWs) bands (ev): -6.7956 -6.7956 -6.7315 -6.7315 -6.5727 -6.5727 -6.4270 -6.4270 -5.1736 -5.1736 -4.2608 -4.2608 -4.1817 -4.1817 -2.8215 -2.8215 -2.7562 -2.7562 -2.3602 -2.3602 -2.0099 -2.0099 -0.3154 -0.3154 1.7725 1.7725 1.8888 1.8888 2.4542 2.4542 2.5076 2.5076 2.7000 2.7000 2.9224 2.9224 3.0362 3.0362 3.1410 3.1410 3.4909 3.4909 3.8315 3.8315 4.2405 4.2405 4.3440 4.3440 4.4728 4.4728 4.7008 4.7008 5.2612 5.2612 5.4194 5.4194 5.8742 5.8742 5.9256 5.9256 6.1524 6.1524 6.3078 6.3078 6.6796 6.6796 7.2976 7.2976 7.5141 7.5141 7.8145 7.8145 7.8628 7.8628 8.1970 8.1970 8.5359 8.5359 8.7095 8.7095 k = 0.1410 0.2443-0.0000 ( 6877 PWs) bands (ev): -6.8492 -6.8492 -6.7841 -6.7841 -6.6248 -6.6248 -6.4773 -6.4773 -5.2206 -5.2206 -4.2876 -4.2876 -4.2083 -4.2083 -2.7867 -2.7867 -2.7195 -2.7195 -2.2913 -2.2913 -1.9295 -1.9295 -0.2600 -0.2600 1.8324 1.8324 1.9570 1.9570 2.5048 2.5048 2.5861 2.5861 2.7923 2.7923 3.0082 3.0082 3.1193 3.1193 3.1911 3.1911 3.5527 3.5527 3.8882 3.8882 4.2910 4.2910 4.4186 4.4186 4.5359 4.5359 4.7403 4.7403 5.2970 5.2970 5.4749 5.4749 5.9065 5.9065 5.9633 5.9633 6.1558 6.1558 6.3145 6.3145 6.7302 6.7302 7.2520 7.2520 7.4881 7.4881 7.7860 7.7860 7.8611 7.8611 8.1645 8.1645 8.5341 8.5341 8.6559 8.6559 k = 0.1346 0.2332-0.0000 ( 6873 PWs) bands (ev): -6.9006 -6.9006 -6.8346 -6.8346 -6.6749 -6.6749 -6.5257 -6.5257 -5.2660 -5.2660 -4.3144 -4.3144 -4.2348 -4.2348 -2.7552 -2.7552 -2.6865 -2.6865 -2.2251 -2.2251 -1.8511 -1.8511 -0.2053 -0.2053 1.8988 1.8988 2.0296 2.0296 2.5549 2.5549 2.6677 2.6677 2.8874 2.8874 3.0881 3.0881 3.2021 3.2021 3.2529 3.2529 3.6154 3.6154 3.9435 3.9435 4.3323 4.3323 4.4943 4.4943 4.5993 4.5993 4.7832 4.7832 5.3365 5.3365 5.5354 5.5354 5.9267 5.9267 6.0098 6.0098 6.1558 6.1558 6.3187 6.3187 6.7710 6.7710 7.2169 7.2169 7.4618 7.4618 7.7513 7.7513 7.8792 7.8792 8.1312 8.1312 8.4925 8.4925 8.5858 8.5858 k = 0.1282 0.2221-0.0000 ( 6861 PWs) bands (ev): -6.9498 -6.9498 -6.8830 -6.8830 -6.7229 -6.7229 -6.5722 -6.5722 -5.3099 -5.3099 -4.3408 -4.3408 -4.2610 -4.2610 -2.7268 -2.7268 -2.6570 -2.6570 -2.1619 -2.1619 -1.7751 -1.7751 -0.1513 -0.1513 1.9717 1.9717 2.1064 2.1064 2.6060 2.6060 2.7513 2.7513 2.9848 2.9848 3.1638 3.1638 3.2808 3.2808 3.3273 3.3273 3.6777 3.6777 3.9971 3.9971 4.3669 4.3669 4.5705 4.5705 4.6635 4.6635 4.8298 4.8298 5.3775 5.3775 5.6018 5.6018 5.9371 5.9371 6.0617 6.0617 6.1535 6.1535 6.3211 6.3211 6.7955 6.7955 7.1972 7.1972 7.4353 7.4353 7.7200 7.7200 7.9060 7.9060 8.0985 8.0985 8.4162 8.4162 8.5056 8.5056 k = 0.1218 0.2110-0.0000 ( 6849 PWs) bands (ev): -6.9969 -6.9969 -6.9292 -6.9292 -6.7688 -6.7688 -6.6166 -6.6166 -5.3519 -5.3519 -4.3667 -4.3667 -4.2868 -4.2868 -2.7014 -2.7014 -2.6310 -2.6310 -2.1017 -2.1017 -1.7018 -1.7018 -0.0982 -0.0982 2.0511 2.0511 2.1870 2.1870 2.6591 2.6591 2.8360 2.8360 3.0839 3.0839 3.2381 3.2381 3.3542 3.3542 3.4108 3.4108 3.7385 3.7385 4.0486 4.0486 4.3987 4.3987 4.6461 4.6461 4.7283 4.7283 4.8806 4.8806 5.4179 5.4179 5.6740 5.6740 5.9412 5.9412 6.1070 6.1070 6.1566 6.1566 6.3231 6.3231 6.8002 6.8002 7.1945 7.1945 7.4088 7.4088 7.6953 7.6953 7.9356 7.9356 8.0679 8.0679 8.3205 8.3205 8.4172 8.4172 k = 0.1154 0.1999-0.0000 ( 6843 PWs) bands (ev): -7.0417 -7.0417 -6.9733 -6.9733 -6.8126 -6.8126 -6.6591 -6.6591 -5.3923 -5.3923 -4.3921 -4.3921 -4.3120 -4.3120 -2.6789 -2.6789 -2.6083 -2.6083 -2.0448 -2.0448 -1.6316 -1.6316 -0.0461 -0.0461 2.1369 2.1369 2.2710 2.2710 2.7149 2.7149 2.9216 2.9216 3.1838 3.1838 3.3137 3.3137 3.4237 3.4237 3.4971 3.4971 3.7969 3.7969 4.0981 4.0981 4.4317 4.4317 4.7193 4.7193 4.7930 4.7930 4.9366 4.9366 5.4561 5.4561 5.7506 5.7506 5.9422 5.9422 6.1157 6.1157 6.1897 6.1897 6.3278 6.3278 6.7882 6.7882 7.2036 7.2036 7.3826 7.3826 7.6790 7.6790 7.9585 7.9585 8.0429 8.0429 8.2179 8.2179 8.3248 8.3248 k = 0.1090 0.1887-0.0000 ( 6839 PWs) bands (ev): -7.0842 -7.0842 -7.0151 -7.0151 -6.8541 -6.8541 -6.6994 -6.6994 -5.4307 -5.4307 -4.4167 -4.4167 -4.3365 -4.3365 -2.6592 -2.6592 -2.5886 -2.5886 -1.9912 -1.9912 -1.5646 -1.5646 0.0048 0.0048 2.2288 2.2288 2.3580 2.3580 2.7742 2.7742 3.0077 3.0077 3.2836 3.2836 3.3919 3.3919 3.4892 3.4892 3.5827 3.5827 3.8523 3.8523 4.1457 4.1457 4.4692 4.4692 4.7879 4.7879 4.8575 4.8575 4.9987 4.9987 5.4914 5.4914 5.8268 5.8268 5.9449 5.9449 6.1033 6.1033 6.2284 6.2284 6.3420 6.3420 6.7680 6.7680 7.2142 7.2142 7.3577 7.3577 7.6721 7.6721 7.9564 7.9564 8.0247 8.0247 8.1272 8.1272 8.2322 8.2322 k = 0.1026 0.1776-0.0000 ( 6843 PWs) bands (ev): -7.1244 -7.1244 -7.0547 -7.0547 -6.8935 -6.8935 -6.7377 -6.7377 -5.4672 -5.4672 -4.4405 -4.4405 -4.3602 -4.3602 -2.6420 -2.6420 -2.5718 -2.5718 -1.9411 -1.9411 -1.5011 -1.5011 0.0545 0.0545 2.3266 2.3266 2.4478 2.4478 2.8373 2.8373 3.0940 3.0940 3.3822 3.3822 3.4719 3.4719 3.5511 3.5511 3.6657 3.6657 3.9046 3.9046 4.1921 4.1921 4.5132 4.5132 4.8502 4.8502 4.9209 4.9209 5.0677 5.0677 5.5235 5.5235 5.8849 5.8849 5.9640 5.9640 6.0861 6.0861 6.2499 6.2499 6.3718 6.3718 6.7488 6.7488 7.2171 7.2171 7.3352 7.3352 7.6726 7.6726 7.9156 7.9156 7.9799 7.9799 8.0889 8.0889 8.1494 8.1494 k = 0.0962 0.1665-0.0000 ( 6843 PWs) bands (ev): -7.1624 -7.1624 -7.0921 -7.0921 -6.9306 -6.9306 -6.7737 -6.7737 -5.5018 -5.5018 -4.4634 -4.4634 -4.3830 -4.3830 -2.6271 -2.6271 -2.5576 -2.5576 -1.8944 -1.8944 -1.4413 -1.4413 0.1026 0.1026 2.4300 2.4300 2.5402 2.5402 2.9042 2.9042 3.1801 3.1801 3.4782 3.4782 3.5502 3.5502 3.6123 3.6123 3.7451 3.7451 3.9536 3.9536 4.2384 4.2384 4.5645 4.5645 4.9062 4.9062 4.9813 4.9813 5.1435 5.1435 5.5525 5.5525 5.9045 5.9045 6.0057 6.0057 6.0777 6.0777 6.2590 6.2590 6.4083 6.4083 6.7391 6.7391 7.2073 7.2073 7.3161 7.3161 7.6722 7.6722 7.8355 7.8355 7.9314 7.9314 8.0392 8.0392 8.1240 8.1240 k = 0.0897 0.1554-0.0000 ( 6833 PWs) bands (ev): -7.1979 -7.1979 -7.1271 -7.1271 -6.9654 -6.9654 -6.8076 -6.8076 -5.5343 -5.5343 -4.4852 -4.4852 -4.4047 -4.4047 -2.6144 -2.6144 -2.5457 -2.5457 -1.8513 -1.8513 -1.3854 -1.3854 0.1490 0.1490 2.5385 2.5385 2.6350 2.6350 2.9752 2.9752 3.2648 3.2648 3.5687 3.5687 3.6201 3.6201 3.6806 3.6806 3.8200 3.8200 3.9999 3.9999 4.2858 4.2858 4.6228 4.6228 4.9571 4.9571 5.0360 5.0360 5.2245 5.2245 5.5783 5.5783 5.9092 5.9092 6.0074 6.0074 6.1103 6.1103 6.2709 6.2709 6.4387 6.4387 6.7449 6.7449 7.1854 7.1854 7.3002 7.3002 7.6503 7.6503 7.7554 7.7554 7.8793 7.8793 7.9831 7.9831 8.1279 8.1279 k = 0.0833 0.1443-0.0000 ( 6839 PWs) bands (ev): -7.2311 -7.2311 -7.1598 -7.1598 -6.9979 -6.9979 -6.8393 -6.8393 -5.5648 -5.5648 -4.5058 -4.5058 -4.4252 -4.4252 -2.6037 -2.6037 -2.5359 -2.5359 -1.8117 -1.8117 -1.3335 -1.3335 0.1934 0.1934 2.6517 2.6517 2.7319 2.7319 3.0500 3.0500 3.3466 3.3466 3.6448 3.6448 3.6868 3.6868 3.7594 3.7594 3.8898 3.8898 4.0439 4.0439 4.3348 4.3348 4.6864 4.6864 5.0039 5.0039 5.0830 5.0830 5.3079 5.3079 5.6007 5.6007 5.9100 5.9100 5.9874 5.9874 6.1428 6.1428 6.3000 6.3000 6.4601 6.4601 6.7662 6.7662 7.1551 7.1551 7.2864 7.2864 7.5890 7.5890 7.6912 7.6912 7.8280 7.8280 7.9489 7.9489 8.1250 8.1250 k = 0.0769 0.1332-0.0000 ( 6833 PWs) bands (ev): -7.2619 -7.2619 -7.1902 -7.1902 -7.0281 -7.0281 -6.8687 -6.8687 -5.5931 -5.5931 -4.5253 -4.5253 -4.4446 -4.4446 -2.5946 -2.5946 -2.5279 -2.5279 -1.7756 -1.7756 -1.2856 -1.2856 0.2357 0.2357 2.7689 2.7689 2.8307 2.8307 3.1283 3.1283 3.4226 3.4226 3.6999 3.6999 3.7644 3.7644 3.8421 3.8421 3.9541 3.9541 4.0864 4.0864 4.3859 4.3859 4.7532 4.7532 5.0469 5.0469 5.1221 5.1221 5.3890 5.3890 5.6203 5.6203 5.9000 5.9000 5.9802 5.9802 6.1506 6.1506 6.3425 6.3425 6.4793 6.4793 6.7954 6.7954 7.1225 7.1225 7.2742 7.2742 7.5141 7.5141 7.6142 7.6142 7.7974 7.7974 7.9229 7.9229 8.1050 8.1050 k = 0.0705 0.1221-0.0000 ( 6837 PWs) bands (ev): -7.2903 -7.2903 -7.2182 -7.2182 -7.0560 -7.0560 -6.8959 -6.8959 -5.6193 -5.6193 -4.5434 -4.5434 -4.4627 -4.4627 -2.5871 -2.5871 -2.5215 -2.5215 -1.7428 -1.7428 -1.2419 -1.2419 0.2755 0.2755 2.8891 2.8891 2.9313 2.9313 3.2097 3.2097 3.4890 3.4890 3.7499 3.7499 3.8440 3.8440 3.9237 3.9237 4.0125 4.0125 4.1283 4.1283 4.4385 4.4385 4.8187 4.8187 5.0854 5.0854 5.1554 5.1554 5.4593 5.4593 5.6394 5.6394 5.8781 5.8781 5.9949 5.9949 6.1452 6.1452 6.3774 6.3774 6.5040 6.5040 6.8204 6.8204 7.0961 7.0961 7.2635 7.2635 7.4435 7.4435 7.5294 7.5294 7.7781 7.7781 7.8943 7.8943 8.0573 8.0573 k = 0.0641 0.1110-0.0000 ( 6821 PWs) bands (ev): -7.3163 -7.3163 -7.2438 -7.2438 -7.0815 -7.0815 -6.9208 -6.9208 -5.6434 -5.6434 -4.5602 -4.5602 -4.4794 -4.4794 -2.5810 -2.5810 -2.5164 -2.5164 -1.7134 -1.7134 -1.2023 -1.2023 0.3127 0.3127 3.0103 3.0103 3.0341 3.0341 3.2934 3.2934 3.5435 3.5435 3.8046 3.8046 3.9200 3.9200 4.0011 4.0011 4.0653 4.0653 4.1700 4.1700 4.4921 4.4921 4.8757 4.8757 5.1190 5.1190 5.1877 5.1877 5.5051 5.5051 5.6630 5.6630 5.8617 5.8617 6.0181 6.0181 6.1394 6.1394 6.3985 6.3985 6.5307 6.5307 6.8302 6.8302 7.0845 7.0845 7.2534 7.2534 7.3779 7.3779 7.4582 7.4582 7.7583 7.7583 7.8603 7.8603 7.9839 7.9839 k = 0.0577 0.0999-0.0000 ( 6823 PWs) bands (ev): -7.3398 -7.3398 -7.2670 -7.2670 -7.1046 -7.1046 -6.9433 -6.9433 -5.6652 -5.6652 -4.5755 -4.5755 -4.4947 -4.4947 -2.5759 -2.5759 -2.5126 -2.5126 -1.6872 -1.6872 -1.1668 -1.1668 0.3471 0.3471 3.1254 3.1254 3.1435 3.1435 3.3783 3.3783 3.5876 3.5876 3.8651 3.8651 3.9906 3.9906 4.0722 4.0722 4.1135 4.1135 4.2117 4.2117 4.5452 4.5452 4.9135 4.9135 5.1491 5.1491 5.2239 5.2239 5.5179 5.5179 5.6881 5.6881 5.8684 5.8684 6.0311 6.0311 6.1482 6.1482 6.4129 6.4129 6.5494 6.5494 6.8189 6.8189 7.0845 7.0845 7.2408 7.2408 7.3235 7.3235 7.4140 7.4140 7.7259 7.7259 7.8264 7.8264 7.9042 7.9042 k = 0.0513 0.0888-0.0000 ( 6815 PWs) bands (ev): -7.3609 -7.3609 -7.2879 -7.2879 -7.1253 -7.1253 -6.9636 -6.9636 -5.6848 -5.6848 -4.5894 -4.5894 -4.5085 -4.5085 -2.5719 -2.5719 -2.5096 -2.5096 -1.6642 -1.6642 -1.1354 -1.1354 0.3785 0.3785 3.2287 3.2287 3.2604 3.2604 3.4634 3.4634 3.6277 3.6277 3.9283 3.9283 4.0549 4.0549 4.1338 4.1338 4.1606 4.1606 4.2535 4.2535 4.5958 4.5958 4.9238 4.9238 5.1737 5.1737 5.2688 5.2688 5.5055 5.5055 5.7070 5.7070 5.8996 5.8996 6.0279 6.0279 6.1779 6.1779 6.4270 6.4270 6.5596 6.5596 6.7846 6.7846 7.0805 7.0805 7.2202 7.2202 7.3030 7.3030 7.3936 7.3936 7.6675 7.6675 7.8010 7.8010 7.8397 7.8397 k = 0.0449 0.0777-0.0000 ( 6809 PWs) bands (ev): -7.3796 -7.3796 -7.3063 -7.3063 -7.1436 -7.1436 -6.9814 -6.9814 -5.7021 -5.7021 -4.6017 -4.6017 -4.5208 -4.5208 -2.5687 -2.5687 -2.5074 -2.5074 -1.6441 -1.6441 -1.1080 -1.1080 0.4066 0.4066 3.3249 3.3249 3.3712 3.3712 3.5486 3.5486 3.6735 3.6735 3.9895 3.9895 4.1120 4.1120 4.1836 4.1836 4.2101 4.2101 4.2952 4.2952 4.6400 4.6400 4.9081 4.9081 5.1854 5.1854 5.3196 5.3196 5.4825 5.4825 5.7268 5.7268 5.9263 5.9263 6.0349 6.0349 6.2146 6.2146 6.4437 6.4437 6.5674 6.5674 6.7287 6.7287 7.0691 7.0691 7.1923 7.1923 7.3094 7.3094 7.3919 7.3919 7.5947 7.5947 7.7635 7.7635 7.8152 7.8152 k = 0.0385 0.0666-0.0000 ( 6811 PWs) bands (ev): -7.3958 -7.3958 -7.3222 -7.3222 -7.1595 -7.1595 -6.9970 -6.9970 -5.7172 -5.7172 -4.6125 -4.6125 -4.5315 -4.5315 -2.5663 -2.5663 -2.5058 -2.5058 -1.6270 -1.6270 -1.0844 -1.0844 0.4313 0.4313 3.4078 3.4078 3.4675 3.4675 3.6394 3.6394 3.7325 3.7325 4.0450 4.0450 4.1614 4.1614 4.2271 4.2271 4.2584 4.2584 4.3363 4.3363 4.6722 4.6722 4.8733 4.8733 5.1822 5.1822 5.3492 5.3492 5.4778 5.4778 5.7558 5.7558 5.9225 5.9225 6.0763 6.0763 6.2476 6.2476 6.4566 6.4566 6.5728 6.5728 6.6714 6.6714 7.0599 7.0599 7.1583 7.1583 7.3009 7.3009 7.4065 7.4065 7.5392 7.5392 7.7191 7.7191 7.8139 7.8139 k = 0.0321 0.0555-0.0000 ( 6805 PWs) bands (ev): -7.4095 -7.4095 -7.3358 -7.3358 -7.1730 -7.1730 -7.0101 -7.0101 -5.7299 -5.7299 -4.6217 -4.6217 -4.5407 -4.5407 -2.5644 -2.5644 -2.5047 -2.5047 -1.6127 -1.6127 -1.0647 -1.0647 0.4524 0.4524 3.4646 3.4646 3.5538 3.5538 3.7403 3.7403 3.8039 3.8039 4.0923 4.0923 4.2043 4.2043 4.2689 4.2689 4.3032 4.3032 4.3756 4.3756 4.6852 4.6852 4.8251 4.8251 5.1612 5.1612 5.3385 5.3385 5.5169 5.5169 5.7925 5.7925 5.9086 5.9086 6.1337 6.1337 6.2761 6.2761 6.4307 6.4307 6.5786 6.5786 6.6531 6.6531 7.0491 7.0491 7.1193 7.1193 7.2625 7.2625 7.4235 7.4235 7.5199 7.5199 7.6834 7.6834 7.7847 7.7847 k = 0.0256 0.0444-0.0000 ( 6817 PWs) bands (ev): -7.4207 -7.4207 -7.3468 -7.3468 -7.1840 -7.1840 -7.0209 -7.0209 -5.7404 -5.7404 -4.6292 -4.6292 -4.5482 -4.5482 -2.5629 -2.5629 -2.5040 -2.5040 -1.6012 -1.6012 -1.0487 -1.0487 0.4699 0.4699 3.4955 3.4955 3.6361 3.6361 3.8425 3.8425 3.8820 3.8820 4.1299 4.1299 4.2442 4.2442 4.3090 4.3090 4.3476 4.3476 4.4110 4.4110 4.6743 4.6743 4.7678 4.7678 5.1090 5.1090 5.3375 5.3375 5.5678 5.5678 5.8260 5.8260 5.9054 5.9054 6.1921 6.1921 6.3030 6.3030 6.3580 6.3580 6.6047 6.6047 6.6654 6.6654 7.0018 7.0018 7.1021 7.1021 7.2178 7.2178 7.4378 7.4378 7.5125 7.5125 7.6590 7.6590 7.7140 7.7140 k = 0.0192 0.0333-0.0000 ( 6809 PWs) bands (ev): -7.4294 -7.4294 -7.3555 -7.3555 -7.1926 -7.1926 -7.0293 -7.0293 -5.7486 -5.7486 -4.6351 -4.6351 -4.5540 -4.5540 -2.5619 -2.5619 -2.5035 -2.5035 -1.5923 -1.5923 -1.0364 -1.0364 0.4836 0.4836 3.5117 3.5117 3.7100 3.7100 3.9278 3.9278 3.9648 3.9648 4.1575 4.1575 4.2854 4.2854 4.3467 4.3467 4.3971 4.3971 4.4403 4.4403 4.6415 4.6415 4.7051 4.7051 5.0249 5.0249 5.3698 5.3698 5.6061 5.6061 5.8455 5.8455 5.9234 5.9234 6.2194 6.2194 6.2837 6.2837 6.3548 6.3548 6.6358 6.6358 6.6817 6.6817 6.9152 6.9152 7.1100 7.1100 7.1837 7.1837 7.4527 7.4527 7.4999 7.4999 7.6228 7.6228 7.6666 7.6666 k = 0.0128 0.0222-0.0000 ( 6797 PWs) bands (ev): -7.4357 -7.4357 -7.3616 -7.3616 -7.1987 -7.1987 -7.0353 -7.0353 -5.7544 -5.7544 -4.6394 -4.6394 -4.5583 -4.5583 -2.5613 -2.5613 -2.5032 -2.5032 -1.5860 -1.5860 -1.0276 -1.0276 0.4935 0.4935 3.5202 3.5202 3.7693 3.7693 3.9881 3.9881 4.0411 4.0411 4.1751 4.1751 4.3316 4.3316 4.3830 4.3830 4.4530 4.4530 4.4639 4.4639 4.5943 4.5943 4.6427 4.6427 4.9252 4.9252 5.4242 5.4242 5.6189 5.6189 5.8635 5.8635 5.9489 5.9489 6.1463 6.1463 6.3202 6.3202 6.4086 6.4086 6.6585 6.6585 6.6916 6.6916 6.8187 6.8187 7.1214 7.1214 7.1614 7.1614 7.4614 7.4614 7.5005 7.5005 7.5690 7.5690 7.6446 7.6446 k = 0.0064 0.0111-0.0000 ( 6781 PWs) bands (ev): -7.4394 -7.4394 -7.3653 -7.3653 -7.2024 -7.2024 -7.0389 -7.0389 -5.7579 -5.7579 -4.6419 -4.6419 -4.5608 -4.5608 -2.5609 -2.5609 -2.5030 -2.5030 -1.5822 -1.5822 -1.0224 -1.0224 0.4994 0.4994 3.5243 3.5243 3.8080 3.8080 4.0252 4.0252 4.0933 4.0933 4.1833 4.1833 4.3849 4.3849 4.4172 4.4172 4.4705 4.4705 4.4997 4.4997 4.5618 4.5618 4.5911 4.5911 4.8284 4.8284 5.4847 5.4847 5.6033 5.6033 5.8899 5.8899 5.9670 5.9670 6.0730 6.0730 6.3580 6.3580 6.4766 6.4766 6.6555 6.6555 6.6944 6.6944 6.7403 6.7403 7.1289 7.1289 7.1491 7.1491 7.4674 7.4674 7.5165 7.5165 7.5270 7.5270 7.6212 7.6212 k = 0.0000 0.0000 0.0000 ( 6775 PWs) bands (ev): -7.4407 -7.4407 -7.3666 -7.3666 -7.2036 -7.2036 -7.0401 -7.0401 -5.7591 -5.7591 -4.6427 -4.6427 -4.5616 -4.5616 -2.5607 -2.5607 -2.5030 -2.5030 -1.5809 -1.5809 -1.0206 -1.0206 0.5014 0.5014 3.5256 3.5256 3.8215 3.8215 4.0377 4.0377 4.1121 4.1121 4.1849 4.1849 4.4314 4.4314 4.4332 4.4332 4.4704 4.4704 4.4711 4.4711 4.5689 4.5689 4.5864 4.5864 4.7770 4.7770 5.5230 5.5230 5.5807 5.5807 5.9074 5.9074 5.9732 5.9732 6.0390 6.0390 6.3726 6.3726 6.5259 6.5259 6.6213 6.6213 6.6995 6.6995 6.7155 6.7155 7.1317 7.1317 7.1447 7.1447 7.4854 7.4854 7.4885 7.4885 7.5365 7.5365 7.6071 7.6071 k = 0.0000 0.0000 0.0000 ( 6775 PWs) bands (ev): -7.4407 -7.4407 -7.3666 -7.3666 -7.2036 -7.2036 -7.0401 -7.0401 -5.7591 -5.7591 -4.6427 -4.6427 -4.5616 -4.5616 -2.5607 -2.5607 -2.5030 -2.5030 -1.5809 -1.5809 -1.0206 -1.0206 0.5014 0.5014 3.5256 3.5256 3.8215 3.8215 4.0377 4.0377 4.1121 4.1121 4.1849 4.1849 4.4314 4.4314 4.4332 4.4332 4.4704 4.4704 4.4711 4.4711 4.5689 4.5689 4.5864 4.5864 4.7770 4.7770 5.5230 5.5230 5.5807 5.5807 5.9074 5.9074 5.9732 5.9732 6.0390 6.0390 6.3726 6.3726 6.5259 6.5259 6.6213 6.6213 6.6995 6.6995 6.7155 6.7155 7.1317 7.1317 7.1447 7.1447 7.4854 7.4854 7.4885 7.4885 7.5365 7.5365 7.6071 7.6071 k = 0.0000 0.0000 0.0125 ( 6781 PWs) bands (ev): -7.4402 -7.4402 -7.3675 -7.3675 -7.2026 -7.2026 -7.0407 -7.0407 -5.7588 -5.7588 -4.6495 -4.6495 -4.5544 -4.5544 -2.6009 -2.6009 -2.4570 -2.4570 -1.5933 -1.5933 -1.0139 -1.0139 0.5004 0.5004 3.5288 3.5288 3.8178 3.8178 4.0382 4.0382 4.1119 4.1119 4.1859 4.1859 4.3959 4.3959 4.4700 4.4700 4.4702 4.4702 4.4713 4.4713 4.5689 4.5689 4.5864 4.5864 4.7749 4.7749 5.5228 5.5228 5.5806 5.5806 5.9074 5.9074 5.9734 5.9734 6.0391 6.0391 6.3715 6.3715 6.5273 6.5273 6.6201 6.6201 6.7012 6.7012 6.7157 6.7157 7.1047 7.1047 7.1735 7.1735 7.4638 7.4638 7.4870 7.4870 7.5613 7.5613 7.6054 7.6054 k = 0.0000 0.0000 0.0249 ( 6781 PWs) bands (ev): -7.4390 -7.4390 -7.3703 -7.3703 -7.1996 -7.1996 -7.0423 -7.0423 -5.7582 -5.7582 -4.6646 -4.6646 -4.5382 -4.5382 -2.6542 -2.6542 -2.3863 -2.3863 -1.6280 -1.6280 -0.9960 -0.9960 0.4976 0.4976 3.5383 3.5383 3.8070 3.8070 4.0396 4.0396 4.1115 4.1115 4.1891 4.1891 4.3618 4.3618 4.4699 4.4699 4.4717 4.4717 4.5083 4.5083 4.5688 4.5688 4.5865 4.5865 4.7688 4.7688 5.5225 5.5225 5.5804 5.5804 5.9074 5.9074 5.9740 5.9740 6.0394 6.0394 6.3686 6.3686 6.5314 6.5314 6.6169 6.6169 6.7054 6.7054 6.7169 6.7169 7.0746 7.0746 7.2090 7.2090 7.4314 7.4314 7.4824 7.4824 7.6009 7.6009 7.6035 7.6035 k = 0.0000 0.0000 0.0374 ( 6781 PWs) bands (ev): -7.4370 -7.4370 -7.3744 -7.3744 -7.1953 -7.1953 -7.0447 -7.0447 -5.7572 -5.7572 -4.6813 -4.6813 -4.5199 -4.5199 -2.7012 -2.7012 -2.3101 -2.3101 -1.6801 -1.6801 -0.9722 -0.9722 0.4935 0.4935 3.5536 3.5536 3.7900 3.7900 4.0415 4.0415 4.1110 4.1110 4.1943 4.1943 4.3305 4.3305 4.4695 4.4695 4.4721 4.4721 4.5461 4.5461 4.5686 4.5686 4.5866 4.5866 4.7587 4.7587 5.5219 5.5219 5.5801 5.5801 5.9073 5.9073 5.9748 5.9748 6.0397 6.0397 6.3645 6.3645 6.5371 6.5371 6.6129 6.6129 6.7089 6.7089 6.7209 6.7209 7.0476 7.0476 7.2452 7.2452 7.4017 7.4017 7.4741 7.4741 7.5945 7.5945 7.6493 7.6493 k = 0.0000 0.0000 0.0499 ( 6775 PWs) bands (ev): -7.4345 -7.4345 -7.3790 -7.3790 -7.1905 -7.1905 -7.0475 -7.0475 -5.7561 -5.7561 -4.6963 -4.6963 -4.5030 -4.5030 -2.7396 -2.7396 -2.2309 -2.2309 -1.7441 -1.7441 -0.9481 -0.9481 0.4890 0.4890 3.5735 3.5735 3.7682 3.7682 4.0435 4.0435 4.1104 4.1104 4.2017 4.2017 4.3026 4.3026 4.4692 4.4692 4.4724 4.4724 4.5685 4.5685 4.5827 4.5827 4.5868 4.5868 4.7445 4.7445 5.5213 5.5213 5.5798 5.5798 5.9073 5.9073 5.9757 5.9757 6.0402 6.0402 6.3603 6.3603 6.5431 6.5431 6.6090 6.6090 6.7101 6.7101 6.7277 6.7277 7.0246 7.0246 7.2812 7.2812 7.3772 7.3772 7.4613 7.4613 7.5878 7.5878 7.6963 7.6963 k = 0.0000 0.0000 0.0623 ( 6806 PWs) bands (ev): -7.4320 -7.4320 -7.3835 -7.3835 -7.1861 -7.1861 -7.0501 -7.0501 -5.7551 -5.7551 -4.7079 -4.7079 -4.4898 -4.4898 -2.7680 -2.7680 -2.1504 -2.1504 -1.8155 -1.8155 -0.9279 -0.9279 0.4848 0.4848 3.5961 3.5961 3.7439 3.7439 4.0452 4.0452 4.1098 4.1098 4.2112 4.2112 4.2782 4.2782 4.4690 4.4690 4.4726 4.4726 4.5684 4.5684 4.5868 4.5868 4.6174 4.6174 4.7263 4.7263 5.5208 5.5208 5.5796 5.5796 5.9073 5.9073 5.9764 5.9764 6.0405 6.0405 6.3566 6.3566 6.5484 6.5484 6.6058 6.6058 6.7103 6.7103 6.7348 6.7348 7.0068 7.0068 7.3158 7.3158 7.3588 7.3588 7.4440 7.4440 7.5822 7.5822 7.7422 7.7422 k = 0.0000 0.0000 0.0748 ( 6818 PWs) bands (ev): -7.4299 -7.4299 -7.3868 -7.3868 -7.1831 -7.1831 -7.0521 -7.0521 -5.7545 -5.7545 -4.7152 -4.7152 -4.4813 -4.4813 -2.7854 -2.7854 -2.0718 -2.0718 -1.8893 -1.8893 -0.9147 -0.9147 0.4819 0.4819 3.6176 3.6176 3.7213 3.7213 4.0463 4.0463 4.1094 4.1094 4.2228 4.2228 4.2577 4.2577 4.4689 4.4689 4.4727 4.4727 4.5683 4.5683 4.5869 4.5869 4.6495 4.6495 4.7043 4.7043 5.5204 5.5204 5.5794 5.5794 5.9073 5.9073 5.9770 5.9770 6.0408 6.0408 6.3542 6.3542 6.5520 6.5520 6.6037 6.6037 6.7103 6.7103 6.7399 6.7399 6.9955 6.9955 7.3465 7.3465 7.3475 7.3475 7.4237 7.4237 7.5786 7.5786 7.7827 7.7827 k = 0.0000 0.0000 0.0873 ( 6824 PWs) bands (ev): -7.4291 -7.4291 -7.3881 -7.3881 -7.1820 -7.1820 -7.0528 -7.0528 -5.7542 -5.7542 -4.7177 -4.7177 -4.4784 -4.4784 -2.7913 -2.7913 -2.0196 -2.0196 -1.9400 -1.9400 -0.9100 -0.9100 0.4809 0.4809 3.6280 3.6280 3.7105 3.7105 4.0467 4.0467 4.1093 4.1093 4.2328 4.2328 4.2448 4.2448 4.4688 4.4688 4.4728 4.4728 4.5682 4.5682 4.5869 4.5869 4.6784 4.6784 4.6788 4.6788 5.5203 5.5203 5.5793 5.5793 5.9073 5.9073 5.9771 5.9771 6.0409 6.0409 6.3534 6.3534 6.5533 6.5533 6.6030 6.6030 6.7102 6.7102 6.7418 6.7418 6.9915 6.9915 7.3437 7.3437 7.3629 7.3629 7.4109 7.4109 7.5774 7.5774 7.8027 7.8027 k = 0.0000 0.0000 0.0873 ( 6824 PWs) bands (ev): -7.4291 -7.4291 -7.3881 -7.3881 -7.1820 -7.1820 -7.0528 -7.0528 -5.7542 -5.7542 -4.7177 -4.7177 -4.4784 -4.4784 -2.7913 -2.7913 -2.0196 -2.0196 -1.9400 -1.9400 -0.9100 -0.9100 0.4809 0.4809 3.6280 3.6280 3.7105 3.7105 4.0467 4.0467 4.1093 4.1093 4.2328 4.2328 4.2448 4.2448 4.4688 4.4688 4.4728 4.4728 4.5682 4.5682 4.5869 4.5869 4.6784 4.6784 4.6788 4.6788 5.5203 5.5203 5.5793 5.5793 5.9073 5.9073 5.9771 5.9771 6.0409 6.0409 6.3534 6.3534 6.5533 6.5533 6.6030 6.6030 6.7102 6.7102 6.7418 6.7418 6.9915 6.9915 7.3437 7.3437 7.3629 7.3629 7.4109 7.4109 7.5774 7.5774 7.8027 7.8027 k = 0.0111 0.0064 0.0873 ( 6826 PWs) bands (ev): -7.4279 -7.4279 -7.3868 -7.3868 -7.1808 -7.1808 -7.0516 -7.0516 -5.7531 -5.7531 -4.7168 -4.7168 -4.4776 -4.4776 -2.7912 -2.7912 -2.0202 -2.0202 -1.9406 -1.9406 -0.9122 -0.9122 0.4791 0.4791 3.6220 3.6220 3.7044 3.7044 4.0332 4.0332 4.0917 4.0917 4.2295 4.2295 4.2422 4.2422 4.4509 4.4509 4.4710 4.4710 4.5288 4.5288 4.5460 4.5460 4.7275 4.7275 4.7462 4.7462 5.4823 5.4823 5.6016 5.6016 5.8902 5.8902 5.9701 5.9701 6.0756 6.0756 6.3371 6.3371 6.4992 6.4992 6.6436 6.6436 6.7041 6.7041 6.7587 6.7587 7.0082 7.0082 7.3368 7.3368 7.3624 7.3624 7.4192 7.4192 7.5775 7.5775 7.7952 7.7952 k = 0.0222 0.0128 0.0873 ( 6808 PWs) bands (ev): -7.4241 -7.4241 -7.3831 -7.3831 -7.1771 -7.1771 -7.0479 -7.0479 -5.7496 -5.7496 -4.7142 -4.7142 -4.4751 -4.4751 -2.7909 -2.7909 -2.0220 -2.0220 -1.9425 -1.9425 -0.9188 -0.9188 0.4738 0.4738 3.6043 3.6043 3.6861 3.6861 3.9930 3.9930 4.0412 4.0412 4.2168 4.2168 4.2366 4.2366 4.4037 4.4037 4.4555 4.4555 4.4663 4.4663 4.5303 4.5303 4.8127 4.8127 4.8466 4.8466 5.4220 5.4220 5.6178 5.6178 5.8633 5.8633 5.9512 5.9512 6.1508 6.1508 6.2988 6.2988 6.4274 6.4274 6.6600 6.6600 6.6886 6.6886 6.8222 6.8222 7.0493 7.0493 7.3067 7.3067 7.3678 7.3678 7.4454 7.4454 7.5793 7.5793 7.7807 7.7807 k = 0.0333 0.0192 0.0873 ( 6802 PWs) bands (ev): -7.4179 -7.4179 -7.3769 -7.3769 -7.1710 -7.1710 -7.0419 -7.0419 -5.7437 -5.7437 -4.7098 -4.7098 -4.4711 -4.4711 -2.7905 -2.7905 -2.0251 -2.0251 -1.9457 -1.9457 -0.9297 -0.9297 0.4649 0.4649 3.5748 3.5748 3.6548 3.6548 3.9270 3.9270 3.9673 3.9673 4.1948 4.1948 4.2269 4.2269 4.3493 4.3493 4.4005 4.4005 4.4554 4.4554 4.5258 4.5258 4.8970 4.8970 4.9431 4.9431 5.3692 5.3692 5.6089 5.6089 5.8403 5.8403 5.9226 5.9226 6.2373 6.2373 6.2618 6.2618 6.3622 6.3622 6.6264 6.6264 6.6904 6.6904 6.9074 6.9074 7.0982 7.0982 7.2632 7.2632 7.3775 7.3775 7.4723 7.4723 7.5979 7.5979 7.7687 7.7687 k = 0.0444 0.0257 0.0873 ( 6800 PWs) bands (ev): -7.4092 -7.4092 -7.3682 -7.3682 -7.1624 -7.1624 -7.0335 -7.0335 -5.7356 -5.7356 -4.7037 -4.7037 -4.4654 -4.4654 -2.7899 -2.7899 -2.0295 -2.0295 -1.9503 -1.9503 -0.9450 -0.9450 0.4526 0.4526 3.5330 3.5330 3.6092 3.6092 3.8376 3.8376 3.8860 3.8860 4.1657 4.1657 4.2097 4.2097 4.2982 4.2982 4.3586 4.3586 4.4388 4.4388 4.5237 4.5237 4.9585 4.9585 5.0288 5.0288 5.3405 5.3405 5.5797 5.5797 5.8141 5.8141 5.8911 5.8911 6.2146 6.2146 6.3121 6.3121 6.3464 6.3464 6.5788 6.5788 6.6889 6.6889 6.9907 6.9907 7.1178 7.1178 7.2497 7.2497 7.3916 7.3916 7.4769 7.4769 7.6481 7.6481 7.7633 7.7633 k = 0.0556 0.0321 0.0873 ( 6806 PWs) bands (ev): -7.3979 -7.3979 -7.3571 -7.3571 -7.1515 -7.1515 -7.0227 -7.0227 -5.7251 -5.7251 -4.6959 -4.6959 -4.4582 -4.4582 -2.7893 -2.7893 -2.0353 -2.0353 -1.9563 -1.9563 -0.9646 -0.9646 0.4367 0.4367 3.4773 3.4773 3.5473 3.5473 3.7355 3.7355 3.8069 3.8069 4.1309 4.1309 4.1825 4.1825 4.2533 4.2533 4.3224 4.3224 4.4143 4.4143 4.5206 4.5206 4.9775 4.9775 5.1060 5.1060 5.3380 5.3380 5.5411 5.5411 5.7792 5.7792 5.8653 5.8653 6.1858 6.1858 6.2818 6.2818 6.4399 6.4399 6.5294 6.5294 6.6817 6.6817 7.0579 7.0579 7.0785 7.0785 7.3107 7.3107 7.4067 7.4067 7.4758 7.4758 7.6832 7.6832 7.7920 7.7920 k = 0.0667 0.0385 0.0873 ( 6810 PWs) bands (ev): -7.3842 -7.3842 -7.3435 -7.3435 -7.1381 -7.1381 -7.0094 -7.0094 -5.7123 -5.7123 -4.6864 -4.6864 -4.4494 -4.4494 -2.7888 -2.7888 -2.0426 -2.0426 -1.9638 -1.9638 -0.9887 -0.9887 0.4173 0.4173 3.4058 3.4058 3.4674 3.4674 3.6341 3.6341 3.7335 3.7335 4.0909 4.0909 4.1449 4.1449 4.2124 4.2124 4.2873 4.2873 4.3816 4.3816 4.5149 4.5149 4.9628 4.9628 5.1696 5.1696 5.3313 5.3313 5.5084 5.5084 5.7390 5.7390 5.8570 5.8570 6.1701 6.1701 6.2637 6.2637 6.4587 6.4587 6.5277 6.5277 6.6854 6.6854 7.0158 7.0158 7.1204 7.1204 7.3993 7.3993 7.4158 7.4158 7.4943 7.4943 7.6703 7.6703 7.8663 7.8663 k = 0.0778 0.0449 0.0873 ( 6810 PWs) bands (ev): -7.3681 -7.3681 -7.3274 -7.3274 -7.1222 -7.1222 -6.9938 -6.9938 -5.6973 -5.6973 -4.6752 -4.6752 -4.4391 -4.4391 -2.7883 -2.7883 -2.0516 -2.0516 -1.9730 -1.9730 -1.0171 -1.0171 0.3944 0.3944 3.3183 3.3183 3.3693 3.3693 3.5420 3.5420 3.6665 3.6665 4.0461 4.0461 4.0995 4.0995 4.1707 4.1707 4.2515 4.2515 4.3417 4.3417 4.5060 4.5060 4.9336 4.9336 5.2048 5.2048 5.2941 5.2941 5.4958 5.4958 5.6923 5.6923 5.8795 5.8795 6.1673 6.1673 6.2477 6.2477 6.4141 6.4141 6.5249 6.5249 6.7377 6.7377 6.9689 6.9689 7.1661 7.1661 7.4059 7.4059 7.4996 7.4996 7.5378 7.5378 7.6485 7.6485 7.9327 7.9327 k = 0.0889 0.0513 0.0873 ( 6824 PWs) bands (ev): -7.3494 -7.3494 -7.3089 -7.3089 -7.1040 -7.1040 -6.9759 -6.9759 -5.6799 -5.6799 -4.6625 -4.6625 -4.4273 -4.4273 -2.7881 -2.7881 -2.0624 -2.0624 -1.9839 -1.9839 -1.0500 -1.0500 0.3682 0.3682 3.2182 3.2182 3.2569 3.2569 3.4595 3.4595 3.6045 3.6045 3.9967 3.9967 4.0492 4.0492 4.1246 4.1246 4.2138 4.2138 4.2974 4.2974 4.4929 4.4929 4.8977 4.8977 5.1818 5.1818 5.2528 5.2528 5.5058 5.5058 5.6396 5.6396 5.9232 5.9232 6.1731 6.1731 6.2270 6.2270 6.3755 6.3755 6.4820 6.4820 6.8101 6.8101 6.9421 6.9421 7.2053 7.2053 7.4026 7.4026 7.5600 7.5600 7.5785 7.5785 7.6776 7.6776 7.9752 7.9752 k = 0.1000 0.0577 0.0873 ( 6828 PWs) bands (ev): -7.3283 -7.3283 -7.2879 -7.2879 -7.0834 -7.0834 -6.9555 -6.9555 -5.6603 -5.6603 -4.6481 -4.6481 -4.4140 -4.4140 -2.7884 -2.7884 -2.0753 -2.0753 -1.9965 -1.9965 -1.0872 -1.0872 0.3387 0.3387 3.1095 3.1095 3.1371 3.1371 3.3814 3.3814 3.5453 3.5453 3.9430 3.9430 3.9955 3.9955 4.0735 4.0735 4.1739 4.1739 4.2518 4.2518 4.4749 4.4749 4.8558 4.8558 5.1023 5.1023 5.2261 5.2261 5.5292 5.5292 5.5859 5.5859 5.9588 5.9588 6.1710 6.1710 6.2183 6.2183 6.3398 6.3398 6.4429 6.4429 6.8429 6.8429 6.9595 6.9595 7.2428 7.2428 7.4040 7.4040 7.5470 7.5470 7.6360 7.6360 7.7726 7.7726 8.0116 8.0116 k = 0.1111 0.0642 0.0873 ( 6836 PWs) bands (ev): -7.3048 -7.3048 -7.2646 -7.2646 -7.0604 -7.0604 -6.9329 -6.9329 -5.6385 -5.6385 -4.6322 -4.6322 -4.3993 -4.3993 -2.7891 -2.7891 -2.0906 -2.0906 -2.0111 -2.0111 -1.1288 -1.1288 0.3060 0.3060 2.9935 2.9935 3.0176 3.0176 3.3035 3.3035 3.4873 3.4873 3.8859 3.8859 3.9398 3.9398 4.0192 4.0192 4.1312 4.1312 4.2067 4.2067 4.4504 4.4504 4.8077 4.8077 5.0052 5.0052 5.1974 5.1974 5.5191 5.5191 5.5661 5.5661 5.9591 5.9591 6.1534 6.1534 6.2352 6.2352 6.2994 6.2994 6.4324 6.4324 6.8311 6.8311 7.0074 7.0074 7.2848 7.2848 7.4120 7.4120 7.5309 7.5309 7.6991 7.6991 7.8694 7.8694 8.0543 8.0543 k = 0.1222 0.0706 0.0873 ( 6846 PWs) bands (ev): -7.2788 -7.2788 -7.2388 -7.2388 -7.0350 -7.0350 -6.9079 -6.9079 -5.6145 -5.6145 -4.6147 -4.6147 -4.3834 -4.3834 -2.7906 -2.7906 -2.1086 -2.1086 -2.0275 -2.0275 -1.1746 -1.1746 0.2702 0.2702 2.8707 2.8707 2.9032 2.9032 3.2235 3.2235 3.4289 3.4289 3.8266 3.8266 3.8831 3.8831 3.9635 3.9635 4.0862 4.0862 4.1624 4.1624 4.4173 4.4173 4.7555 4.7555 4.9022 4.9022 5.1667 5.1667 5.4649 5.4649 5.5805 5.5805 5.9220 5.9220 6.1377 6.1377 6.2329 6.2329 6.2870 6.2870 6.4417 6.4417 6.8107 6.8107 7.0429 7.0429 7.3357 7.3357 7.4269 7.4269 7.5314 7.5314 7.7628 7.7628 7.9454 7.9454 8.1105 8.1105 k = 0.1333 0.0770 0.0873 ( 6840 PWs) bands (ev): -7.2504 -7.2504 -7.2106 -7.2106 -7.0073 -7.0073 -6.8806 -6.8806 -5.5883 -5.5883 -4.5959 -4.5959 -4.3661 -4.3661 -2.7929 -2.7929 -2.1298 -2.1298 -2.0459 -2.0459 -1.2247 -1.2247 0.2316 0.2316 2.7453 2.7453 2.7933 2.7933 3.1404 3.1404 3.3693 3.3693 3.7669 3.7669 3.8263 3.8263 3.9078 3.9078 4.0394 4.0394 4.1186 4.1186 4.3730 4.3730 4.7031 4.7031 4.7982 4.7982 5.1322 5.1322 5.4076 5.4076 5.5819 5.5819 5.8664 5.8664 6.1191 6.1191 6.2129 6.2129 6.3013 6.3013 6.4493 6.4493 6.7915 6.7915 7.0649 7.0649 7.3907 7.3907 7.4457 7.4457 7.5580 7.5580 7.8245 7.8245 7.9963 7.9963 8.1735 8.1735 k = 0.1444 0.0834 0.0873 ( 6850 PWs) bands (ev): -7.2197 -7.2197 -7.1800 -7.1800 -6.9773 -6.9773 -6.8510 -6.8510 -5.5599 -5.5599 -4.5757 -4.5757 -4.3477 -4.3477 -2.7964 -2.7964 -2.1543 -2.1543 -2.0663 -2.0663 -1.2790 -1.2790 0.1904 0.1904 2.6205 2.6205 2.6869 2.6869 3.0541 3.0541 3.3077 3.3077 3.7087 3.7087 3.7700 3.7700 3.8528 3.8528 3.9914 3.9914 4.0748 4.0748 4.3162 4.3162 4.6505 4.6505 4.6999 4.6999 5.0901 5.0901 5.3494 5.3494 5.5659 5.5659 5.8086 5.8086 6.0983 6.0983 6.1984 6.1984 6.3135 6.3135 6.4408 6.4408 6.7701 6.7701 7.0916 7.0916 7.4352 7.4352 7.4696 7.4696 7.6145 7.6145 7.8811 7.8811 8.0318 8.0318 8.2295 8.2295 k = 0.1556 0.0898 0.0873 ( 6854 PWs) bands (ev): -7.1865 -7.1865 -7.1471 -7.1471 -6.9450 -6.9450 -6.8192 -6.8192 -5.5295 -5.5295 -4.5542 -4.5542 -4.3282 -4.3282 -2.8012 -2.8012 -2.1827 -2.1827 -2.0887 -2.0887 -1.3372 -1.3372 0.1467 0.1467 2.4977 2.4977 2.5839 2.5839 2.9652 2.9652 3.2439 3.2439 3.6526 3.6526 3.7146 3.7146 3.7990 3.7990 3.9430 3.9430 4.0307 4.0307 4.2477 4.2477 4.5736 4.5736 4.6348 4.6348 5.0368 5.0368 5.2907 5.2907 5.5322 5.5322 5.7587 5.7587 6.0757 6.0757 6.1877 6.1877 6.3144 6.3144 6.4225 6.4225 6.7386 6.7386 7.1350 7.1350 7.4498 7.4498 7.5163 7.5163 7.6930 7.6930 7.9290 7.9290 8.0604 8.0604 8.2797 8.2797 k = 0.1667 0.0962 0.0873 ( 6858 PWs) bands (ev): -7.1510 -7.1510 -7.1119 -7.1119 -6.9104 -6.9104 -6.7851 -6.7851 -5.4970 -5.4970 -4.5315 -4.5315 -4.3077 -4.3077 -2.8075 -2.8075 -2.2151 -2.2151 -2.1133 -2.1133 -1.3992 -1.3992 0.1010 0.1010 2.3780 2.3780 2.4843 2.4843 2.8749 2.8749 3.1780 3.1780 3.5979 3.5979 3.6606 3.6606 3.7470 3.7470 3.8949 3.8949 3.9863 3.9863 4.1703 4.1703 4.4773 4.4773 4.5986 4.5986 4.9710 4.9710 5.2320 5.2320 5.4828 5.4828 5.7226 5.7226 6.0444 6.0444 6.1811 6.1811 6.2902 6.2902 6.4169 6.4169 6.6955 6.6955 7.1925 7.1925 7.4490 7.4490 7.5740 7.5740 7.7844 7.7844 7.9638 7.9638 8.0874 8.0874 8.3292 8.3292 k = 0.1778 0.1026 0.0873 ( 6864 PWs) bands (ev): -7.1131 -7.1131 -7.0743 -7.0743 -6.8735 -6.8735 -6.7489 -6.7489 -5.4625 -5.4625 -4.5077 -4.5077 -4.2864 -4.2864 -2.8157 -2.8157 -2.2518 -2.2518 -2.1403 -2.1403 -1.4649 -1.4649 0.0534 0.0534 2.2621 2.2621 2.3881 2.3881 2.7844 2.7844 3.1103 3.1103 3.5435 3.5435 3.6082 3.6082 3.6970 3.6970 3.8476 3.8476 3.9415 3.9415 4.0879 4.0879 4.3815 4.3815 4.5705 4.5705 4.8936 4.8936 5.1738 5.1738 5.4215 5.4215 5.7004 5.7004 5.9976 5.9976 6.1795 6.1795 6.2447 6.2447 6.4292 6.4292 6.6450 6.6450 7.2551 7.2551 7.4405 7.4405 7.6354 7.6354 7.8842 7.8842 7.9830 7.9830 8.1160 8.1160 8.3325 8.3325 k = 0.1889 0.1091 0.0873 ( 6878 PWs) bands (ev): -7.0730 -7.0730 -7.0345 -7.0345 -6.8345 -6.8345 -6.7105 -6.7105 -5.4260 -5.4260 -4.4830 -4.4830 -4.2644 -4.2644 -2.8258 -2.8258 -2.2930 -2.2930 -2.1699 -2.1699 -1.5339 -1.5339 0.0041 0.0041 2.1504 2.1504 2.2948 2.2948 2.6956 2.6956 3.0411 3.0411 3.4880 3.4880 3.5571 3.5571 3.6491 3.6491 3.8015 3.8015 3.8963 3.8963 4.0041 4.0041 4.2903 4.2903 4.5456 4.5456 4.8076 4.8076 5.1161 5.1161 5.3531 5.3531 5.6882 5.6882 5.9337 5.9337 6.1766 6.1766 6.1976 6.1976 6.4492 6.4492 6.5917 6.5917 7.3141 7.3141 7.4268 7.4268 7.6981 7.6981 7.9827 7.9827 7.9959 7.9959 8.1455 8.1455 8.2929 8.2929 k = 0.2000 0.1155 0.0873 ( 6878 PWs) bands (ev): -7.0306 -7.0306 -6.9924 -6.9924 -6.7932 -6.7932 -6.6701 -6.6701 -5.3877 -5.3877 -4.4573 -4.4573 -4.2418 -4.2418 -2.8381 -2.8381 -2.3386 -2.3386 -2.2023 -2.2023 -1.6060 -1.6060 -0.0464 -0.0464 2.0437 2.0437 2.2040 2.2040 2.6104 2.6104 2.9705 2.9705 3.4310 3.4310 3.5065 3.5065 3.6028 3.6028 3.7564 3.7564 3.8497 3.8497 3.9230 3.9230 4.2052 4.2052 4.5207 4.5207 4.7172 4.7172 5.0589 5.0589 5.2816 5.2816 5.6812 5.6812 5.8560 5.8560 6.1367 6.1367 6.1891 6.1891 6.4690 6.4690 6.5408 6.5408 7.3554 7.3554 7.4192 7.4192 7.7597 7.7597 7.9810 7.9810 8.1011 8.1011 8.1710 8.1710 8.2562 8.2562 k = 0.2111 0.1219 0.0873 ( 6876 PWs) bands (ev): -6.9859 -6.9859 -6.9481 -6.9481 -6.7499 -6.7499 -6.6275 -6.6275 -5.3475 -5.3475 -4.4309 -4.4309 -4.2188 -4.2188 -2.8529 -2.8529 -2.3886 -2.3886 -2.2379 -2.2379 -1.6808 -1.6808 -0.0980 -0.0980 1.9423 1.9423 2.1150 2.1150 2.5304 2.5304 2.8988 2.8988 3.3726 3.3726 3.4562 3.4562 3.5570 3.5570 3.7109 3.7109 3.7980 3.7980 3.8519 3.8519 4.1277 4.1277 4.4911 4.4911 4.6289 4.6289 5.0018 5.0018 5.2096 5.2096 5.6734 5.6734 5.7722 5.7722 6.0873 6.0873 6.1908 6.1908 6.4653 6.4653 6.5150 6.5150 7.3500 7.3500 7.4459 7.4459 7.8187 7.8187 7.9675 7.9675 8.1647 8.1647 8.1962 8.1962 8.2681 8.2681 k = 0.2222 0.1283 0.0873 ( 6876 PWs) bands (ev): -6.9390 -6.9390 -6.9017 -6.9017 -6.7044 -6.7044 -6.5830 -6.5830 -5.3056 -5.3056 -4.4038 -4.4038 -4.1956 -4.1956 -2.8703 -2.8703 -2.4430 -2.4430 -2.2769 -2.2769 -1.7579 -1.7579 -0.1505 -0.1505 1.8467 1.8467 2.0272 2.0272 2.4573 2.4573 2.8257 2.8257 3.3129 3.3129 3.4059 3.4059 3.5111 3.5111 3.6614 3.6614 3.7386 3.7386 3.7978 3.7978 4.0588 4.0588 4.4448 4.4448 4.5557 4.5557 4.9443 4.9443 5.1387 5.1387 5.6419 5.6419 5.7074 5.7074 6.0384 6.0384 6.1907 6.1907 6.4235 6.4235 6.5281 6.5281 7.3202 7.3202 7.4853 7.4853 7.8741 7.8741 7.9478 7.9478 8.1327 8.1327 8.2292 8.2292 8.3709 8.3709 k = 0.2333 0.1347 0.0873 ( 6876 PWs) bands (ev): -6.8900 -6.8900 -6.8531 -6.8531 -6.6570 -6.6570 -6.5365 -6.5365 -5.2621 -5.2621 -4.3764 -4.3764 -4.1725 -4.1725 -2.8904 -2.8904 -2.5017 -2.5017 -2.3197 -2.3197 -1.8369 -1.8369 -0.2036 -0.2036 1.7573 1.7573 1.9403 1.9403 2.3922 2.3922 2.7513 2.7513 3.2521 3.2521 3.3559 3.3559 3.4648 3.4648 3.6034 3.6034 3.6811 3.6811 3.7556 3.7556 3.9990 3.9990 4.3705 4.3705 4.5103 4.5103 4.8861 4.8861 5.0702 5.0702 5.5620 5.5620 5.6881 5.6881 5.9899 5.9899 6.1871 6.1871 6.3788 6.3788 6.5442 6.5442 7.2841 7.2841 7.5211 7.5211 7.9203 7.9203 7.9286 7.9286 8.0952 8.0952 8.2505 8.2505 8.4941 8.4941 k = 0.2444 0.1411 0.0873 ( 6880 PWs) bands (ev): -6.8389 -6.8389 -6.8024 -6.8024 -6.6075 -6.6075 -6.4881 -6.4881 -5.2171 -5.2171 -4.3486 -4.3486 -4.1498 -4.1498 -2.9133 -2.9133 -2.5644 -2.5644 -2.3664 -2.3664 -1.9173 -1.9173 -0.2572 -0.2572 1.6744 1.6744 1.8545 1.8545 2.3355 2.3355 2.6757 2.6757 3.1904 3.1904 3.3065 3.3065 3.4182 3.4182 3.5382 3.5382 3.6308 3.6308 3.7183 3.7183 3.9481 3.9481 4.2802 4.2802 4.4816 4.4816 4.8268 4.8268 5.0054 5.0054 5.4720 5.4720 5.6777 5.6777 5.9419 5.9419 6.1787 6.1787 6.3384 6.3384 6.5552 6.5552 7.2468 7.2468 7.5507 7.5507 7.8952 7.8952 7.9730 7.9730 8.0627 8.0627 8.2679 8.2679 8.6177 8.6177 k = 0.2556 0.1475 0.0873 ( 6872 PWs) bands (ev): -6.7857 -6.7857 -6.7497 -6.7497 -6.5562 -6.5562 -6.4379 -6.4379 -5.1706 -5.1706 -4.3208 -4.3208 -4.1278 -4.1278 -2.9391 -2.9391 -2.6309 -2.6309 -2.4173 -2.4173 -1.9985 -1.9985 -0.3112 -0.3112 1.5984 1.5984 1.7700 1.7700 2.2870 2.2870 2.5992 2.5992 3.1281 3.1281 3.2580 3.2580 3.3717 3.3717 3.4717 3.4717 3.5849 3.5849 3.6828 3.6828 3.9045 3.9045 4.1856 4.1856 4.4587 4.4587 4.7662 4.7662 4.9449 4.9449 5.3845 5.3845 5.6646 5.6646 5.8951 5.8951 6.1643 6.1643 6.3040 6.3040 6.5579 6.5579 7.2117 7.2117 7.5737 7.5737 7.8673 7.8673 8.0097 8.0097 8.0419 8.0419 8.2822 8.2822 8.7300 8.7300 k = 0.2667 0.1540 0.0873 ( 6874 PWs) bands (ev): -6.7305 -6.7305 -6.6951 -6.6951 -6.5031 -6.5031 -6.3861 -6.3861 -5.1229 -5.1229 -4.2931 -4.2931 -4.1068 -4.1068 -2.9676 -2.9676 -2.7009 -2.7009 -2.4727 -2.4727 -2.0799 -2.0799 -0.3655 -0.3655 1.5293 1.5293 1.6876 1.6876 2.2457 2.2457 2.5227 2.5227 3.0657 3.0657 3.2107 3.2107 3.3257 3.3257 3.4079 3.4079 3.5412 3.5412 3.6483 3.6483 3.8653 3.8653 4.0910 4.0910 4.4384 4.4384 4.7045 4.7045 4.8892 4.8892 5.3033 5.3033 5.6460 5.6460 5.8501 5.8501 6.1434 6.1434 6.2759 6.2759 6.5505 6.5505 7.1814 7.1814 7.5903 7.5903 7.8424 7.8424 8.0045 8.0045 8.0638 8.0638 8.2946 8.2946 8.8100 8.8100 k = 0.2778 0.1604 0.0873 ( 6890 PWs) bands (ev): -6.6734 -6.6734 -6.6385 -6.6385 -6.4482 -6.4482 -6.3326 -6.3326 -5.0740 -5.0740 -4.2658 -4.2658 -4.0873 -4.0873 -2.9988 -2.9988 -2.7740 -2.7740 -2.5325 -2.5325 -2.1608 -2.1608 -0.4202 -0.4202 1.4673 1.4673 1.6083 1.6083 2.2094 2.2094 2.4477 2.4477 3.0038 3.0038 3.1646 3.1646 3.2804 3.2804 3.3493 3.3493 3.4989 3.4989 3.6147 3.6147 3.8263 3.8263 3.9983 3.9983 4.4201 4.4201 4.6426 4.6426 4.8385 4.8385 5.2304 5.2304 5.6200 5.6200 5.8078 5.8078 6.1173 6.1173 6.2523 6.2523 6.5325 6.5325 7.1572 7.1572 7.6008 7.6008 7.8236 7.8236 7.9869 7.9869 8.0969 8.0969 8.3061 8.3061 8.8546 8.8546 k = 0.2889 0.1668 0.0873 ( 6896 PWs) bands (ev): -6.6144 -6.6144 -6.5802 -6.5802 -6.3917 -6.3917 -6.2776 -6.2776 -5.0242 -5.0242 -4.2391 -4.2391 -4.0698 -4.0698 -3.0325 -3.0325 -2.8497 -2.8497 -2.5968 -2.5968 -2.2408 -2.2408 -0.4751 -0.4751 1.4121 1.4121 1.5332 1.5332 2.1744 2.1744 2.3778 2.3778 2.9432 2.9432 3.1198 3.1198 3.2357 3.2357 3.2967 3.2967 3.4579 3.4579 3.5825 3.5825 3.7833 3.7833 3.9086 3.9086 4.4034 4.4034 4.5819 4.5819 4.7925 4.7925 5.1672 5.1672 5.5858 5.5858 5.7687 5.7687 6.0881 6.0881 6.2304 6.2304 6.5054 6.5054 7.1388 7.1388 7.6063 7.6063 7.8133 7.8133 7.9708 7.9708 8.1254 8.1254 8.3184 8.3184 8.8805 8.8805 k = 0.3000 0.1732 0.0873 ( 6896 PWs) bands (ev): -6.5538 -6.5538 -6.5202 -6.5202 -6.3337 -6.3337 -6.2213 -6.2213 -4.9737 -4.9737 -4.2134 -4.2134 -4.0549 -4.0549 -3.0687 -3.0687 -2.9272 -2.9272 -2.6656 -2.6656 -2.3191 -2.3191 -0.5304 -0.5304 1.3629 1.3629 1.4640 1.4640 2.1340 2.1340 2.3190 2.3190 2.8848 2.8848 3.0763 3.0763 3.1915 3.1915 3.2507 3.2507 3.4186 3.4186 3.5522 3.5522 3.7329 3.7329 3.8230 3.8230 4.3866 4.3866 4.5254 4.5254 4.7512 4.7512 5.1144 5.1144 5.5438 5.5438 5.7321 5.7321 6.0579 6.0579 6.2073 6.2073 6.4729 6.4729 7.1242 7.1242 7.6078 7.6078 7.8127 7.8127 7.9567 7.9567 8.1471 8.1471 8.3331 8.3331 8.8923 8.8923 k = 0.3111 0.1796 0.0873 ( 6904 PWs) bands (ev): -6.4914 -6.4914 -6.4585 -6.4585 -6.2744 -6.2744 -6.1637 -6.1637 -4.9227 -4.9227 -4.1890 -4.1890 -4.0432 -4.0432 -3.1077 -3.1077 -3.0051 -3.0051 -2.7385 -2.7385 -2.3953 -2.3953 -0.5859 -0.5859 1.3180 1.3180 1.4031 1.4031 2.0813 2.0813 2.2775 2.2775 2.8299 2.8299 3.0342 3.0342 3.1484 3.1484 3.2107 3.2107 3.3809 3.3809 3.5241 3.5241 3.6733 3.6733 3.7420 3.7420 4.3642 4.3642 4.4796 4.4796 4.7146 4.7146 5.0720 5.0720 5.4949 5.4949 5.6966 5.6966 6.0278 6.0278 6.1812 6.1812 6.4392 6.4392 7.1111 7.1111 7.6059 7.6059 7.8226 7.8226 7.9447 7.9447 8.1612 8.1612 8.3512 8.3512 8.8693 8.8693 k = 0.3222 0.1860 0.0873 ( 6898 PWs) bands (ev): -6.4276 -6.4276 -6.3954 -6.3954 -6.2138 -6.2138 -6.1051 -6.1051 -4.8715 -4.8715 -4.1662 -4.1662 -4.0354 -4.0354 -3.1519 -3.1519 -3.0800 -3.0800 -2.8150 -2.8150 -2.4689 -2.4689 -0.6417 -0.6417 1.2738 1.2738 1.3544 1.3544 2.0156 2.0156 2.2535 2.2535 2.7796 2.7796 2.9935 2.9935 3.1071 3.1071 3.1755 3.1755 3.3450 3.3450 3.4979 3.4979 3.6057 3.6057 3.6648 3.6648 4.3281 4.3281 4.4522 4.4522 4.6828 4.6828 5.0396 5.0396 5.4403 5.4403 5.6612 5.6612 5.9985 5.9985 6.1515 6.1515 6.4081 6.4081 7.0974 7.0974 7.6009 7.6009 7.8420 7.8420 7.9359 7.9359 8.1680 8.1680 8.3725 8.3725 8.7831 8.7831 k = 0.3333 0.1925 0.0873 ( 6892 PWs) bands (ev): -6.3624 -6.3624 -6.3309 -6.3309 -6.1523 -6.1523 -6.0458 -6.0458 -4.8205 -4.8205 -4.1456 -4.1456 -4.0320 -4.0320 -3.2085 -3.2085 -3.1434 -3.1434 -2.8944 -2.8944 -2.5394 -2.5394 -0.6975 -0.6975 1.2280 1.2280 1.3207 1.3207 1.9416 1.9416 2.2413 2.2413 2.7349 2.7349 2.9541 2.9541 3.0682 3.0682 3.1441 3.1441 3.3109 3.3109 3.4724 3.4724 3.5342 3.5342 3.5906 3.5906 4.2791 4.2791 4.4409 4.4409 4.6567 4.6567 5.0163 5.0163 5.3807 5.3807 5.6250 5.6250 5.9707 5.9707 6.1187 6.1187 6.3814 6.3814 7.0823 7.0823 7.5927 7.5927 7.8657 7.8657 7.9352 7.9352 8.1686 8.1686 8.3961 8.3961 8.6813 8.6813 k = 0.3444 0.1989 0.0873 ( 6900 PWs) bands (ev): -6.2960 -6.2960 -6.2653 -6.2653 -6.0900 -6.0900 -5.9858 -5.9858 -4.7701 -4.7701 -4.1278 -4.1278 -4.0336 -4.0336 -3.2805 -3.2805 -3.1910 -3.1910 -2.9760 -2.9760 -2.6066 -2.6066 -0.7533 -0.7533 1.1817 1.1817 1.3006 1.3006 1.8640 1.8640 2.2354 2.2354 2.6972 2.6972 2.9159 2.9159 3.0320 3.0320 3.1158 3.1158 3.2787 3.2787 3.4411 3.4411 3.4631 3.4631 3.5236 3.5236 4.2242 4.2242 4.4366 4.4366 4.6375 4.6375 5.0011 5.0011 5.3167 5.3167 5.5883 5.5883 5.9445 5.9445 6.0849 6.0849 6.3596 6.3596 7.0654 7.0654 7.5814 7.5814 7.8793 7.8793 7.9558 7.9558 8.1646 8.1646 8.4201 8.4201 8.5780 8.5780 k = 0.3556 0.2053 0.0873 ( 6914 PWs) bands (ev): -6.2286 -6.2286 -6.1988 -6.1988 -6.0271 -6.0271 -5.9257 -5.9257 -4.7207 -4.7207 -4.1140 -4.1140 -4.0400 -4.0400 -3.3594 -3.3594 -3.2302 -3.2302 -3.0587 -3.0587 -2.6700 -2.6700 -0.8087 -0.8087 1.1377 1.1377 1.2913 1.2913 1.7858 1.7858 2.2318 2.2318 2.6671 2.6671 2.8790 2.8790 2.9987 2.9987 3.0897 3.0897 3.2481 3.2481 3.3875 3.3875 3.3959 3.3959 3.4799 3.4799 4.1678 4.1678 4.4325 4.4325 4.6262 4.6262 4.9927 4.9927 5.2487 5.2487 5.5518 5.5518 5.9203 5.9203 6.0519 6.0519 6.3420 6.3420 7.0473 7.0473 7.5670 7.5670 7.8784 7.8784 7.9995 7.9995 8.1572 8.1572 8.4338 8.4338 8.4873 8.4873 k = 0.3667 0.2117 0.0873 ( 6914 PWs) bands (ev): -6.1605 -6.1605 -6.1316 -6.1316 -5.9641 -5.9641 -5.8656 -5.8656 -4.6730 -4.6730 -4.1066 -4.1066 -4.0497 -4.0497 -3.4393 -3.4393 -3.2659 -3.2659 -3.1413 -3.1413 -2.7290 -2.7290 -0.8633 -0.8633 1.0976 1.0976 1.2906 1.2906 1.7089 1.7089 2.2279 2.2279 2.6450 2.6450 2.8433 2.8433 2.9686 2.9686 3.0653 3.0653 3.2185 3.2185 3.3201 3.3201 3.3276 3.3276 3.4596 3.4596 4.1114 4.1114 4.4255 4.4255 4.6230 4.6230 4.9895 4.9895 5.1775 5.1775 5.5170 5.5170 5.8984 5.8984 6.0212 6.0212 6.3277 6.3277 7.0284 7.0284 7.5498 7.5498 7.8722 7.8722 8.0503 8.0503 8.1503 8.1503 8.3684 8.3684 8.4822 8.4822 k = 0.3778 0.2181 0.0873 ( 6922 PWs) bands (ev): -6.0919 -6.0919 -6.0640 -6.0640 -5.9013 -5.9013 -5.8061 -5.8061 -4.6276 -4.6276 -4.1104 -4.1104 -4.0586 -4.0586 -3.5173 -3.5173 -3.3009 -3.3009 -3.2213 -3.2213 -2.7831 -2.7831 -0.9167 -0.9167 1.0621 1.0621 1.2970 1.2970 1.6350 1.6350 2.2220 2.2220 2.6302 2.6302 2.8086 2.8086 2.9420 2.9420 3.0417 3.0417 3.1885 3.1885 3.2495 3.2495 3.2654 3.2654 3.4497 3.4497 4.0561 4.0561 4.4150 4.4150 4.6266 4.6266 4.9891 4.9891 5.1046 5.1046 5.4856 5.4856 5.8790 5.8790 5.9937 5.9937 6.3158 6.3158 7.0093 7.0093 7.5296 7.5296 7.8647 7.8647 8.0755 8.0755 8.1649 8.1649 8.2899 8.2899 8.5052 8.5052 k = 0.3889 0.2245 0.0873 ( 6924 PWs) bands (ev): -6.0233 -6.0233 -5.9963 -5.9963 -5.8391 -5.8391 -5.7477 -5.7477 -4.5852 -4.5852 -4.1286 -4.1286 -4.0643 -4.0643 -3.5912 -3.5912 -3.3423 -3.3423 -3.2916 -3.2916 -2.8318 -2.8318 -0.9684 -0.9684 1.0317 1.0317 1.3082 1.3082 1.5663 1.5663 2.2132 2.2132 2.6207 2.6207 2.7748 2.7748 2.9195 2.9195 3.0177 3.0177 3.1525 3.1525 3.1856 3.1856 3.2135 3.2135 3.4455 3.4455 4.0023 4.0023 4.4019 4.4019 4.6344 4.6344 4.9850 4.9850 5.0359 5.0359 5.4591 5.4591 5.8624 5.8624 5.9696 5.9696 6.3059 6.3059 6.9907 6.9907 7.5065 7.5065 7.8570 7.8570 8.0471 8.0471 8.1933 8.1933 8.2606 8.2606 8.5295 8.5295 k = 0.4000 0.2309 0.0873 ( 6908 PWs) bands (ev): -5.9550 -5.9550 -5.9292 -5.9292 -5.7782 -5.7782 -5.6911 -5.6911 -4.5468 -4.5468 -4.1570 -4.1570 -4.0715 -4.0715 -3.6584 -3.6584 -3.4032 -3.4032 -3.3385 -3.3385 -2.8743 -2.8743 -1.0177 -1.0177 1.0063 1.0063 1.3197 1.3197 1.5072 1.5072 2.2012 2.2012 2.6128 2.6128 2.7418 2.7418 2.9021 2.9021 2.9916 2.9916 3.1070 3.1070 3.1341 3.1341 3.1765 3.1765 3.4455 3.4455 3.9503 3.9503 4.3877 4.3877 4.6438 4.6438 4.9420 4.9420 5.0067 5.0067 5.4389 5.4389 5.8486 5.8486 5.9489 5.9489 6.2974 6.2974 6.9728 6.9728 7.4800 7.4800 7.8494 7.8494 7.9898 7.9898 8.1718 8.1718 8.3221 8.3221 8.5538 8.5538 k = 0.4111 0.2374 0.0873 ( 6918 PWs) bands (ev): -5.8877 -5.8877 -5.8632 -5.8632 -5.7192 -5.7192 -5.6370 -5.6370 -4.5133 -4.5133 -4.1911 -4.1911 -4.0852 -4.0852 -3.7159 -3.7159 -3.4730 -3.4730 -3.3719 -3.3719 -2.9105 -2.9105 -1.0641 -1.0641 0.9862 0.9862 1.3201 1.3201 1.4691 1.4691 2.1860 2.1860 2.6021 2.6021 2.7096 2.7096 2.8907 2.8907 2.9623 2.9623 3.0659 3.0659 3.0889 3.0889 3.1517 3.1517 3.4490 3.4490 3.9005 3.9005 4.3735 4.3735 4.6511 4.6511 4.8755 4.8755 5.0032 5.0032 5.4259 5.4259 5.8378 5.8378 5.9315 5.9315 6.2902 6.2902 6.9561 6.9561 7.4496 7.4496 7.8416 7.8416 7.9242 7.9242 8.1512 8.1512 8.4045 8.4045 8.5779 8.5779 k = 0.4222 0.2438 0.0873 ( 6912 PWs) bands (ev): -5.8219 -5.8219 -5.7990 -5.7990 -5.6631 -5.6631 -5.5864 -5.5864 -4.4856 -4.4856 -4.2277 -4.2277 -4.1086 -4.1086 -3.7618 -3.7618 -3.5394 -3.5394 -3.4023 -3.4023 -2.9402 -2.9402 -1.1069 -1.1069 0.9712 0.9712 1.2952 1.2952 1.4661 1.4661 2.1671 2.1671 2.5853 2.5853 2.6784 2.6784 2.8854 2.8854 2.9324 2.9324 3.0347 3.0347 3.0513 3.0513 3.1331 3.1331 3.4553 3.4553 3.8532 3.8532 4.3601 4.3601 4.6509 4.6509 4.8165 4.8165 4.9993 4.9993 5.4201 5.4201 5.8300 5.8300 5.9173 5.9173 6.2841 6.2841 6.9409 6.9409 7.4152 7.4152 7.8304 7.8304 7.8656 7.8656 8.1360 8.1360 8.4917 8.4917 8.6028 8.6028 k = 0.4333 0.2502 0.0873 ( 6916 PWs) bands (ev): -5.7587 -5.7587 -5.7376 -5.7376 -5.6108 -5.6108 -5.5404 -5.5404 -4.4648 -4.4648 -4.2639 -4.2639 -4.1417 -4.1417 -3.7968 -3.7968 -3.5966 -3.5966 -3.4324 -3.4324 -2.9638 -2.9638 -1.1455 -1.1455 0.9616 0.9616 1.2522 1.2522 1.4904 1.4904 2.1441 2.1441 2.5622 2.5622 2.6485 2.6485 2.8819 2.8819 2.9091 2.9091 3.0050 3.0050 3.0296 3.0296 3.1187 3.1187 3.4638 3.4638 3.8090 3.8090 4.3482 4.3482 4.6330 4.6330 4.7786 4.7786 4.9921 4.9921 5.4205 5.4205 5.8248 5.8248 5.9064 5.9064 6.2790 6.2790 6.9273 6.9273 7.3772 7.3772 7.7967 7.7967 7.8388 7.8388 8.1240 8.1240 8.5745 8.5745 8.6349 8.6349 k = 0.4444 0.2566 0.0873 ( 6916 PWs) bands (ev): -5.6991 -5.6991 -5.6803 -5.6803 -5.5636 -5.5636 -5.5002 -5.5002 -4.4519 -4.4519 -4.2966 -4.2966 -4.1815 -4.1815 -3.8259 -3.8259 -3.6391 -3.6391 -3.4629 -3.4629 -2.9817 -2.9817 -1.1793 -1.1793 0.9572 0.9572 1.2047 1.2047 1.5279 1.5279 2.1159 2.1159 2.5365 2.5365 2.6203 2.6203 2.8711 2.8711 2.8998 2.8998 2.9784 2.9784 3.0210 3.0210 3.1079 3.1079 3.4736 3.4736 3.7685 3.7685 4.3381 4.3381 4.5945 4.5945 4.7665 4.7665 4.9819 4.9819 5.4252 5.4252 5.8219 5.8219 5.8986 5.8986 6.2749 6.2749 6.9155 6.9155 7.3372 7.3372 7.7548 7.7548 7.8312 7.8312 8.1144 8.1144 8.6251 8.6251 8.6998 8.6998 k = 0.4556 0.2630 0.0873 ( 6914 PWs) bands (ev): -5.6446 -5.6446 -5.6286 -5.6286 -5.5228 -5.5228 -5.4670 -5.4670 -4.4477 -4.4477 -4.3225 -4.3225 -4.2231 -4.2231 -3.8547 -3.8547 -3.6624 -3.6624 -3.4938 -3.4938 -2.9949 -2.9949 -1.2078 -1.2078 0.9582 0.9582 1.1586 1.1586 1.5717 1.5717 2.0821 2.0821 2.5128 2.5128 2.5942 2.5942 2.8574 2.8574 2.8953 2.8953 2.9597 2.9597 3.0205 3.0205 3.1008 3.1008 3.4837 3.4837 3.7326 3.7326 4.3300 4.3300 4.5480 4.5480 4.7692 4.7692 4.9696 4.9696 5.4322 5.4322 5.8205 5.8205 5.8941 5.8941 6.2716 6.2716 6.9057 6.9057 7.2978 7.2978 7.7212 7.7212 7.8265 7.8265 8.1066 8.1066 8.6513 8.6513 8.7769 8.7769 k = 0.4667 0.2694 0.0873 ( 6914 PWs) bands (ev): -5.5971 -5.5971 -5.5844 -5.5844 -5.4899 -5.4899 -5.4419 -5.4419 -4.4513 -4.4513 -4.3399 -4.3399 -4.2610 -4.2610 -3.8843 -3.8843 -3.6670 -3.6670 -3.5249 -3.5249 -3.0041 -3.0041 -1.2304 -1.2304 0.9645 0.9645 1.1160 1.1160 1.6180 1.6180 2.0439 2.0439 2.4948 2.4948 2.5709 2.5709 2.8468 2.8468 2.8874 2.8874 2.9492 2.9492 3.0245 3.0245 3.0976 3.0976 3.4931 3.4931 3.7026 3.7026 4.3241 4.3241 4.5046 4.5046 4.7772 4.7772 4.9568 4.9568 5.4394 5.4394 5.8198 5.8198 5.8923 5.8923 6.2692 6.2692 6.8979 6.8979 7.2624 7.2624 7.6966 7.6966 7.8232 7.8232 8.1005 8.1005 8.6725 8.6725 8.7783 8.7783 k = 0.4778 0.2758 0.0873 ( 6914 PWs) bands (ev): -5.5589 -5.5589 -5.5501 -5.5501 -5.4659 -5.4659 -5.4253 -5.4253 -4.4591 -4.4591 -4.3511 -4.3511 -4.2899 -4.2899 -3.9104 -3.9104 -3.6575 -3.6575 -3.5556 -3.5556 -3.0101 -3.0101 -1.2469 -1.2469 0.9763 0.9763 1.0778 1.0778 1.6624 1.6624 2.0046 2.0046 2.4837 2.4837 2.5518 2.5518 2.8399 2.8399 2.8783 2.8783 2.9438 2.9438 3.0293 3.0293 3.0981 3.0981 3.5006 3.5006 3.6797 3.6797 4.3205 4.3205 4.4699 4.4699 4.7859 4.7859 4.9453 4.9453 5.4455 5.4455 5.8195 5.8195 5.8924 5.8924 6.2676 6.2676 6.8922 6.8922 7.2342 7.2342 7.6799 7.6799 7.8209 7.8209 8.0962 8.0962 8.6917 8.6917 8.7637 8.7637 k = 0.4889 0.2823 0.0873 ( 6924 PWs) bands (ev): -5.5331 -5.5331 -5.5286 -5.5286 -5.4516 -5.4516 -5.4164 -5.4164 -4.4658 -4.4658 -4.3587 -4.3587 -4.3065 -4.3065 -3.9282 -3.9282 -3.6392 -3.6392 -3.5850 -3.5850 -3.0135 -3.0135 -1.2569 -1.2569 0.9933 0.9933 1.0448 1.0448 1.6977 1.6977 1.9720 1.9720 2.4786 2.4786 2.5387 2.5387 2.8362 2.8362 2.8715 2.8715 2.9412 2.9412 3.0323 3.0323 3.1001 3.1001 3.5055 3.5055 3.6654 3.6654 4.3187 4.3187 4.4475 4.4475 4.7925 4.7925 4.9371 4.9371 5.4494 5.4494 5.8192 5.8192 5.8932 5.8932 6.2667 6.2667 6.8888 6.8888 7.2161 7.2161 7.6703 7.6703 7.8195 7.8195 8.0936 8.0936 8.7095 8.7095 8.7482 8.7482 k = 0.5000 0.2887 0.0873 ( 6936 PWs) bands (ev): -5.5227 -5.5227 -5.5224 -5.5224 -5.4469 -5.4469 -5.4138 -5.4138 -4.4684 -4.4684 -4.3618 -4.3618 -4.3115 -4.3115 -3.9346 -3.9346 -3.6210 -3.6210 -3.6066 -3.6066 -3.0145 -3.0145 -1.2603 -1.2603 1.0120 1.0120 1.0208 1.0208 1.7120 1.7120 1.9584 1.9584 2.4773 2.4773 2.5339 2.5339 2.8350 2.8350 2.8690 2.8690 2.9404 2.9404 3.0333 3.0333 3.1012 3.1012 3.5071 3.5071 3.6606 3.6606 4.3182 4.3182 4.4397 4.4397 4.7950 4.7950 4.9340 4.9340 5.4508 5.4508 5.8191 5.8191 5.8935 5.8935 6.2664 6.2664 6.8876 6.8876 7.2099 7.2099 7.6672 7.6672 7.8190 7.8190 8.0927 8.0927 8.7209 8.7209 8.7374 8.7374 k = 0.5000 0.2887 0.0873 ( 6936 PWs) bands (ev): -5.5227 -5.5227 -5.5224 -5.5224 -5.4469 -5.4469 -5.4138 -5.4138 -4.4684 -4.4684 -4.3618 -4.3618 -4.3115 -4.3115 -3.9346 -3.9346 -3.6210 -3.6210 -3.6066 -3.6066 -3.0145 -3.0145 -1.2603 -1.2603 1.0120 1.0120 1.0208 1.0208 1.7120 1.7120 1.9584 1.9584 2.4773 2.4773 2.5339 2.5339 2.8350 2.8350 2.8690 2.8690 2.9404 2.9404 3.0333 3.0333 3.1012 3.1012 3.5071 3.5071 3.6606 3.6606 4.3182 4.3182 4.4397 4.4397 4.7950 4.7950 4.9340 4.9340 5.4508 5.4508 5.8191 5.8191 5.8935 5.8935 6.2664 6.2664 6.8876 6.8876 7.2099 7.2099 7.6672 7.6672 7.8190 7.8190 8.0927 8.0927 8.7209 8.7209 8.7374 8.7374 k = 0.4936 0.2998 0.0873 ( 6934 PWs) bands (ev): -5.5215 -5.5215 -5.5210 -5.5210 -5.4456 -5.4456 -5.4126 -5.4126 -4.4679 -4.4679 -4.3614 -4.3614 -4.3111 -4.3111 -3.9350 -3.9350 -3.6219 -3.6219 -3.6074 -3.6074 -3.0161 -3.0161 -1.2611 -1.2611 1.0125 1.0125 1.0214 1.0214 1.7122 1.7122 1.9583 1.9583 2.4736 2.4736 2.5290 2.5290 2.8328 2.8328 2.8706 2.8706 2.9278 2.9278 3.0294 3.0294 3.0902 3.0902 3.5150 3.5150 3.6736 3.6736 4.3068 4.3068 4.4429 4.4429 4.7821 4.7821 4.9532 4.9532 5.4570 5.4570 5.8130 5.8130 5.8948 5.8948 6.2488 6.2488 6.9162 6.9162 7.2154 7.2154 7.6695 7.6695 7.8101 7.8101 8.0978 8.0978 8.6971 8.6971 8.7254 8.7254 k = 0.4872 0.3109 0.0873 ( 6914 PWs) bands (ev): -5.5179 -5.5179 -5.5170 -5.5170 -5.4419 -5.4419 -5.4088 -5.4088 -4.4664 -4.4664 -4.3603 -4.3603 -4.3098 -4.3098 -3.9365 -3.9365 -3.6244 -3.6244 -3.6097 -3.6097 -3.0209 -3.0209 -1.2637 -1.2637 1.0142 1.0142 1.0231 1.0231 1.7125 1.7125 1.9579 1.9579 2.4630 2.4630 2.5152 2.5152 2.8145 2.8145 2.8707 2.8707 2.9102 2.9102 2.9996 2.9996 3.0809 3.0809 3.5287 3.5287 3.7096 3.7096 4.2825 4.2825 4.4507 4.4507 4.7420 4.7420 5.0073 5.0073 5.4733 5.4733 5.7869 5.7869 5.9064 5.9064 6.2062 6.2062 6.9914 6.9914 7.2319 7.2319 7.6763 7.6763 7.7884 7.7884 8.1034 8.1034 8.6550 8.6550 8.6977 8.6977 k = 0.4808 0.3220 0.0873 ( 6918 PWs) bands (ev): -5.5119 -5.5119 -5.5105 -5.5105 -5.4357 -5.4357 -5.4025 -5.4025 -4.4639 -4.4639 -4.3584 -4.3584 -4.3077 -4.3077 -3.9390 -3.9390 -3.6286 -3.6286 -3.6136 -3.6136 -3.0289 -3.0289 -1.2681 -1.2681 1.0169 1.0169 1.0260 1.0260 1.7130 1.7130 1.9570 1.9570 2.4466 2.4466 2.4951 2.4951 2.7625 2.7625 2.8557 2.8557 2.9080 2.9080 2.9589 2.9589 3.0862 3.0862 3.5313 3.5313 3.7602 3.7602 4.2636 4.2636 4.4616 4.4616 4.6800 4.6800 5.0830 5.0830 5.4945 5.4945 5.7398 5.7398 5.9315 5.9315 6.1568 6.1568 7.0925 7.0925 7.2600 7.2600 7.6860 7.6860 7.7631 7.7631 8.0918 8.0918 8.6343 8.6343 8.6620 8.6620 k = 0.4744 0.3331 0.0873 ( 6914 PWs) bands (ev): -5.5033 -5.5033 -5.5016 -5.5016 -5.4270 -5.4270 -5.3938 -5.3938 -4.4606 -4.4606 -4.3558 -4.3558 -4.3049 -4.3049 -3.9426 -3.9426 -3.6346 -3.6346 -3.6190 -3.6190 -3.0401 -3.0401 -1.2741 -1.2741 1.0206 1.0206 1.0300 1.0300 1.7136 1.7136 1.9554 1.9554 2.4258 2.4258 2.4714 2.4714 2.6890 2.6890 2.7992 2.7992 2.9047 2.9047 2.9600 2.9600 3.0965 3.0965 3.5142 3.5142 3.8144 3.8144 4.2611 4.2611 4.4741 4.4741 4.6072 4.6072 5.1644 5.1644 5.5099 5.5099 5.6886 5.6886 5.9605 5.9605 6.1156 6.1156 7.1982 7.1982 7.3049 7.3049 7.6889 7.6889 7.7467 7.7467 8.0593 8.0593 8.6057 8.6057 8.6675 8.6675 k = 0.4679 0.3442 0.0873 ( 6910 PWs) bands (ev): -5.4922 -5.4922 -5.4901 -5.4901 -5.4159 -5.4159 -5.3825 -5.3825 -4.4563 -4.4563 -4.3526 -4.3526 -4.3013 -4.3013 -3.9473 -3.9473 -3.6423 -3.6423 -3.6259 -3.6259 -3.0543 -3.0543 -1.2818 -1.2818 1.0251 1.0251 1.0351 1.0351 1.7141 1.7141 1.9527 1.9527 2.4009 2.4009 2.4468 2.4468 2.6069 2.6069 2.7166 2.7166 2.9013 2.9013 2.9833 2.9833 3.1094 3.1094 3.4802 3.4802 3.8605 3.8605 4.2753 4.2753 4.4738 4.4738 4.5481 4.5481 5.2387 5.2387 5.4955 5.4955 5.6649 5.6649 5.9785 5.9785 6.0998 6.0998 7.2789 7.2789 7.3829 7.3829 7.6607 7.6607 7.7612 7.7612 8.0224 8.0224 8.5632 8.5632 8.7190 8.7190 k = 0.4615 0.3553 0.0873 ( 6898 PWs) bands (ev): -5.4786 -5.4786 -5.4761 -5.4761 -5.4022 -5.4022 -5.3688 -5.3688 -4.4513 -4.4513 -4.3490 -4.3490 -4.2972 -4.2972 -3.9533 -3.9533 -3.6516 -3.6516 -3.6344 -3.6344 -3.0716 -3.0716 -1.2911 -1.2911 1.0303 1.0303 1.0411 1.0411 1.7143 1.7143 1.9486 1.9486 2.3705 2.3705 2.4229 2.4229 2.5234 2.5234 2.6297 2.6297 2.8904 2.8904 3.0120 3.0120 3.1243 3.1243 3.4393 3.4393 3.8871 3.8871 4.2983 4.2983 4.4242 4.4242 4.5498 4.5498 5.2976 5.2976 5.4462 5.4462 5.6739 5.6739 5.9862 5.9862 6.1161 6.1161 7.3307 7.3307 7.4837 7.4837 7.6042 7.6042 7.8034 7.8034 8.0020 8.0020 8.5278 8.5278 8.7873 8.7873 k = 0.4551 0.3664 0.0873 ( 6900 PWs) bands (ev): -5.4626 -5.4626 -5.4596 -5.4596 -5.3862 -5.3862 -5.3526 -5.3526 -4.4457 -4.4457 -4.3451 -4.3451 -4.2926 -4.2926 -3.9607 -3.9607 -3.6627 -3.6627 -3.6443 -3.6443 -3.0917 -3.0917 -1.3019 -1.3019 1.0360 1.0360 1.0480 1.0480 1.7139 1.7139 1.9427 1.9427 2.3306 2.3306 2.3972 2.3972 2.4466 2.4466 2.5493 2.5493 2.8657 2.8657 3.0423 3.0423 3.1408 3.1408 3.4029 3.4029 3.8834 3.8834 4.3069 4.3069 4.3808 4.3808 4.5786 4.5786 5.3342 5.3342 5.3952 5.3952 5.6790 5.6790 6.0125 6.0125 6.1475 6.1475 7.3700 7.3700 7.5267 7.5267 7.5777 7.5777 7.8740 7.8740 8.0074 8.0074 8.5065 8.5065 8.8589 8.8589 k = 0.4487 0.3775 0.0873 ( 6906 PWs) bands (ev): -5.4440 -5.4440 -5.4407 -5.4407 -5.3676 -5.3676 -5.3339 -5.3339 -4.4395 -4.4395 -4.3411 -4.3411 -4.2876 -4.2876 -3.9695 -3.9695 -3.6755 -3.6755 -3.6556 -3.6556 -3.1147 -3.1147 -1.3143 -1.3143 1.0420 1.0420 1.0556 1.0556 1.7127 1.7127 1.9345 1.9345 2.2767 2.2767 2.3449 2.3449 2.4031 2.4031 2.4851 2.4851 2.8244 2.8244 3.0728 3.0728 3.1585 3.1585 3.3790 3.3790 3.8444 3.8444 4.2688 4.2688 4.3918 4.3918 4.6122 4.6122 5.3249 5.3249 5.3866 5.3866 5.6657 5.6657 6.0632 6.0632 6.1838 6.1838 7.3923 7.3923 7.4550 7.4550 7.6451 7.6451 7.9738 7.9738 8.0377 8.0377 8.5026 8.5026 8.9230 8.9230 k = 0.4423 0.3886 0.0873 ( 6904 PWs) bands (ev): -5.4230 -5.4230 -5.4193 -5.4193 -5.3467 -5.3467 -5.3128 -5.3128 -4.4329 -4.4329 -4.3373 -4.3373 -4.2826 -4.2826 -3.9801 -3.9801 -3.6900 -3.6900 -3.6683 -3.6683 -3.1402 -3.1402 -1.3280 -1.3280 1.0482 1.0482 1.0636 1.0636 1.7101 1.7101 1.9234 1.9234 2.2111 2.2111 2.2696 2.2696 2.3861 2.3861 2.4436 2.4436 2.7681 2.7681 3.1026 3.1026 3.1773 3.1773 3.3699 3.3699 3.7745 3.7745 4.2166 4.2166 4.4181 4.4181 4.6427 4.6427 5.3020 5.3020 5.3997 5.3997 5.6452 5.6452 6.1104 6.1104 6.2308 6.2308 7.3502 7.3502 7.4419 7.4419 7.6999 7.6999 8.0688 8.0688 8.1112 8.1112 8.5160 8.5160 8.9708 8.9708 k = 0.4359 0.3997 0.0873 ( 6910 PWs) bands (ev): -5.3996 -5.3996 -5.3955 -5.3955 -5.3234 -5.3234 -5.2893 -5.2893 -4.4262 -4.4262 -4.3338 -4.3338 -4.2776 -4.2776 -3.9926 -3.9926 -3.7060 -3.7060 -3.6820 -3.6820 -3.1681 -3.1681 -1.3429 -1.3429 1.0541 1.0541 1.0720 1.0720 1.7055 1.7055 1.9087 1.9087 2.1426 2.1426 2.1913 2.1913 2.3725 2.3725 2.4230 2.4230 2.7025 2.7025 3.1308 3.1308 3.1969 3.1969 3.3733 3.3733 3.6837 3.6837 4.1592 4.1592 4.4408 4.4408 4.6642 4.6642 5.2980 5.2980 5.4090 5.4090 5.6302 5.6302 6.1292 6.1292 6.2902 6.2902 7.2923 7.2923 7.4530 7.4530 7.7529 7.7529 8.1299 8.1299 8.2368 8.2368 8.5436 8.5436 8.9972 8.9972 k = 0.4295 0.4108 0.0873 ( 6906 PWs) bands (ev): -5.3738 -5.3738 -5.3693 -5.3693 -5.2976 -5.2976 -5.2634 -5.2634 -4.4196 -4.4196 -4.3312 -4.3312 -4.2731 -4.2731 -4.0072 -4.0072 -3.7234 -3.7234 -3.6966 -3.6966 -3.1982 -3.1982 -1.3590 -1.3590 1.0597 1.0597 1.0804 1.0804 1.6976 1.6976 1.8884 1.8884 2.0791 2.0791 2.1164 2.1164 2.3571 2.3571 2.4177 2.4177 2.6351 2.6351 3.1565 3.1565 3.2171 3.2171 3.3848 3.3848 3.5815 3.5815 4.0950 4.0950 4.4538 4.4538 4.6739 4.6739 5.3151 5.3151 5.4166 5.4166 5.6257 5.6257 6.1215 6.1215 6.3407 6.3407 7.2625 7.2625 7.4613 7.4613 7.8102 7.8102 8.1910 8.1910 8.3570 8.3570 8.5858 8.5858 9.0033 9.0033 k = 0.4231 0.4219 0.0873 ( 6910 PWs) bands (ev): -5.3455 -5.3455 -5.3408 -5.3408 -5.2695 -5.2695 -5.2352 -5.2352 -4.4133 -4.4133 -4.3297 -4.3297 -4.2693 -4.2693 -4.0243 -4.0243 -3.7421 -3.7421 -3.7118 -3.7118 -3.2299 -3.2299 -1.3760 -1.3760 1.0644 1.0644 1.0885 1.0885 1.6848 1.6848 1.8600 1.8600 2.0249 2.0249 2.0511 2.0511 2.3376 2.3376 2.4222 2.4222 2.5746 2.5746 3.1774 3.1774 3.2375 3.2375 3.3975 3.3975 3.4778 3.4778 4.0257 4.0257 4.4511 4.4511 4.6753 4.6753 5.3496 5.3496 5.4272 5.4272 5.6308 5.6308 6.0938 6.0938 6.3634 6.3634 7.2742 7.2742 7.4687 7.4687 7.8737 7.8737 8.2486 8.2486 8.4354 8.4354 8.6596 8.6596 8.9956 8.9956 k = 0.4167 0.4330 0.0873 ( 6902 PWs) bands (ev): -5.3150 -5.3150 -5.3099 -5.3099 -5.2391 -5.2391 -5.2046 -5.2046 -4.4079 -4.4079 -4.3298 -4.3298 -4.2669 -4.2669 -4.0440 -4.0440 -3.7618 -3.7618 -3.7273 -3.7273 -3.2631 -3.2631 -1.3938 -1.3938 1.0681 1.0681 1.0959 1.0959 1.6649 1.6649 1.8225 1.8225 1.9765 1.9765 2.0061 2.0061 2.3100 2.3100 2.4326 2.4326 2.5302 2.5302 3.1893 3.1893 3.2563 3.2563 3.3540 3.3540 3.4345 3.4345 3.9556 3.9556 4.4268 4.4268 4.6769 4.6769 5.3932 5.3932 5.4455 5.4455 5.6421 5.6421 6.0497 6.0497 6.3546 6.3546 7.3274 7.3274 7.4805 7.4805 7.9430 7.9430 8.2919 8.2919 8.4531 8.4531 8.7755 8.7755 8.9822 8.9822 k = 0.4103 0.4441 0.0873 ( 6912 PWs) bands (ev): -5.2821 -5.2821 -5.2767 -5.2767 -5.2063 -5.2063 -5.1717 -5.1717 -4.4037 -4.4037 -4.3319 -4.3319 -4.2663 -4.2663 -4.0668 -4.0668 -3.7819 -3.7819 -3.7426 -3.7426 -3.2970 -3.2970 -1.4121 -1.4121 1.0703 1.0703 1.1025 1.1025 1.6359 1.6359 1.7792 1.7792 1.9338 1.9338 1.9826 1.9826 2.2724 2.2724 2.4467 2.4467 2.5080 2.5080 3.1797 3.1797 3.2348 3.2348 3.3037 3.3037 3.4503 3.4503 3.8905 3.8905 4.3794 4.3794 4.6854 4.6854 5.4279 5.4279 5.4817 5.4817 5.6567 5.6567 5.9923 5.9923 6.3243 6.3243 7.4024 7.4024 7.5091 7.5091 8.0170 8.0170 8.3057 8.3057 8.4368 8.4368 8.9044 8.9044 8.9775 8.9775 k = 0.4038 0.4552 0.0873 ( 6914 PWs) bands (ev): -5.2469 -5.2469 -5.2413 -5.2413 -5.1713 -5.1713 -5.1366 -5.1366 -4.4012 -4.4012 -4.3366 -4.3366 -4.2682 -4.2682 -4.0929 -4.0929 -3.8020 -3.8020 -3.7572 -3.7572 -3.3312 -3.3312 -1.4306 -1.4306 1.0708 1.0708 1.1077 1.1077 1.5977 1.5977 1.7349 1.7349 1.9022 1.9022 1.9718 1.9718 2.2295 2.2295 2.4628 2.4628 2.5066 2.5066 3.1043 3.1043 3.1914 3.1914 3.3247 3.3247 3.4684 3.4684 3.8363 3.8363 4.3145 4.3145 4.7016 4.7016 5.4422 5.4422 5.5378 5.5378 5.6722 5.6722 5.9252 5.9252 6.2870 6.2870 7.4549 7.4549 7.5879 7.5879 8.0923 8.0923 8.2812 8.2812 8.4083 8.4083 8.9574 8.9574 9.0611 9.0611 k = 0.3974 0.4663 0.0873 ( 6916 PWs) bands (ev): -5.2095 -5.2095 -5.2037 -5.2037 -5.1341 -5.1341 -5.0993 -5.0993 -4.4010 -4.4010 -4.3443 -4.3443 -4.2735 -4.2735 -4.1224 -4.1224 -3.8214 -3.8214 -3.7709 -3.7709 -3.3651 -3.3651 -1.4492 -1.4492 1.0693 1.0693 1.1114 1.1114 1.5529 1.5529 1.6934 1.6934 1.8810 1.8810 1.9690 1.9690 2.1891 2.1891 2.4805 2.4805 2.5195 2.5195 2.9989 2.9989 3.1545 3.1545 3.3548 3.3548 3.4836 3.4836 3.7972 3.7972 4.2398 4.2398 4.7233 4.7233 5.4404 5.4404 5.5996 5.5996 5.6861 5.6861 5.8538 5.8538 6.2551 6.2551 7.4811 7.4811 7.7110 7.7110 8.1486 8.1486 8.2483 8.2483 8.3666 8.3666 8.9750 8.9750 9.1783 9.1783 k = 0.3910 0.4774 0.0873 ( 6908 PWs) bands (ev): -5.1699 -5.1699 -5.1640 -5.1640 -5.0946 -5.0946 -5.0599 -5.0599 -4.4039 -4.4039 -4.3555 -4.3555 -4.2830 -4.2830 -4.1556 -4.1556 -3.8392 -3.8392 -3.7833 -3.7833 -3.3979 -3.3979 -1.4676 -1.4676 1.0658 1.0658 1.1132 1.1132 1.5047 1.5047 1.6569 1.6569 1.8670 1.8670 1.9720 1.9720 2.1572 2.1572 2.5012 2.5012 2.5401 2.5401 2.8932 2.8932 3.1028 3.1028 3.3872 3.3872 3.4933 3.4933 3.7739 3.7739 4.1627 4.1627 4.7490 4.7490 5.4218 5.4218 5.6589 5.6589 5.6882 5.6882 5.7935 5.7935 6.2361 6.2361 7.5017 7.5017 7.8503 7.8503 8.1163 8.1163 8.2832 8.2832 8.3178 8.3178 8.9996 8.9996 9.2491 9.2491 k = 0.3846 0.4885 0.0873 ( 6908 PWs) bands (ev): -5.1283 -5.1283 -5.1223 -5.1223 -5.0531 -5.0531 -5.0185 -5.0185 -4.4105 -4.4105 -4.3706 -4.3706 -4.2976 -4.2976 -4.1923 -4.1923 -3.8545 -3.8545 -3.7942 -3.7942 -3.4288 -3.4288 -1.4854 -1.4854 1.0605 1.0605 1.1131 1.1131 1.4557 1.4557 1.6266 1.6266 1.8578 1.8578 1.9797 1.9797 2.1370 2.1370 2.5257 2.5257 2.5621 2.5621 2.7932 2.7932 3.0379 3.0379 3.4193 3.4193 3.4954 3.4954 3.7642 3.7642 4.0899 4.0899 4.7772 4.7772 5.3861 5.3861 5.6434 5.6434 5.7107 5.7107 5.7846 5.7846 6.2325 6.2325 7.5219 7.5219 7.9905 7.9905 8.0486 8.0486 8.2315 8.2315 8.3818 8.3818 9.0263 9.0263 9.2708 9.2708 k = 0.3782 0.4996 0.0873 ( 6914 PWs) bands (ev): -5.0847 -5.0847 -5.0787 -5.0787 -5.0096 -5.0096 -4.9752 -4.9752 -4.4217 -4.4217 -4.3898 -4.3898 -4.3179 -4.3179 -4.2325 -4.2325 -3.8666 -3.8666 -3.8037 -3.8037 -3.4572 -3.4572 -1.5023 -1.5023 1.0538 1.0538 1.1111 1.1111 1.4081 1.4081 1.6033 1.6033 1.8522 1.8522 1.9910 1.9910 2.1295 2.1295 2.5528 2.5528 2.5755 2.5755 2.7088 2.7088 2.9654 2.9654 3.4393 3.4393 3.4962 3.4962 3.7639 3.7639 4.0276 4.0276 4.8073 4.8073 5.3367 5.3367 5.5685 5.5685 5.7473 5.7473 5.8182 5.8182 6.2424 6.2424 7.5426 7.5426 7.9624 7.9624 8.1163 8.1163 8.1855 8.1855 8.4716 8.4716 9.0506 9.0506 9.2744 9.2744 k = 0.3718 0.5107 0.0873 ( 6910 PWs) bands (ev): -5.0393 -5.0393 -5.0335 -5.0335 -4.9641 -4.9641 -4.9303 -4.9303 -4.4383 -4.4383 -4.4133 -4.4133 -4.3442 -4.3442 -4.2757 -4.2757 -3.8750 -3.8750 -3.8118 -3.8118 -3.4823 -3.4823 -1.5181 -1.5181 1.0463 1.0463 1.1073 1.1073 1.3633 1.3633 1.5868 1.5868 1.8508 1.8508 2.0047 2.0047 2.1337 2.1337 2.5421 2.5421 2.5891 2.5891 2.6679 2.6679 2.8938 2.8938 3.4195 3.4195 3.5194 3.5194 3.7694 3.7694 3.9799 3.9799 4.8384 4.8384 5.2794 5.2794 5.4878 5.4878 5.7768 5.7768 5.8619 5.8619 6.2617 6.2617 7.5638 7.5638 7.8890 7.8890 8.0579 8.0579 8.3115 8.3115 8.5649 8.5649 9.0706 9.0706 9.2711 9.2711 k = 0.3654 0.5218 0.0873 ( 6898 PWs) bands (ev): -4.9925 -4.9925 -4.9869 -4.9869 -4.9170 -4.9170 -4.8839 -4.8839 -4.4610 -4.4610 -4.4408 -4.4408 -4.3761 -4.3761 -4.3213 -4.3213 -3.8795 -3.8795 -3.8190 -3.8190 -3.5038 -3.5038 -1.5324 -1.5324 1.0388 1.0388 1.1021 1.1021 1.3224 1.3224 1.5768 1.5768 1.8543 1.8543 2.0186 2.0186 2.1478 2.1478 2.4764 2.4764 2.6223 2.6223 2.6575 2.6575 2.8387 2.8387 3.3677 3.3677 3.5566 3.5566 3.7779 3.7779 3.9465 3.9465 4.8696 4.8696 5.2207 5.2207 5.4087 5.4087 5.8045 5.8045 5.9027 5.9027 6.2860 6.2860 7.5852 7.5852 7.8215 7.8215 7.9784 7.9784 8.4596 8.4596 8.6598 8.6598 9.0862 9.0862 9.2639 9.2639 k = 0.3590 0.5329 0.0873 ( 6892 PWs) bands (ev): -4.9446 -4.9446 -4.9395 -4.9395 -4.8684 -4.8684 -4.8367 -4.8367 -4.4904 -4.4904 -4.4720 -4.4720 -4.4128 -4.4128 -4.3683 -4.3683 -3.8803 -3.8803 -3.8256 -3.8256 -3.5212 -3.5212 -1.5448 -1.5448 1.0321 1.0321 1.0959 1.0959 1.2870 1.2870 1.5724 1.5724 1.8635 1.8635 2.0293 2.0293 2.1700 2.1700 2.4096 2.4096 2.6186 2.6186 2.6628 2.6628 2.8228 2.8228 3.2973 3.2973 3.5978 3.5978 3.7872 3.7872 3.9232 3.9232 4.8991 4.8991 5.1669 5.1669 5.3345 5.3345 5.8316 5.8316 5.9357 5.9357 6.3114 6.3114 7.6067 7.6067 7.7634 7.7634 7.9026 7.9026 8.6060 8.6060 8.7557 8.7557 9.0979 9.0979 9.2535 9.2535 k = 0.3526 0.5440 0.0873 ( 6886 PWs) bands (ev): -4.8966 -4.8966 -4.8921 -4.8921 -4.8192 -4.8192 -4.7895 -4.7895 -4.5262 -4.5262 -4.5067 -4.5067 -4.4525 -4.4525 -4.4153 -4.4153 -3.8779 -3.8779 -3.8321 -3.8321 -3.5344 -3.5344 -1.5551 -1.5551 1.0268 1.0268 1.0890 1.0890 1.2582 1.2582 1.5725 1.5725 1.8786 1.8786 2.0312 2.0312 2.1988 2.1988 2.3581 2.3581 2.5554 2.5554 2.7009 2.7009 2.8419 2.8419 3.2162 3.2162 3.6402 3.6402 3.7952 3.7952 3.9041 3.9041 4.9241 4.9241 5.1254 5.1254 5.2674 5.2674 5.8579 5.8579 5.9588 5.9588 6.3346 6.3346 7.6276 7.6276 7.7171 7.7171 7.8345 7.8345 8.7467 8.7467 8.8523 8.8523 9.1068 9.1068 9.2402 9.2402 k = 0.3462 0.5551 0.0873 ( 6892 PWs) bands (ev): -4.8509 -4.8509 -4.8466 -4.8466 -4.7706 -4.7706 -4.7446 -4.7446 -4.5659 -4.5659 -4.5440 -4.5440 -4.4921 -4.4921 -4.4598 -4.4598 -3.8727 -3.8727 -3.8390 -3.8390 -3.5434 -3.5434 -1.5629 -1.5629 1.0234 1.0234 1.0821 1.0821 1.2373 1.2373 1.5754 1.5754 1.8995 1.8995 2.0187 2.0187 2.2329 2.2329 2.3304 2.3304 2.4819 2.4819 2.7401 2.7401 2.8757 2.8757 3.1311 3.1311 3.6816 3.6816 3.8015 3.8015 3.8842 3.8842 4.9395 4.9395 5.1040 5.1040 5.2097 5.2097 5.8823 5.8823 5.9709 5.9709 6.3530 6.3530 7.6459 7.6459 7.6858 7.6858 7.7775 7.7775 8.8757 8.8757 8.9486 8.9486 9.1159 9.1159 9.2233 9.2233 k = 0.3397 0.5662 0.0873 ( 6896 PWs) bands (ev): -4.8135 -4.8135 -4.8076 -4.8076 -4.7271 -4.7271 -4.7084 -4.7084 -4.6036 -4.6036 -4.5789 -4.5789 -4.5251 -4.5251 -4.4970 -4.4970 -3.8652 -3.8652 -3.8468 -3.8468 -3.5487 -3.5487 -1.5678 -1.5678 1.0217 1.0217 1.0764 1.0764 1.2249 1.2249 1.5791 1.5791 1.9256 1.9256 1.9920 1.9920 2.2712 2.2712 2.3261 2.3261 2.4100 2.4100 2.7759 2.7759 2.9121 2.9121 3.0526 3.0526 3.7161 3.7161 3.8092 3.8092 3.8607 3.8607 4.9434 4.9434 5.1069 5.1069 5.1631 5.1631 5.9024 5.9024 5.9733 5.9733 6.3645 6.3645 7.6511 7.6511 7.6800 7.6800 7.7350 7.7350 8.9818 8.9818 9.0322 9.0322 9.1380 9.1380 9.1990 9.1990 k = 0.3333 0.5774 0.0873 ( 6906 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5395 -4.5395 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0213 1.0213 1.0739 1.0739 1.2209 1.2209 1.5810 1.5810 1.9507 1.9507 1.9646 1.9646 2.3085 2.3085 2.3188 2.3188 2.3687 2.3687 2.7948 2.7948 2.9302 2.9302 3.0134 3.0134 3.7303 3.7303 3.8241 3.8241 3.8381 3.8381 4.9425 4.9425 5.1253 5.1253 5.1321 5.1321 5.9116 5.9116 5.9716 5.9716 6.3684 6.3684 7.6478 7.6478 7.6878 7.6878 7.7160 7.7160 9.0316 9.0316 9.0663 9.0663 9.1588 9.1588 9.1840 9.1840 k = 0.3333 0.5774 0.0873 ( 6906 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5395 -4.5395 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0213 1.0213 1.0739 1.0739 1.2209 1.2209 1.5810 1.5810 1.9507 1.9507 1.9646 1.9646 2.3085 2.3085 2.3188 2.3188 2.3687 2.3687 2.7948 2.7948 2.9302 2.9302 3.0134 3.0134 3.7303 3.7303 3.8241 3.8241 3.8381 3.8381 4.9425 4.9425 5.1253 5.1253 5.1321 5.1321 5.9116 5.9116 5.9716 5.9716 6.3684 6.3684 7.6478 7.6478 7.6878 7.6878 7.7160 7.7160 9.0316 9.0316 9.0663 9.0663 9.1588 9.1588 9.1840 9.1840 k = 0.3269 0.5662 0.0873 ( 6882 PWs) bands (ev): -4.8156 -4.8156 -4.8099 -4.8099 -4.7267 -4.7267 -4.7077 -4.7077 -4.6032 -4.6032 -4.5790 -4.5790 -4.5228 -4.5228 -4.4960 -4.4960 -3.8668 -3.8668 -3.8454 -3.8454 -3.5488 -3.5488 -1.5677 -1.5677 1.0216 1.0216 1.0770 1.0770 1.2246 1.2246 1.5781 1.5781 1.9260 1.9260 1.9940 1.9940 2.2563 2.2563 2.3583 2.3583 2.3910 2.3910 2.7657 2.7657 2.9350 2.9350 3.0400 3.0400 3.7180 3.7180 3.7980 3.7980 3.8702 3.8702 4.9454 4.9454 5.1075 5.1075 5.1603 5.1603 5.9001 5.9001 5.9755 5.9755 6.3650 6.3650 7.6522 7.6522 7.6841 7.6841 7.7296 7.7296 8.9858 8.9858 9.0389 9.0389 9.1472 9.1472 9.1744 9.1744 k = 0.3205 0.5551 0.0873 ( 6874 PWs) bands (ev): -4.8626 -4.8626 -4.8585 -4.8585 -4.7718 -4.7718 -4.7441 -4.7441 -4.5607 -4.5607 -4.5399 -4.5399 -4.4800 -4.4800 -4.4545 -4.4545 -3.8794 -3.8794 -3.8339 -3.8339 -3.5444 -3.5444 -1.5621 -1.5621 1.0229 1.0229 1.0868 1.0868 1.2351 1.2351 1.5678 1.5678 1.9037 1.9037 2.0325 2.0325 2.1980 2.1980 2.4034 2.4034 2.4304 2.4304 2.6981 2.6981 2.9637 2.9637 3.0863 3.0863 3.6877 3.6877 3.7640 3.7640 3.9174 3.9174 4.9557 4.9557 5.1000 5.1000 5.1964 5.1964 5.8697 5.8697 5.9828 5.9828 6.3565 6.3565 7.6638 7.6638 7.6892 7.6892 7.7543 7.7543 8.8962 8.8962 8.9756 8.9756 9.1148 9.1148 9.1460 9.1460 k = 0.3141 0.5440 0.0873 ( 6874 PWs) bands (ev): -4.9242 -4.9242 -4.9196 -4.9196 -4.8263 -4.8263 -4.7930 -4.7930 -4.5087 -4.5087 -4.4904 -4.4904 -4.4249 -4.4249 -4.4032 -4.4032 -3.8939 -3.8939 -3.8217 -3.8217 -3.5373 -3.5373 -1.5525 -1.5525 1.0266 1.0266 1.1031 1.1031 1.2516 1.2516 1.5498 1.5498 1.8904 1.8904 2.0733 2.0733 2.1488 2.1488 2.4451 2.4451 2.4763 2.4763 2.6264 2.6264 3.0009 3.0009 3.1368 3.1368 3.6474 3.6474 3.7287 3.7287 3.9690 3.9690 4.9736 4.9736 5.1050 5.1050 5.2351 5.2351 5.8279 5.8279 5.9859 5.9859 6.3464 6.3464 7.6804 7.6804 7.7070 7.7070 7.7858 7.7858 8.7976 8.7976 8.8872 8.8872 9.0924 9.0924 9.1177 9.1177 k = 0.3077 0.5329 0.0873 ( 6892 PWs) bands (ev): -4.9927 -4.9927 -4.9872 -4.9872 -4.8864 -4.8864 -4.8481 -4.8481 -4.4530 -4.4530 -4.4362 -4.4362 -4.3646 -4.3646 -4.3474 -4.3474 -3.9098 -3.9098 -3.8088 -3.8088 -3.5278 -3.5278 -1.5388 -1.5388 1.0340 1.0340 1.1252 1.1252 1.2732 1.2732 1.5260 1.5260 1.8820 1.8820 2.1057 2.1057 2.1216 2.1216 2.4630 2.4630 2.5248 2.5248 2.5839 2.5839 3.0372 3.0372 3.1881 3.1881 3.6036 3.6036 3.6935 3.6935 4.0229 4.0229 4.9978 4.9978 5.1214 5.1214 5.2750 5.2750 5.7792 5.7792 5.9805 5.9805 6.3391 6.3391 7.6986 7.6986 7.7357 7.7357 7.8255 7.8255 8.6967 8.6967 8.7897 8.7897 9.0726 9.0726 9.0887 9.0887 k = 0.3013 0.5218 0.0873 ( 6900 PWs) bands (ev): -5.0652 -5.0652 -5.0586 -5.0586 -4.9502 -4.9502 -4.9069 -4.9069 -4.3969 -4.3969 -4.3801 -4.3801 -4.3023 -4.3023 -4.2885 -4.2885 -3.9262 -3.9262 -3.7953 -3.7953 -3.5157 -3.5157 -1.5208 -1.5208 1.0459 1.0459 1.1524 1.1524 1.2991 1.2991 1.5001 1.5001 1.8720 1.8720 2.0927 2.0927 2.1528 2.1528 2.4306 2.4306 2.5737 2.5737 2.6057 2.6057 3.0673 3.0673 3.2382 3.2382 3.5626 3.5626 3.6614 3.6614 4.0784 4.0784 5.0262 5.0262 5.1475 5.1475 5.3156 5.3156 5.7268 5.7268 5.9651 5.9651 6.3378 6.3378 7.7140 7.7140 7.7749 7.7749 7.8740 7.8740 8.5955 8.5955 8.6896 8.6896 9.0487 9.0487 9.0617 9.0617 k = 0.2949 0.5107 0.0873 ( 6904 PWs) bands (ev): -5.1403 -5.1403 -5.1324 -5.1324 -5.0166 -5.0166 -4.9684 -4.9684 -4.3433 -4.3433 -4.3237 -4.3237 -4.2414 -4.2414 -4.2258 -4.2258 -3.9413 -3.9413 -3.7810 -3.7810 -3.5009 -3.5009 -1.4985 -1.4985 1.0629 1.0629 1.1842 1.1842 1.3278 1.3278 1.4760 1.4760 1.8565 1.8565 2.0922 2.0922 2.1735 2.1735 2.3955 2.3955 2.6229 2.6229 2.6556 2.6556 3.0866 3.0866 3.2840 3.2840 3.5305 3.5305 3.6370 3.6370 4.1351 4.1351 5.0566 5.0566 5.1813 5.1813 5.3561 5.3561 5.6737 5.6737 5.9413 5.9413 6.3436 6.3436 7.7250 7.7250 7.8235 7.8235 7.9305 7.9305 8.4954 8.4954 8.5895 8.5895 9.0173 9.0173 9.0389 9.0389 k = 0.2885 0.4996 0.0873 ( 6902 PWs) bands (ev): -5.2171 -5.2171 -5.2077 -5.2077 -5.0851 -5.0851 -5.0319 -5.0319 -4.2962 -4.2962 -4.2681 -4.2681 -4.1836 -4.1836 -4.1593 -4.1593 -3.9514 -3.9514 -3.7652 -3.7652 -3.4829 -3.4829 -1.4719 -1.4719 1.0849 1.0849 1.2201 1.2201 1.3560 1.3560 1.4592 1.4592 1.8373 1.8373 2.0966 2.0966 2.1722 2.1722 2.3950 2.3950 2.6714 2.6714 2.7113 2.7113 3.0921 3.0921 3.3198 3.3198 3.5144 3.5144 3.6263 3.6263 4.1927 4.1927 5.0860 5.0860 5.2205 5.2205 5.3959 5.3959 5.6234 5.6234 5.9126 5.9126 6.3558 6.3558 7.7315 7.7315 7.8795 7.8795 7.9934 7.9934 8.3975 8.3975 8.4906 8.4906 8.9824 8.9824 9.0160 9.0160 k = 0.2821 0.4885 0.0873 ( 6904 PWs) bands (ev): -5.2952 -5.2952 -5.2842 -5.2842 -5.1551 -5.1551 -5.0970 -5.0970 -4.2617 -4.2617 -4.2149 -4.2149 -4.1288 -4.1288 -4.0912 -4.0912 -3.9504 -3.9504 -3.7472 -3.7472 -3.4611 -3.4611 -1.4411 -1.4411 1.1119 1.1119 1.2594 1.2594 1.3754 1.3754 1.4593 1.4593 1.8182 1.8182 2.0746 2.0746 2.1812 2.1812 2.4275 2.4275 2.7164 2.7164 2.7671 2.7671 3.0857 3.0857 3.3381 3.3381 3.5213 3.5213 3.6333 3.6333 4.2510 4.2510 5.1114 5.1114 5.2617 5.2617 5.4330 5.4330 5.5818 5.5818 5.8836 5.8836 6.3728 6.3728 7.7337 7.7337 7.9409 7.9409 8.0607 8.0607 8.3028 8.3028 8.3939 8.3939 8.9458 8.9458 8.9918 8.9918 k = 0.2756 0.4774 0.0873 ( 6902 PWs) bands (ev): -5.3740 -5.3740 -5.3613 -5.3613 -5.2263 -5.2263 -5.1633 -5.1633 -4.2459 -4.2459 -4.1659 -4.1659 -4.0775 -4.0775 -4.0237 -4.0237 -3.9309 -3.9309 -3.7258 -3.7258 -3.4349 -3.4349 -1.4062 -1.4062 1.1433 1.1433 1.3011 1.3011 1.3798 1.3798 1.4836 1.4836 1.8021 1.8021 2.0270 2.0270 2.2142 2.2142 2.4758 2.4758 2.7545 2.7545 2.8187 2.8187 3.0760 3.0760 3.3400 3.3400 3.5513 3.5513 3.6575 3.6575 4.3099 4.3099 5.1296 5.1296 5.2990 5.2990 5.4617 5.4617 5.5609 5.5609 5.8588 5.8588 6.3930 6.3930 7.7314 7.7314 8.0061 8.0061 8.1288 8.1288 8.2142 8.2142 8.3005 8.3005 8.9083 8.9083 8.9662 8.9662 k = 0.2692 0.4663 0.0873 ( 6898 PWs) bands (ev): -5.4532 -5.4532 -5.4388 -5.4388 -5.2982 -5.2982 -5.2306 -5.2306 -4.2506 -4.2506 -4.1230 -4.1230 -4.0307 -4.0307 -3.9588 -3.9588 -3.8891 -3.8891 -3.6992 -3.6992 -3.4032 -3.4032 -1.3675 -1.3675 1.1783 1.1783 1.3431 1.3431 1.3804 1.3804 1.5228 1.5228 1.7903 1.7903 1.9757 1.9757 2.2576 2.2576 2.5296 2.5296 2.7814 2.7814 2.8603 2.8603 3.0764 3.0764 3.3372 3.3372 3.5952 3.5952 3.6943 3.6943 4.3691 4.3691 5.1384 5.1384 5.3207 5.3207 5.4808 5.4808 5.5739 5.5739 5.8417 5.8417 6.4152 6.4152 7.7244 7.7244 8.0709 8.0709 8.1211 8.1211 8.2014 8.2014 8.2203 8.2203 8.8707 8.8707 8.9393 8.9393 k = 0.2628 0.4552 0.0873 ( 6902 PWs) bands (ev): -5.5325 -5.5325 -5.5164 -5.5164 -5.3707 -5.3707 -5.2986 -5.2986 -4.2719 -4.2719 -4.0878 -4.0878 -3.9902 -3.9902 -3.8967 -3.8967 -3.8294 -3.8294 -3.6658 -3.6658 -3.3654 -3.3654 -1.3253 -1.3253 1.2152 1.2152 1.3740 1.3740 1.3967 1.3967 1.5688 1.5688 1.7815 1.7815 1.9319 1.9319 2.3057 2.3057 2.5816 2.5816 2.7955 2.7955 2.8867 2.8867 3.0990 3.0990 3.3412 3.3412 3.6454 3.6454 3.7391 3.7391 4.4284 4.4284 5.1371 5.1371 5.3174 5.3174 5.5106 5.5106 5.6094 5.6094 5.8348 5.8348 6.4385 6.4385 7.7121 7.7121 8.0386 8.0386 8.1083 8.1083 8.1607 8.1607 8.2812 8.2812 8.8344 8.8344 8.9119 8.9119 k = 0.2564 0.4441 0.0873 ( 6910 PWs) bands (ev): -5.6117 -5.6117 -5.5939 -5.5939 -5.4435 -5.4435 -5.3670 -5.3670 -4.3041 -4.3041 -4.0611 -4.0611 -3.9572 -3.9572 -3.8349 -3.8349 -3.7596 -3.7596 -3.6245 -3.6245 -3.3210 -3.3210 -1.2798 -1.2798 1.2513 1.2513 1.3907 1.3907 1.4349 1.4349 1.6182 1.6182 1.7713 1.7713 1.9058 1.9058 2.3555 2.3555 2.6215 2.6215 2.8059 2.8059 2.9002 2.9002 3.1434 3.1434 3.3581 3.3581 3.6978 3.6978 3.7880 3.7880 4.4876 4.4876 5.1275 5.1275 5.2972 5.2972 5.5559 5.5559 5.6527 5.6527 5.8387 5.8387 6.4624 6.4624 7.6937 7.6937 7.9660 7.9660 8.0364 8.0364 8.2201 8.2201 8.3504 8.3504 8.8014 8.8014 8.8852 8.8852 k = 0.2500 0.4330 0.0873 ( 6920 PWs) bands (ev): -5.6905 -5.6905 -5.6711 -5.6711 -5.5163 -5.5163 -5.4357 -5.4357 -4.3436 -4.3436 -4.0430 -4.0430 -3.9324 -3.9324 -3.7722 -3.7722 -3.6849 -3.6849 -3.5750 -3.5750 -3.2699 -3.2699 -1.2313 -1.2313 1.2835 1.2835 1.4170 1.4170 1.4728 1.4728 1.6674 1.6674 1.7586 1.7586 1.9049 1.9049 2.4040 2.4040 2.6371 2.6371 2.8293 2.8293 2.9087 2.9087 3.2013 3.2013 3.3895 3.3895 3.7502 3.7502 3.8384 3.8384 4.5467 4.5467 5.1134 5.1134 5.2716 5.2716 5.6090 5.6090 5.6977 5.6977 5.8529 5.8529 6.4865 6.4865 7.6684 7.6684 7.9007 7.9007 7.9625 7.9625 8.2848 8.2848 8.4134 8.4134 8.7749 8.7749 8.8613 8.8613 k = 0.2436 0.4219 0.0873 ( 6916 PWs) bands (ev): -5.7687 -5.7687 -5.7478 -5.7478 -5.5888 -5.5888 -5.5045 -5.5045 -4.3879 -4.3879 -4.0328 -4.0328 -3.9153 -3.9153 -3.7086 -3.7086 -3.6078 -3.6078 -3.5185 -3.5185 -3.2123 -3.2123 -1.1802 -1.1802 1.3107 1.3107 1.4548 1.4548 1.5061 1.5061 1.6985 1.6985 1.7668 1.7668 1.9268 1.9268 2.4468 2.4468 2.6314 2.6314 2.8616 2.8616 2.9273 2.9273 3.2660 3.2660 3.4337 3.4337 3.8010 3.8010 3.8883 3.8883 4.6054 4.6054 5.0988 5.0988 5.2467 5.2467 5.6645 5.6645 5.7414 5.7414 5.8761 5.8761 6.5104 6.5104 7.6364 7.6364 7.8431 7.8431 7.8961 7.8961 8.3421 8.3421 8.4647 8.4647 8.7597 8.7597 8.8451 8.8451 k = 0.2372 0.4108 0.0873 ( 6908 PWs) bands (ev): -5.8462 -5.8462 -5.8237 -5.8237 -5.6610 -5.6610 -5.5731 -5.5731 -4.4356 -4.4356 -4.0296 -4.0296 -3.9053 -3.9053 -3.6447 -3.6447 -3.5293 -3.5293 -3.4564 -3.4564 -3.1489 -3.1489 -1.1269 -1.1269 1.3354 1.3354 1.4934 1.4934 1.5393 1.5393 1.7017 1.7017 1.8166 1.8166 1.9643 1.9643 2.4758 2.4758 2.6232 2.6232 2.8803 2.8803 2.9755 2.9755 3.3342 3.3342 3.4877 3.4877 3.8488 3.8488 3.9361 3.9361 4.6636 4.6636 5.0877 5.0877 5.2257 5.2257 5.7193 5.7193 5.7819 5.7819 5.9068 5.9068 6.5339 6.5339 7.5990 7.5990 7.7911 7.7911 7.8403 7.8403 8.3827 8.3827 8.5002 8.5002 8.7577 8.7577 8.8457 8.8457 k = 0.2308 0.3997 0.0873 ( 6904 PWs) bands (ev): -5.9227 -5.9227 -5.8989 -5.8989 -5.7327 -5.7327 -5.6414 -5.6414 -4.4857 -4.4857 -4.0323 -4.0323 -3.9013 -3.9013 -3.5812 -3.5812 -3.4500 -3.4500 -3.3903 -3.3903 -3.0802 -3.0802 -1.0716 -1.0716 1.3605 1.3605 1.5102 1.5102 1.5891 1.5891 1.7102 1.7102 1.8817 1.8817 2.0121 2.0121 2.4822 2.4822 2.6280 2.6280 2.8947 2.8947 3.0423 3.0423 3.4040 3.4040 3.5486 3.5486 3.8928 3.8928 3.9807 3.9807 4.7213 4.7213 5.0828 5.0828 5.2111 5.2111 5.7711 5.7711 5.8187 5.8187 5.9425 5.9425 6.5570 6.5570 7.5595 7.5595 7.7424 7.7424 7.7966 7.7966 8.3968 8.3968 8.5216 8.5216 8.7671 8.7671 8.8719 8.8719 k = 0.2244 0.3886 0.0873 ( 6908 PWs) bands (ev): -5.9982 -5.9982 -5.9731 -5.9731 -5.8036 -5.8036 -5.7092 -5.7092 -4.5376 -4.5376 -4.0401 -4.0401 -3.9024 -3.9024 -3.5183 -3.5183 -3.3702 -3.3702 -3.3214 -3.3214 -3.0073 -3.0073 -1.0149 -1.0149 1.3875 1.3875 1.5089 1.5089 1.6526 1.6526 1.7332 1.7332 1.9531 1.9531 2.0665 2.0665 2.4702 2.4702 2.6447 2.6447 2.9175 2.9175 3.1160 3.1160 3.4741 3.4741 3.6143 3.6143 3.9325 3.9325 4.0211 4.0211 4.7785 4.7785 5.0861 5.0861 5.2046 5.2046 5.8172 5.8172 5.8530 5.8530 5.9802 5.9802 6.5791 6.5791 7.5211 7.5211 7.6986 7.6986 7.7626 7.7626 8.3852 8.3852 8.5278 8.5278 8.7905 8.7905 8.9192 8.9192 k = 0.2179 0.3775 0.0873 ( 6906 PWs) bands (ev): -6.0726 -6.0726 -6.0462 -6.0462 -5.8737 -5.8737 -5.7763 -5.7763 -4.5908 -4.5908 -4.0519 -4.0519 -3.9078 -3.9078 -3.4567 -3.4567 -3.2905 -3.2905 -3.2508 -3.2508 -2.9307 -2.9307 -0.9570 -0.9570 1.4172 1.4172 1.5017 1.5017 1.7212 1.7212 1.7694 1.7694 2.0281 2.0281 2.1252 2.1252 2.4522 2.4522 2.6641 2.6641 2.9523 2.9523 3.1929 3.1929 3.5433 3.5433 3.6830 3.6830 3.9680 3.9680 4.0570 4.0570 4.8355 4.8355 5.0988 5.0988 5.2076 5.2076 5.8550 5.8550 5.8869 5.8869 6.0172 6.0172 6.6001 6.6001 7.4866 7.4866 7.6625 7.6625 7.7351 7.7351 8.3573 8.3573 8.5171 8.5171 8.8288 8.8288 8.9746 8.9746 k = 0.2115 0.3664 0.0873 ( 6906 PWs) bands (ev): -6.1456 -6.1456 -6.1180 -6.1180 -5.9428 -5.9428 -5.8427 -5.8427 -4.6447 -4.6447 -4.0673 -4.0673 -3.9168 -3.9168 -3.3966 -3.3966 -3.2110 -3.2110 -3.1793 -3.1793 -2.8511 -2.8511 -0.8983 -0.8983 1.4491 1.4491 1.4958 1.4958 1.7871 1.7871 1.8209 1.8209 2.1048 2.1048 2.1865 2.1865 2.4366 2.4366 2.6837 2.6837 2.9980 2.9980 3.2710 3.2710 3.6107 3.6107 3.7533 3.7533 4.0003 4.0003 4.0886 4.0886 4.8925 4.8925 5.1209 5.1209 5.2208 5.2208 5.8843 5.8843 5.9198 5.9198 6.0512 6.0512 6.6194 6.6194 7.4573 7.4573 7.6363 7.6363 7.7129 7.7129 8.3208 8.3208 8.4936 8.4936 8.8734 8.8734 9.0135 9.0135 k = 0.2051 0.3553 0.0873 ( 6898 PWs) bands (ev): -6.2173 -6.2173 -6.1886 -6.1886 -6.0107 -6.0107 -5.9081 -5.9081 -4.6992 -4.6992 -4.0855 -4.0855 -3.9290 -3.9290 -3.3385 -3.3385 -3.1321 -3.1321 -3.1074 -3.1074 -2.7692 -2.7692 -0.8390 -0.8390 1.4781 1.4781 1.4995 1.4995 1.8446 1.8446 1.8902 1.8902 2.1796 2.1796 2.2501 2.2501 2.4290 2.4290 2.7051 2.7051 3.0516 3.0516 3.3489 3.3489 3.6749 3.6749 3.8241 3.8241 4.0314 4.0314 4.1171 4.1171 4.9499 4.9499 5.1521 5.1521 5.2440 5.2440 5.9075 5.9075 5.9487 5.9487 6.0809 6.0809 6.6364 6.6364 7.4332 7.4332 7.6211 7.6211 7.6965 7.6965 8.2800 8.2800 8.4627 8.4627 8.9025 8.9025 8.9850 8.9850 k = 0.1987 0.3442 0.0873 ( 6898 PWs) bands (ev): -6.2874 -6.2874 -6.2577 -6.2577 -6.0774 -6.0774 -5.9725 -5.9725 -4.7538 -4.7538 -4.1062 -4.1062 -3.9438 -3.9438 -3.2825 -3.2825 -3.0542 -3.0542 -3.0357 -3.0357 -2.6854 -2.6854 -0.7795 -0.7795 1.4890 1.4890 1.5296 1.5296 1.9015 1.9015 1.9671 1.9671 2.2456 2.2456 2.3180 2.3180 2.4355 2.4355 2.7308 2.7308 3.1102 3.1102 3.4252 3.4252 3.7346 3.7346 3.8942 3.8942 4.0636 4.0636 4.1446 4.1446 5.0079 5.0079 5.1911 5.1911 5.2764 5.2764 5.9264 5.9264 5.9718 5.9718 6.1059 6.1059 6.6504 6.6504 7.4131 7.4131 7.6178 7.6178 7.6872 7.6872 8.2371 8.2371 8.4277 8.4277 8.8636 8.8636 8.9744 8.9744 k = 0.1923 0.3331 0.0873 ( 6898 PWs) bands (ev): -6.3560 -6.3560 -6.3253 -6.3253 -6.1428 -6.1428 -6.0357 -6.0357 -4.8082 -4.8082 -4.1289 -4.1289 -3.9609 -3.9609 -3.2292 -3.2292 -2.9778 -2.9778 -2.9645 -2.9645 -2.6003 -2.6003 -0.7201 -0.7201 1.4990 1.4990 1.5693 1.5693 1.9622 1.9622 2.0443 2.0443 2.2966 2.2966 2.3908 2.3908 2.4638 2.4638 2.7627 2.7627 3.1715 3.1715 3.4978 3.4978 3.7893 3.7893 3.9624 3.9624 4.0993 4.0993 4.1743 4.1743 5.0662 5.0662 5.2367 5.2367 5.3170 5.3170 5.9414 5.9414 5.9886 5.9886 6.1263 6.1263 6.6612 6.6612 7.3948 7.3948 7.6260 7.6260 7.6873 7.6873 8.1936 8.1936 8.3906 8.3906 8.7916 8.7916 8.9020 8.9020 k = 0.1859 0.3220 0.0873 ( 6896 PWs) bands (ev): -6.4229 -6.4229 -6.3913 -6.3913 -6.2067 -6.2067 -6.0976 -6.0976 -4.8624 -4.8624 -4.1533 -4.1533 -3.9799 -3.9799 -3.1786 -3.1786 -2.9036 -2.9036 -2.8936 -2.8936 -2.5141 -2.5141 -0.6608 -0.6608 1.5151 1.5151 1.6122 1.6122 2.0272 2.0272 2.1174 2.1174 2.3379 2.3379 2.4615 2.4615 2.5191 2.5191 2.8011 2.8011 3.2341 3.2341 3.5639 3.5639 3.8402 3.8402 4.0278 4.0278 4.1390 4.1390 4.2106 4.2106 5.1243 5.1243 5.2872 5.2872 5.3642 5.3642 5.9527 5.9527 6.0000 6.0000 6.1431 6.1431 6.6687 6.6687 7.3757 7.3757 7.6446 7.6446 7.6983 7.6983 8.1506 8.1506 8.3528 8.3528 8.7150 8.7150 8.8179 8.8179 k = 0.1795 0.3109 0.0873 ( 6900 PWs) bands (ev): -6.4880 -6.4880 -6.4556 -6.4556 -6.2691 -6.2691 -6.1581 -6.1581 -4.9159 -4.9159 -4.1790 -4.1790 -4.0005 -4.0005 -3.1310 -3.1310 -2.8329 -2.8329 -2.8227 -2.8227 -2.4274 -2.4274 -0.6019 -0.6019 1.5382 1.5382 1.6573 1.6573 2.0967 2.0967 2.1809 2.1809 2.3832 2.3832 2.5265 2.5265 2.5967 2.5967 2.8456 2.8456 3.2969 3.2969 3.6201 3.6201 3.8908 3.8908 4.0891 4.0891 4.1826 4.1826 4.2571 4.2571 5.1816 5.1816 5.3410 5.3410 5.4163 5.4163 5.9605 5.9605 6.0074 6.0074 6.1578 6.1578 6.6731 6.6731 7.3540 7.3540 7.6715 7.6715 7.7208 7.7208 8.1093 8.1093 8.3155 8.3155 8.6382 8.6382 8.7329 8.7329 k = 0.1731 0.2998 0.0873 ( 6892 PWs) bands (ev): -6.5514 -6.5514 -6.5181 -6.5181 -6.3299 -6.3299 -6.2172 -6.2172 -4.9688 -4.9688 -4.2058 -4.2058 -4.0223 -4.0223 -3.0867 -3.0867 -2.7656 -2.7656 -2.7521 -2.7521 -2.3405 -2.3405 -0.5434 -0.5434 1.5684 1.5684 1.7044 1.7044 2.1701 2.1701 2.2324 2.2324 2.4420 2.4420 2.5919 2.5919 2.6842 2.6842 2.8949 2.8949 3.3592 3.3592 3.6641 3.6641 3.9454 3.9454 4.1457 4.1457 4.2314 4.2314 4.3137 4.3137 5.2371 5.2371 5.3966 5.3966 5.4712 5.4712 5.9652 5.9652 6.0127 6.0127 6.1722 6.1722 6.6751 6.6751 7.3289 7.3289 7.7032 7.7032 7.7529 7.7529 8.0714 8.0714 8.2799 8.2799 8.5626 8.5626 8.6479 8.6479 k = 0.1667 0.2887 0.0873 ( 6890 PWs) bands (ev): -6.6128 -6.6128 -6.5789 -6.5789 -6.3890 -6.3890 -6.2747 -6.2747 -5.0207 -5.0207 -4.2333 -4.2333 -4.0453 -4.0453 -3.0456 -3.0456 -2.7013 -2.7013 -2.6831 -2.6831 -2.2537 -2.2537 -0.4855 -0.4855 1.6060 1.6060 1.7536 1.7536 2.2456 2.2456 2.2766 2.2766 2.5142 2.5142 2.6613 2.6613 2.7754 2.7754 2.9474 2.9474 3.4204 3.4204 3.6964 3.6964 4.0057 4.0057 4.1987 4.1987 4.2872 4.2872 4.3772 4.3772 5.2903 5.2903 5.4520 5.4520 5.5262 5.5262 5.9673 5.9673 6.0188 6.0188 6.1882 6.1882 6.6755 6.6755 7.3007 7.3007 7.7349 7.7349 7.7909 7.7909 8.0397 8.0397 8.2477 8.2477 8.4894 8.4894 8.5634 8.5634 k = 0.1603 0.2776 0.0873 ( 6878 PWs) bands (ev): -6.6724 -6.6724 -6.6377 -6.6377 -6.4464 -6.4464 -6.3306 -6.3306 -5.0715 -5.0715 -4.2615 -4.2615 -4.0690 -4.0690 -3.0081 -3.0081 -2.6398 -2.6398 -2.6164 -2.6164 -2.1673 -2.1673 -0.4282 -0.4282 1.6506 1.6506 1.8051 1.8051 2.3065 2.3065 2.3361 2.3361 2.5946 2.5946 2.7357 2.7357 2.8679 2.8679 3.0016 3.0016 3.4800 3.4800 3.7207 3.7207 4.0706 4.0706 4.2518 4.2518 4.3486 4.3486 4.4445 4.4445 5.3406 5.3406 5.5048 5.5048 5.5784 5.5784 5.9678 5.9678 6.0286 6.0286 6.2075 6.2075 6.6753 6.6753 7.2699 7.2699 7.7601 7.7601 7.8276 7.8276 8.0200 8.0200 8.2210 8.2210 8.4201 8.4201 8.4800 8.4800 k = 0.1538 0.2665 0.0873 ( 6878 PWs) bands (ev): -6.7299 -6.7299 -6.6947 -6.6947 -6.5019 -6.5019 -6.3848 -6.3848 -5.1212 -5.1212 -4.2899 -4.2899 -4.0932 -4.0932 -2.9739 -2.9739 -2.5811 -2.5811 -2.5524 -2.5524 -2.0817 -2.0817 -0.3715 -0.3715 1.7022 1.7022 1.8591 1.8591 2.3499 2.3499 2.4178 2.4178 2.6794 2.6794 2.8152 2.8152 2.9605 2.9605 3.0566 3.0566 3.5371 3.5371 3.7422 3.7422 4.1373 4.1373 4.3089 4.3089 4.4132 4.4132 4.5133 4.5133 5.3880 5.3880 5.5527 5.5527 5.6250 5.6250 5.9677 5.9677 6.0460 6.0460 6.2318 6.2318 6.6754 6.6754 7.2373 7.2373 7.7718 7.7718 7.8514 7.8514 8.0209 8.0209 8.2015 8.2015 8.3576 8.3576 8.3992 8.3992 k = 0.1474 0.2554 0.0873 ( 6862 PWs) bands (ev): -6.7854 -6.7854 -6.7496 -6.7496 -6.5555 -6.5555 -6.4371 -6.4371 -5.1695 -5.1695 -4.3185 -4.3185 -4.1179 -4.1179 -2.9433 -2.9433 -2.5254 -2.5254 -2.4915 -2.4915 -1.9972 -1.9972 -0.3154 -0.3154 1.7605 1.7605 1.9162 1.9162 2.3952 2.3952 2.5044 2.5044 2.7666 2.7666 2.8987 2.8987 3.0520 3.0520 3.1123 3.1123 3.5901 3.5901 3.7665 3.7665 4.2034 4.2034 4.3720 4.3720 4.4794 4.4794 4.5822 4.5822 5.4322 5.4322 5.5933 5.5933 5.6639 5.6639 5.9676 5.9676 6.0737 6.0737 6.2617 6.2617 6.6769 6.6769 7.2034 7.2034 7.7662 7.7662 7.8533 7.8533 8.0436 8.0436 8.1871 8.1871 8.3020 8.3020 8.3307 8.3307 k = 0.1410 0.2443 0.0873 ( 6860 PWs) bands (ev): -6.8388 -6.8388 -6.8025 -6.8025 -6.6072 -6.6072 -6.4877 -6.4877 -5.2164 -5.2164 -4.3470 -4.3470 -4.1427 -4.1427 -2.9161 -2.9161 -2.4728 -2.4728 -2.4338 -2.4338 -1.9142 -1.9142 -0.2600 -0.2600 1.8253 1.8253 1.9766 1.9766 2.4453 2.4453 2.5932 2.5932 2.8552 2.8552 2.9845 2.9845 3.1399 3.1399 3.1706 3.1706 3.6373 3.6373 3.7985 3.7985 4.2675 4.2675 4.4408 4.4408 4.5465 4.5465 4.6503 4.6503 5.4729 5.4729 5.6257 5.6257 5.6954 5.6954 5.9678 5.9678 6.1127 6.1127 6.2969 6.2969 6.6814 6.6814 7.1690 7.1690 7.7464 7.7464 7.8352 7.8352 8.0658 8.0658 8.1735 8.1735 8.2383 8.2383 8.3067 8.3067 k = 0.1346 0.2332 0.0873 ( 6872 PWs) bands (ev): -6.8901 -6.8901 -6.8533 -6.8533 -6.6568 -6.6568 -6.5363 -6.5363 -5.2618 -5.2618 -4.3753 -4.3753 -4.1675 -4.1675 -2.8921 -2.8921 -2.4234 -2.4234 -2.3795 -2.3795 -1.8328 -1.8328 -0.2053 -0.2053 1.8963 1.8963 2.0408 2.0408 2.5009 2.5009 2.6832 2.6832 2.9448 2.9448 3.0707 3.0707 3.2134 3.2134 3.2426 3.2426 3.6782 3.6782 3.8408 3.8408 4.3296 4.3296 4.5135 4.5135 4.6142 4.6142 4.7166 4.7166 5.5097 5.5097 5.6506 5.6506 5.7220 5.7220 5.9681 5.9681 6.1610 6.1610 6.3358 6.3358 6.6903 6.6903 7.1348 7.1348 7.7177 7.7177 7.8027 7.8027 8.0502 8.0502 8.1459 8.1459 8.2127 8.2127 8.3170 8.3170 k = 0.1282 0.2221 0.0873 ( 6864 PWs) bands (ev): -6.9393 -6.9393 -6.9020 -6.9020 -6.7045 -6.7045 -6.5830 -6.5830 -5.3056 -5.3056 -4.4031 -4.4031 -4.1921 -4.1921 -2.8713 -2.8713 -2.3773 -2.3773 -2.3287 -2.3287 -1.7534 -1.7534 -0.1514 -0.1514 1.9734 1.9734 2.1091 2.1091 2.5622 2.5622 2.7732 2.7732 3.0352 3.0352 3.1551 3.1551 3.2746 3.2746 3.3271 3.3271 3.7157 3.7157 3.8926 3.8926 4.3900 4.3900 4.5868 4.5868 4.6830 4.6830 4.7807 4.7807 5.5419 5.5419 5.6701 5.6701 5.7478 5.7478 5.9683 5.9683 6.2145 6.2145 6.3754 6.3754 6.7053 6.7053 7.1020 7.1020 7.6838 7.6838 7.7611 7.7611 8.0009 8.0009 8.0879 8.0879 8.2444 8.2444 8.3399 8.3399 k = 0.1218 0.2110 0.0873 ( 6866 PWs) bands (ev): -6.9862 -6.9862 -6.9485 -6.9485 -6.7500 -6.7500 -6.6277 -6.6277 -5.3476 -5.3476 -4.4304 -4.4304 -4.2164 -4.2164 -2.8535 -2.8535 -2.3345 -2.3345 -2.2816 -2.2816 -1.6764 -1.6764 -0.0984 -0.0984 2.0562 2.0562 2.1818 2.1818 2.6286 2.6286 2.8619 2.8619 3.1256 3.1256 3.2362 3.2362 3.3360 3.3360 3.4126 3.4126 3.7540 3.7540 3.9508 3.9508 4.4490 4.4490 4.6570 4.6570 4.7537 4.7537 4.8426 4.8426 5.5691 5.5691 5.6872 5.6872 5.7764 5.7764 5.9684 5.9684 6.2676 6.2676 6.4129 6.4129 6.7275 6.7275 7.0720 7.0720 7.6454 7.6454 7.7157 7.7157 7.9391 7.9391 8.0321 8.0321 8.2767 8.2767 8.3641 8.3641 k = 0.1154 0.1999 0.0873 ( 6862 PWs) bands (ev): -7.0309 -7.0309 -6.9928 -6.9928 -6.7935 -6.7935 -6.6703 -6.6703 -5.3878 -5.3878 -4.4571 -4.4571 -4.2402 -4.2402 -2.8385 -2.8385 -2.2951 -2.2951 -2.2382 -2.2382 -1.6020 -1.6020 -0.0464 -0.0464 2.1447 2.1447 2.2590 2.2590 2.6997 2.6997 2.9479 2.9479 3.2155 3.2155 3.3138 3.3138 3.3998 3.3998 3.4971 3.4971 3.7964 3.7964 4.0124 4.0124 4.5068 4.5068 4.7207 4.7207 4.8261 4.8261 4.9033 4.9033 5.5914 5.5914 5.7050 5.7050 5.8100 5.8100 5.9688 5.9688 6.3148 6.3148 6.4461 6.4461 6.7557 6.7557 7.0473 7.0473 7.6022 7.6022 7.6717 7.6717 7.8742 7.8742 7.9817 7.9817 8.2862 8.2862 8.3871 8.3871 k = 0.1090 0.1887 0.0873 ( 6846 PWs) bands (ev): -7.0733 -7.0733 -7.0349 -7.0349 -6.8347 -6.8347 -6.7108 -6.7108 -5.4262 -5.4262 -4.4829 -4.4829 -4.2633 -4.2633 -2.8259 -2.8259 -2.2589 -2.2589 -2.1984 -2.1984 -1.5304 -1.5304 0.0043 0.0043 2.2385 2.2385 2.3409 2.3409 2.7746 2.7746 3.0296 3.0296 3.3044 3.3044 3.3885 3.3885 3.4661 3.4661 3.5803 3.5803 3.8443 3.8443 4.0755 4.0755 4.5636 4.5636 4.7760 4.7760 4.8963 4.8963 4.9664 4.9664 5.6097 5.6097 5.7258 5.7258 5.8482 5.8482 5.9714 5.9714 6.3512 6.3512 6.4731 6.4731 6.7864 6.7864 7.0313 7.0313 7.5551 7.5551 7.6321 7.6321 7.8115 7.8115 7.9349 7.9349 8.2627 8.2627 8.4054 8.4054 k = 0.1026 0.1776 0.0873 ( 6854 PWs) bands (ev): -7.1135 -7.1135 -7.0747 -7.0747 -6.8738 -6.8738 -6.7492 -6.7492 -5.4627 -5.4627 -4.5078 -4.5078 -4.2858 -4.2858 -2.8157 -2.8157 -2.2260 -2.2260 -2.1623 -2.1623 -1.4619 -1.4619 0.0537 0.0537 2.3374 2.3374 2.4273 2.4273 2.8524 2.8524 3.1062 3.1062 3.3925 3.3925 3.4599 3.4599 3.5359 3.5359 3.6617 3.6617 3.8975 3.8975 4.1385 4.1385 4.6198 4.6198 4.8227 4.8227 4.9572 4.9572 5.0377 5.0377 5.6250 5.6250 5.7511 5.7511 5.8866 5.8866 5.9809 5.9809 6.3751 6.3751 6.4908 6.4908 6.8137 6.8137 7.0274 7.0274 7.5078 7.5078 7.5971 7.5971 7.7547 7.7547 7.8903 7.8903 8.2099 8.2099 8.4047 8.4047 k = 0.0962 0.1665 0.0873 ( 6846 PWs) bands (ev): -7.1513 -7.1513 -7.1122 -7.1122 -6.9107 -6.9107 -6.7854 -6.7854 -5.4972 -5.4972 -4.5316 -4.5316 -4.3074 -4.3074 -2.8076 -2.8076 -2.1961 -2.1961 -2.1295 -2.1295 -1.3968 -1.3968 0.1013 0.1013 2.4412 2.4412 2.5183 2.5183 2.9319 2.9319 3.1773 3.1773 3.4803 3.4803 3.5274 3.5274 3.6101 3.6101 3.7405 3.7405 3.9545 3.9545 4.2004 4.2004 4.6757 4.6757 4.8613 4.8613 5.0072 5.0072 5.1178 5.1178 5.6381 5.6381 5.7795 5.7795 5.9173 5.9173 6.0069 6.0069 6.3875 6.3875 6.4962 6.4962 6.8313 6.8313 7.0375 7.0375 7.4643 7.4643 7.5651 7.5651 7.7073 7.7073 7.8459 7.8459 8.1367 8.1367 8.3699 8.3699 k = 0.0897 0.1554 0.0873 ( 6836 PWs) bands (ev): -7.1868 -7.1868 -7.1474 -7.1474 -6.9453 -6.9453 -6.8195 -6.8195 -5.5297 -5.5297 -4.5543 -4.5543 -4.3281 -4.3281 -2.8012 -2.8012 -2.1693 -2.1693 -2.1002 -2.1002 -1.3353 -1.3353 0.1471 0.1471 2.5494 2.5494 2.6135 2.6135 3.0121 3.0121 3.2435 3.2435 3.5673 3.5673 3.5923 3.5923 3.6882 3.6882 3.8160 3.8160 4.0133 4.0133 4.2596 4.2596 4.7321 4.7321 4.8931 4.8931 5.0503 5.0503 5.2025 5.2025 5.6493 5.6493 5.8059 5.8059 5.9412 5.9412 6.0509 6.0509 6.3894 6.3894 6.4914 6.4914 6.8335 6.8335 7.0598 7.0598 7.4264 7.4264 7.5353 7.5353 7.6713 7.6713 7.7996 7.7996 8.0551 8.0551 8.3024 8.3024 k = 0.0833 0.1443 0.0873 ( 6832 PWs) bands (ev): -7.2199 -7.2199 -7.1803 -7.1803 -6.9776 -6.9776 -6.8513 -6.8513 -5.5602 -5.5602 -4.5758 -4.5758 -4.3477 -4.3477 -2.7964 -2.7964 -2.1452 -2.1452 -2.0740 -2.0740 -1.2775 -1.2775 0.1907 0.1907 2.6617 2.6617 2.7125 2.7125 3.0917 3.0917 3.3061 3.3061 3.6468 3.6468 3.6630 3.6630 3.7677 3.7677 3.8873 3.8873 4.0718 4.0718 4.3149 4.3149 4.7890 4.7890 4.9198 4.9198 5.0897 5.0897 5.2881 5.2881 5.6589 5.6589 5.8218 5.8218 5.9723 5.9723 6.1013 6.1013 6.3806 6.3806 6.4850 6.4850 6.8182 6.8182 7.0893 7.0893 7.3923 7.3923 7.5063 7.5063 7.6442 7.6442 7.7523 7.7523 7.9794 7.9794 8.2140 8.2140 k = 0.0769 0.1332 0.0873 ( 6844 PWs) bands (ev): -7.2507 -7.2507 -7.2108 -7.2108 -7.0076 -7.0076 -6.8808 -6.8808 -5.5885 -5.5885 -4.5960 -4.5960 -4.3661 -4.3661 -2.7929 -2.7929 -2.1239 -2.1239 -2.0509 -2.0509 -1.2237 -1.2237 0.2319 0.2319 2.7774 2.7774 2.8149 2.8149 3.1698 3.1698 3.3662 3.3662 3.7130 3.7130 3.7460 3.7460 3.8460 3.8460 3.9541 3.9541 4.1283 4.1283 4.3647 4.3647 4.8450 4.8450 4.9456 4.9456 5.1274 5.1274 5.3713 5.3713 5.6676 5.6676 5.8243 5.8243 6.0159 6.0159 6.1431 6.1431 6.3679 6.3679 6.4859 6.4859 6.7886 6.7886 7.1196 7.1196 7.3583 7.3583 7.4731 7.4731 7.6121 7.6121 7.7191 7.7191 7.9210 7.9210 8.1137 8.1137 k = 0.0705 0.1221 0.0873 ( 6828 PWs) bands (ev): -7.2790 -7.2790 -7.2390 -7.2390 -7.0352 -7.0352 -6.9081 -6.9081 -5.6147 -5.6147 -4.6149 -4.6149 -4.3834 -4.3834 -2.7906 -2.7906 -2.1050 -2.1050 -2.0305 -2.0305 -1.1739 -1.1739 0.2705 0.2705 2.8956 2.8956 2.9202 2.9202 3.2460 3.2460 3.4251 3.4251 3.7777 3.7777 3.8286 3.8286 3.9215 3.9215 4.0161 4.0161 4.1818 4.1818 4.4074 4.4074 4.8932 4.8932 4.9793 4.9793 5.1648 5.1648 5.4468 5.4468 5.6773 5.6773 5.8179 5.8179 6.0649 6.0649 6.1575 6.1575 6.3708 6.3708 6.4973 6.4973 6.7517 6.7517 7.1442 7.1442 7.3203 7.3203 7.4260 7.4260 7.5689 7.5689 7.7173 7.7173 7.8822 7.8822 8.0065 8.0065 k = 0.0641 0.1110 0.0873 ( 6824 PWs) bands (ev): -7.3050 -7.3050 -7.2647 -7.2647 -7.0606 -7.0606 -6.9330 -6.9330 -5.6387 -5.6387 -4.6323 -4.6323 -4.3994 -4.3994 -2.7891 -2.7891 -2.0885 -2.0885 -2.0128 -2.0128 -1.1282 -1.1282 0.3062 0.3062 3.0137 3.0137 3.0287 3.0287 3.3203 3.3203 3.4835 3.4835 3.8427 3.8427 3.9070 3.9070 3.9929 3.9929 4.0733 4.0733 4.2316 4.2316 4.4423 4.4423 4.9249 4.9249 5.0301 5.0301 5.2021 5.2021 5.5034 5.5034 5.6936 5.6936 5.8097 5.8097 6.1017 6.1017 6.1481 6.1481 6.3976 6.3976 6.5194 6.5194 6.7169 6.7169 7.1575 7.1575 7.2684 7.2684 7.3724 7.3724 7.5330 7.5330 7.7362 7.7362 7.8569 7.8569 7.8964 7.8964 k = 0.0577 0.0999 0.0873 ( 6822 PWs) bands (ev): -7.3285 -7.3285 -7.2881 -7.2881 -7.0835 -7.0835 -6.9557 -6.9557 -5.6605 -5.6605 -4.6482 -4.6482 -4.4141 -4.4141 -2.7884 -2.7884 -2.0741 -2.0741 -1.9974 -1.9974 -1.0868 -1.0868 0.3389 0.3389 3.1253 3.1253 3.1433 3.1433 3.3935 3.3935 3.5423 3.5423 3.9072 3.9072 3.9792 3.9792 4.0593 4.0593 4.1260 4.1260 4.2776 4.2776 4.4693 4.4693 4.9451 4.9451 5.0900 5.0900 5.2397 5.2397 5.5271 5.5271 5.7198 5.7198 5.8112 5.8112 6.0835 6.0835 6.1707 6.1707 6.4317 6.4317 6.5483 6.5483 6.6946 6.6946 7.1482 7.1482 7.2003 7.2003 7.3401 7.3401 7.5060 7.5060 7.7581 7.7581 7.7845 7.7845 7.8450 7.8450 k = 0.0513 0.0888 0.0873 ( 6818 PWs) bands (ev): -7.3495 -7.3495 -7.3090 -7.3090 -7.1041 -7.1041 -6.9760 -6.9760 -5.6800 -5.6800 -4.6625 -4.6625 -4.4273 -4.4273 -2.7881 -2.7881 -2.0618 -2.0618 -1.9843 -1.9843 -1.0497 -1.0497 0.3684 0.3684 3.2292 3.2292 3.2600 3.2600 3.4682 3.4682 3.6024 3.6024 3.9694 3.9694 4.0438 4.0438 4.1200 4.1200 4.1745 4.1745 4.3197 4.3197 4.4892 4.4892 4.9621 4.9621 5.1407 5.1407 5.2798 5.2798 5.5180 5.5180 5.7403 5.7403 5.8379 5.8379 6.0514 6.0514 6.2008 6.2008 6.4608 6.4608 6.5714 6.5714 6.6931 6.6931 7.0898 7.0898 7.1625 7.1625 7.3310 7.3310 7.4831 7.4831 7.6629 7.6629 7.7919 7.7919 7.8354 7.8354 k = 0.0449 0.0777 0.0873 ( 6818 PWs) bands (ev): -7.3682 -7.3682 -7.3275 -7.3275 -7.1223 -7.1223 -6.9939 -6.9939 -5.6973 -5.6973 -4.6753 -4.6753 -4.4391 -4.4391 -2.7883 -2.7883 -2.0513 -2.0513 -1.9731 -1.9731 -1.0169 -1.0169 0.3946 0.3946 3.3250 3.3250 3.3706 3.3706 3.5484 3.5484 3.6649 3.6649 4.0274 4.0274 4.0995 4.0995 4.1747 4.1747 4.2195 4.2195 4.3578 4.3578 4.5031 4.5031 4.9787 4.9787 5.1623 5.1623 5.3236 5.3236 5.4934 5.4934 5.7549 5.7549 5.8737 5.8737 6.0408 6.0408 6.2240 6.2240 6.4828 6.4828 6.5763 6.5763 6.7009 6.7009 7.0380 7.0380 7.1347 7.1347 7.3348 7.3348 7.4626 7.4626 7.5530 7.5530 7.7993 7.7993 7.8395 7.8395 k = 0.0385 0.0666 0.0873 ( 6814 PWs) bands (ev): -7.3843 -7.3843 -7.3435 -7.3435 -7.1381 -7.1381 -7.0095 -7.0095 -5.7124 -5.7124 -4.6864 -4.6864 -4.4494 -4.4494 -2.7888 -2.7888 -2.0425 -2.0425 -1.9639 -1.9639 -0.9885 -0.9885 0.4174 0.4174 3.4092 3.4092 3.4680 3.4680 3.6390 3.6390 3.7319 3.7319 4.0798 4.0798 4.1456 4.1456 4.2235 4.2235 4.2621 4.2621 4.3913 4.3913 4.5123 4.5123 4.9926 4.9926 5.1467 5.1467 5.3497 5.3497 5.4860 5.4860 5.7775 5.7775 5.8878 5.8878 6.0694 6.0694 6.2436 6.2436 6.4917 6.4917 6.5618 6.5618 6.6992 6.6992 7.0351 7.0351 7.1005 7.1005 7.3389 7.3389 7.4302 7.4302 7.4725 7.4725 7.7853 7.7853 7.8418 7.8418 k = 0.0321 0.0555 0.0873 ( 6796 PWs) bands (ev): -7.3980 -7.3980 -7.3571 -7.3571 -7.1515 -7.1515 -7.0227 -7.0227 -5.7251 -5.7251 -4.6959 -4.6959 -4.4582 -4.4582 -2.7893 -2.7893 -2.0352 -2.0352 -1.9563 -1.9563 -0.9645 -0.9645 0.4367 0.4367 3.4787 3.4787 3.5476 3.5476 3.7394 3.7394 3.8048 3.8048 4.1256 4.1256 4.1818 4.1818 4.2675 4.2675 4.3039 4.3039 4.4191 4.4191 4.5181 4.5181 4.9932 4.9932 5.0996 5.0996 5.3403 5.3403 5.5213 5.5213 5.8087 5.8087 5.8871 5.8871 6.1235 6.1235 6.2669 6.2669 6.4478 6.4478 6.5652 6.5652 6.6962 6.6962 7.0387 7.0387 7.0875 7.0875 7.3074 7.3074 7.3847 7.3847 7.4626 7.4626 7.7415 7.7415 7.8023 7.8023 k = 0.0256 0.0444 0.0873 ( 6796 PWs) bands (ev): -7.4092 -7.4092 -7.3682 -7.3682 -7.1625 -7.1625 -7.0335 -7.0335 -5.7356 -5.7356 -4.7037 -4.7037 -4.4655 -4.4655 -2.7899 -2.7899 -2.0295 -2.0295 -1.9503 -1.9503 -0.9449 -0.9449 0.4526 0.4526 3.5334 3.5334 3.6093 3.6093 3.8406 3.8406 3.8838 3.8838 4.1640 4.1640 4.2084 4.2084 4.3096 4.3096 4.3474 4.3474 4.4407 4.4407 4.5217 4.5217 4.9628 4.9628 5.0300 5.0300 5.3385 5.3385 5.5694 5.5694 5.8351 5.8351 5.8958 5.8958 6.1802 6.1802 6.3011 6.3011 6.3628 6.3628 6.5947 6.5947 6.6957 6.6957 6.9806 6.9806 7.1177 7.1177 7.2569 7.2569 7.3754 7.3754 7.4720 7.4720 7.6612 7.6612 7.7814 7.7814 k = 0.0192 0.0333 0.0873 ( 6808 PWs) bands (ev): -7.4179 -7.4179 -7.3769 -7.3769 -7.1710 -7.1710 -7.0419 -7.0419 -5.7437 -5.7437 -4.7098 -4.7098 -4.4711 -4.4711 -2.7905 -2.7905 -2.0251 -2.0251 -1.9457 -1.9457 -0.9296 -0.9296 0.4650 0.4650 3.5749 3.5749 3.6549 3.6549 3.9284 3.9284 3.9662 3.9662 4.1946 4.1946 4.2261 4.2261 4.3544 4.3544 4.3963 4.3963 4.4560 4.4560 4.5246 4.5246 4.8974 4.8974 4.9441 4.9441 5.3686 5.3686 5.6056 5.6056 5.8481 5.8481 5.9231 5.9231 6.2131 6.2131 6.2792 6.2792 6.3607 6.3607 6.6310 6.6310 6.6933 6.6933 6.9033 6.9033 7.0973 7.0973 7.2676 7.2676 7.3705 7.3705 7.4725 7.4725 7.5992 7.5992 7.7755 7.7755 k = 0.0128 0.0222 0.0873 ( 6808 PWs) bands (ev): -7.4241 -7.4241 -7.3831 -7.3831 -7.1771 -7.1771 -7.0479 -7.0479 -5.7496 -5.7496 -4.7142 -4.7142 -4.4752 -4.4752 -2.7909 -2.7909 -2.0220 -2.0220 -1.9425 -1.9425 -0.9188 -0.9188 0.4738 0.4738 3.6044 3.6044 3.6862 3.6862 3.9933 3.9933 4.0411 4.0411 4.2169 4.2169 4.2364 4.2364 4.4045 4.4045 4.4551 4.4551 4.4665 4.4665 4.5298 4.5298 4.8129 4.8129 4.8465 4.8465 5.4221 5.4221 5.6173 5.6173 5.8645 5.8645 5.9513 5.9513 6.1492 6.1492 6.2994 6.2994 6.4271 6.4271 6.6601 6.6601 6.6900 6.6900 6.8211 6.8211 7.0491 7.0491 7.3079 7.3079 7.3660 7.3660 7.4459 7.4459 7.5791 7.5791 7.7817 7.7817 k = 0.0064 0.0111 0.0873 ( 6824 PWs) bands (ev): -7.4279 -7.4279 -7.3868 -7.3868 -7.1808 -7.1808 -7.0516 -7.0516 -5.7531 -5.7531 -4.7168 -4.7168 -4.4776 -4.4776 -2.7912 -2.7912 -2.0202 -2.0202 -1.9406 -1.9406 -0.9122 -0.9122 0.4791 0.4791 3.6221 3.6221 3.7044 3.7044 4.0333 4.0333 4.0917 4.0917 4.2295 4.2295 4.2422 4.2422 4.4509 4.4509 4.4710 4.4710 4.5290 4.5290 4.5458 4.5458 4.7276 4.7276 4.7461 4.7461 5.4824 5.4824 5.6016 5.6016 5.8903 5.8903 5.9701 5.9701 6.0755 6.0755 6.3371 6.3371 6.4993 6.4993 6.6436 6.6436 6.7042 6.7042 6.7586 6.7586 7.0082 7.0082 7.3369 7.3369 7.3624 7.3624 7.4192 7.4192 7.5774 7.5774 7.7953 7.7953 k = 0.0000 0.0000 0.0873 ( 6824 PWs) bands (ev): -7.4291 -7.4291 -7.3881 -7.3881 -7.1820 -7.1820 -7.0528 -7.0528 -5.7542 -5.7542 -4.7177 -4.7177 -4.4784 -4.4784 -2.7913 -2.7913 -2.0196 -2.0196 -1.9400 -1.9400 -0.9100 -0.9100 0.4809 0.4809 3.6280 3.6280 3.7105 3.7105 4.0467 4.0467 4.1093 4.1093 4.2328 4.2328 4.2448 4.2448 4.4688 4.4688 4.4728 4.4728 4.5682 4.5682 4.5869 4.5869 4.6784 4.6784 4.6788 4.6788 5.5203 5.5203 5.5793 5.5793 5.9073 5.9073 5.9771 5.9771 6.0409 6.0409 6.3534 6.3534 6.5533 6.5533 6.6030 6.6030 6.7102 6.7102 6.7418 6.7418 6.9915 6.9915 7.3437 7.3437 7.3629 7.3629 7.4109 7.4109 7.5774 7.5774 7.8027 7.8027 k = 0.5000 0.2887 0.0873 ( 6936 PWs) bands (ev): -5.5227 -5.5227 -5.5224 -5.5224 -5.4469 -5.4469 -5.4138 -5.4138 -4.4684 -4.4684 -4.3618 -4.3618 -4.3115 -4.3115 -3.9346 -3.9346 -3.6210 -3.6210 -3.6066 -3.6066 -3.0145 -3.0145 -1.2603 -1.2603 1.0120 1.0120 1.0208 1.0208 1.7120 1.7120 1.9584 1.9584 2.4773 2.4773 2.5339 2.5339 2.8350 2.8350 2.8690 2.8690 2.9404 2.9404 3.0333 3.0333 3.1012 3.1012 3.5071 3.5071 3.6606 3.6606 4.3182 4.3182 4.4397 4.4397 4.7950 4.7950 4.9340 4.9340 5.4508 5.4508 5.8191 5.8191 5.8935 5.8935 6.2664 6.2664 6.8876 6.8876 7.2099 7.2099 7.6672 7.6672 7.8190 7.8190 8.0927 8.0927 8.7209 8.7209 8.7374 8.7374 k = 0.5000 0.2887 0.0748 ( 6924 PWs) bands (ev): -5.5229 -5.5229 -5.5221 -5.5221 -5.4469 -5.4469 -5.4138 -5.4138 -4.4677 -4.4677 -4.3651 -4.3651 -4.3086 -4.3086 -3.9348 -3.9348 -3.6238 -3.6238 -3.6037 -3.6037 -3.0146 -3.0146 -1.2603 -1.2603 0.9864 0.9864 1.0506 1.0506 1.6918 1.6918 1.9785 1.9785 2.4666 2.4666 2.5472 2.5472 2.8307 2.8307 2.8718 2.8718 2.9410 2.9410 3.0296 3.0296 3.0993 3.0993 3.4794 3.4794 3.6905 3.6905 4.3160 4.3160 4.4491 4.4491 4.7651 4.7651 4.9601 4.9601 5.4513 5.4513 5.8154 5.8154 5.8902 5.8902 6.2541 6.2541 6.8984 6.8984 7.2185 7.2185 7.6712 7.6712 7.8256 7.8256 8.0924 8.0924 8.6409 8.6409 8.8129 8.8129 k = 0.5000 0.2887 0.0623 ( 6918 PWs) bands (ev): -5.5233 -5.5233 -5.5217 -5.5217 -5.4470 -5.4470 -5.4138 -5.4138 -4.4656 -4.4656 -4.3732 -4.3732 -4.3019 -4.3019 -3.9357 -3.9357 -3.6291 -3.6291 -3.5982 -3.5982 -3.0148 -3.0148 -1.2602 -1.2602 0.9612 0.9612 1.0885 1.0885 1.6441 1.6441 2.0254 2.0254 2.4472 2.4472 2.5740 2.5740 2.8216 2.8216 2.8740 2.8740 2.9444 2.9444 3.0175 3.0175 3.0964 3.0964 3.4244 3.4244 3.7524 3.7524 4.3094 4.3094 4.4729 4.4729 4.7109 4.7109 5.0034 5.0034 5.4545 5.4545 5.8045 5.8045 5.8822 5.8822 6.2204 6.2204 6.9279 6.9279 7.2404 7.2404 7.6857 7.6857 7.8450 7.8450 8.0914 8.0914 8.5523 8.5523 8.8558 8.8558 k = 0.5000 0.2887 0.0499 ( 6906 PWs) bands (ev): -5.5236 -5.5236 -5.5214 -5.5214 -5.4470 -5.4470 -5.4137 -5.4137 -4.4623 -4.4623 -4.3833 -4.3833 -4.2941 -4.2941 -3.9369 -3.9369 -3.6343 -3.6343 -3.5926 -3.5926 -3.0150 -3.0150 -1.2602 -1.2602 0.9404 0.9404 1.1303 1.1303 1.5855 1.5855 2.0812 2.0812 2.4286 2.4286 2.6045 2.6045 2.8117 2.8117 2.8693 2.8693 2.9490 2.9490 3.0018 3.0018 3.0965 3.0965 3.3638 3.3638 3.8242 3.8242 4.2977 4.2977 4.4949 4.4949 4.6704 4.6704 5.0339 5.0339 5.4650 5.4650 5.7864 5.7864 5.8748 5.8748 6.1720 6.1720 6.9697 6.9697 7.2653 7.2653 7.7172 7.7172 7.8764 7.8764 8.0900 8.0900 8.4644 8.4644 8.7175 8.7175 k = 0.5000 0.2887 0.0374 ( 6904 PWs) bands (ev): -5.5239 -5.5239 -5.5211 -5.5211 -5.4471 -5.4471 -5.4137 -5.4137 -4.4579 -4.4579 -4.3938 -4.3938 -4.2868 -4.2868 -3.9382 -3.9382 -3.6388 -3.6388 -3.5877 -3.5877 -3.0153 -3.0153 -1.2602 -1.2602 0.9242 0.9242 1.1758 1.1758 1.5238 1.5238 2.1359 2.1359 2.4131 2.4131 2.6352 2.6352 2.8018 2.8018 2.8585 2.8585 2.9364 2.9364 3.0052 3.0052 3.0993 3.0993 3.3039 3.3039 3.9000 3.9000 4.2780 4.2780 4.4873 4.4873 4.6768 4.6768 5.0387 5.0387 5.4885 5.4885 5.7605 5.7605 5.8743 5.8743 6.1164 6.1164 7.0169 7.0169 7.2813 7.2813 7.7731 7.7731 7.9184 7.9184 8.0882 8.0882 8.3791 8.3791 8.5609 8.5609 k = 0.5000 0.2887 0.0249 ( 6896 PWs) bands (ev): -5.5241 -5.5241 -5.5208 -5.5208 -5.4472 -5.4472 -5.4136 -5.4136 -4.4528 -4.4528 -4.4035 -4.4035 -4.2811 -4.2811 -3.9395 -3.9395 -3.6422 -3.6422 -3.5839 -3.5839 -3.0155 -3.0155 -1.2601 -1.2601 0.9125 0.9125 1.2242 1.2242 1.4626 1.4626 2.1827 2.1827 2.4014 2.4014 2.6635 2.6635 2.7920 2.7920 2.8456 2.8456 2.9103 2.9103 3.0285 3.0285 3.1036 3.1036 3.2478 3.2478 3.9772 3.9772 4.2450 4.2450 4.4583 4.4583 4.7244 4.7244 5.0162 5.0162 5.5257 5.5257 5.7267 5.7267 5.8846 5.8846 6.0602 6.0602 7.0629 7.0629 7.2829 7.2829 7.8551 7.8551 7.9684 7.9684 8.0863 8.0863 8.2987 8.2987 8.4080 8.4080 k = 0.5000 0.2887 0.0125 ( 6912 PWs) bands (ev): -5.5242 -5.5242 -5.5207 -5.5207 -5.4473 -5.4473 -5.4136 -5.4136 -4.4481 -4.4481 -4.4112 -4.4112 -4.2774 -4.2774 -3.9403 -3.9403 -3.6444 -3.6444 -3.5815 -3.5815 -3.0157 -3.0157 -1.2601 -1.2601 0.9055 0.9055 1.2736 1.2736 1.4051 1.4051 2.2149 2.2149 2.3941 2.3941 2.6855 2.6855 2.7830 2.7830 2.8350 2.8350 2.8891 2.8891 3.0551 3.0551 3.1095 3.1095 3.1999 3.1999 4.0529 4.0529 4.1955 4.1955 4.4356 4.4356 4.7816 4.7816 4.9771 4.9771 5.5700 5.5700 5.6877 5.6877 5.9047 5.9047 6.0103 6.0103 7.0994 7.0994 7.2747 7.2747 7.9550 7.9550 8.0207 8.0207 8.0852 8.0852 8.2238 8.2238 8.2718 8.2718 k = 0.5000 0.2887-0.0000 ( 6910 PWs) bands (ev): -5.5243 -5.5243 -5.5206 -5.5206 -5.4473 -5.4473 -5.4136 -5.4136 -4.4459 -4.4459 -4.4144 -4.4144 -4.2761 -4.2761 -3.9406 -3.9406 -3.6451 -3.6451 -3.5807 -3.5807 -3.0157 -3.0157 -1.2601 -1.2601 0.9031 0.9031 1.3065 1.3065 1.3695 1.3695 2.2265 2.2265 2.3916 2.3916 2.6945 2.6945 2.7788 2.7788 2.8308 2.8308 2.8813 2.8813 3.0679 3.0679 3.1156 3.1156 3.1760 3.1760 4.1102 4.1102 4.1466 4.1466 4.4278 4.4278 4.8128 4.8128 4.9521 4.9521 5.5990 5.5990 5.6610 5.6610 5.9205 5.9205 5.9843 5.9843 7.1143 7.1143 7.2690 7.2690 8.0318 8.0318 8.0348 8.0348 8.1148 8.1148 8.1380 8.1380 8.2176 8.2176 k = 0.3333 0.5774-0.0000 ( 6903 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5396 -4.5396 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0163 1.0163 1.0724 1.0724 1.2181 1.2181 1.6105 1.6105 2.0273 2.0273 2.0353 2.0353 2.1850 2.1850 2.1883 2.1883 2.2533 2.2533 2.9743 2.9743 3.0720 3.0720 3.1987 3.1987 3.5269 3.5269 3.6763 3.6763 3.6966 3.6966 5.1100 5.1100 5.4072 5.4072 5.4381 5.4381 5.5912 5.5912 5.6854 5.6854 6.1580 6.1580 8.0190 8.0190 8.0732 8.0732 8.0906 8.0906 8.3836 8.3836 8.4222 8.4222 8.4455 8.4455 9.6879 9.6879 k = 0.3333 0.5774 0.0125 ( 6909 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5396 -4.5396 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0165 1.0165 1.0725 1.0725 1.2182 1.2182 1.6089 1.6089 2.0213 2.0213 2.0297 2.0297 2.1935 2.1935 2.1960 2.1960 2.2581 2.2581 2.9653 2.9653 3.0645 3.0645 3.1861 3.1861 3.5404 3.5404 3.6843 3.6843 3.7043 3.7043 5.1011 5.1011 5.3839 5.3839 5.4027 5.4027 5.6270 5.6270 5.7092 5.7092 6.1685 6.1685 7.9907 7.9907 8.0360 8.0360 8.0530 8.0530 8.4271 8.4271 8.4542 8.4542 8.4898 8.4898 9.6707 9.6707 k = 0.3333 0.5774 0.0249 ( 6894 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5396 -4.5396 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0172 1.0172 1.0727 1.0727 1.2186 1.2186 1.6046 1.6046 2.0066 2.0066 2.0163 2.0163 2.2151 2.2151 2.2157 2.2157 2.2719 2.2719 2.9407 2.9407 3.0440 3.0440 3.1545 3.1545 3.5746 3.5746 3.7062 3.7062 3.7251 3.7251 5.0768 5.0768 5.3311 5.3311 5.3373 5.3373 5.6935 5.6935 5.7634 5.7634 6.1977 6.1977 7.9260 7.9260 7.9549 7.9549 7.9761 7.9761 8.5222 8.5222 8.5350 8.5350 8.5881 8.5881 9.6225 9.6225 k = 0.3333 0.5774 0.0374 ( 6888 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5396 -4.5396 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0182 1.0182 1.0730 1.0730 1.2192 1.2192 1.5986 1.5986 1.9894 1.9894 2.0004 2.0004 2.2410 2.2410 2.2429 2.2429 2.2929 2.2929 2.9056 2.9056 3.0153 3.0153 3.1148 3.1148 3.6180 3.6180 3.7366 3.7366 3.7542 3.7542 5.0426 5.0426 5.2708 5.2708 5.2711 5.2711 5.7617 5.7617 5.8256 5.8256 6.2395 6.2395 7.8510 7.8510 7.8655 7.8655 7.8946 7.8946 8.6351 8.6351 8.6385 8.6385 8.7071 8.7071 9.5497 9.5497 k = 0.3333 0.5774 0.0499 ( 6894 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5396 -4.5396 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0193 1.0193 1.0734 1.0734 1.2198 1.2198 1.5920 1.5920 1.9736 1.9736 1.9858 1.9858 2.2665 2.2665 2.2713 2.2713 2.3180 2.3180 2.8665 2.8665 2.9841 2.9841 3.0756 3.0756 3.6613 3.6613 3.7691 3.7691 3.7854 3.7854 5.0056 5.0056 5.2118 5.2118 5.2154 5.2154 5.8224 5.8224 5.8838 5.8838 6.2859 6.2859 7.7749 7.7749 7.7898 7.7898 7.8219 7.8219 8.7512 8.7512 8.7543 8.7543 8.8336 8.8336 9.4602 9.4602 k = 0.3333 0.5774 0.0623 ( 6894 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5396 -4.5396 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0204 1.0204 1.0736 1.0736 1.2204 1.2204 1.5863 1.5863 1.9612 1.9612 1.9743 1.9743 2.2884 2.2884 2.2959 2.2959 2.3428 2.3428 2.8305 2.8305 2.9564 2.9564 3.0428 3.0428 3.6977 3.6977 3.7977 3.7977 3.8128 3.8128 4.9729 4.9729 5.1654 5.1654 5.1709 5.1709 5.8703 5.8703 5.9306 5.9306 6.3280 6.3280 7.7079 7.7079 7.7347 7.7347 7.7649 7.7649 8.8655 8.8655 8.8747 8.8747 8.9617 8.9617 9.3600 9.3600 k = 0.3333 0.5774 0.0748 ( 6885 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5395 -4.5395 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0211 1.0211 1.0739 1.0739 1.2208 1.2208 1.5823 1.5823 1.9534 1.9534 1.9671 1.9671 2.3032 2.3032 2.3128 2.3128 2.3616 2.3616 2.8044 2.8044 2.9371 2.9371 3.0211 3.0211 3.7218 3.7218 3.8172 3.8172 3.8315 3.8315 4.9505 4.9505 5.1356 5.1356 5.1420 5.1420 5.9010 5.9010 5.9611 5.9611 6.3577 6.3577 7.6634 7.6634 7.6998 7.6998 7.7285 7.7285 8.9722 8.9722 8.9908 8.9908 9.0845 9.0845 9.2556 9.2556 k = 0.3333 0.5774 0.0873 ( 6906 PWs) bands (ev): -4.7973 -4.7973 -4.7894 -4.7894 -4.7038 -4.7038 -4.6957 -4.6957 -4.6218 -4.6218 -4.5958 -4.5958 -4.5395 -4.5395 -4.5137 -4.5137 -3.8566 -3.8566 -3.8553 -3.8553 -3.5503 -3.5503 -1.5695 -1.5695 1.0213 1.0213 1.0739 1.0739 1.2209 1.2209 1.5810 1.5810 1.9507 1.9507 1.9646 1.9646 2.3085 2.3085 2.3188 2.3188 2.3687 2.3687 2.7948 2.7948 2.9302 2.9302 3.0134 3.0134 3.7303 3.7303 3.8241 3.8241 3.8381 3.8381 4.9425 4.9425 5.1253 5.1253 5.1321 5.1321 5.9116 5.9116 5.9716 5.9716 6.3684 6.3684 7.6478 7.6478 7.6878 7.6878 7.7160 7.7160 9.0316 9.0316 9.0663 9.0663 9.1588 9.1588 9.1840 9.1840 Writing output data file GeTe7As4.save init_run : 0.27s CPU 0.39s WALL ( 1 calls) electrons : 392.01s CPU 396.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 392.01s CPU 396.44s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.14s WALL ( 276 calls) cegterg : 366.72s CPU 370.15s WALL ( 539 calls) Called by sum_band: Called by *egterg: h_psi : 189.90s CPU 192.12s WALL ( 8747 calls) s_psi : 22.45s CPU 22.50s WALL ( 8747 calls) g_psi : 0.63s CPU 0.61s WALL ( 7932 calls) cdiaghg : 115.51s CPU 116.80s WALL ( 8208 calls) cegterg:over : 20.88s CPU 20.90s WALL ( 7932 calls) cegterg:upda : 18.70s CPU 18.65s WALL ( 7932 calls) cegterg:last : 10.17s CPU 10.20s WALL ( 1372 calls) cdiaghg:chol : 6.93s CPU 6.91s WALL ( 8208 calls) cdiaghg:inve : 4.96s CPU 5.01s WALL ( 8208 calls) cdiaghg:para : 8.66s CPU 8.68s WALL ( 16416 calls) Called by h_psi: h_psi:vloc : 140.31s CPU 142.22s WALL ( 8747 calls) h_psi:vnl : 49.02s CPU 49.24s WALL ( 8747 calls) add_vuspsi : 26.42s CPU 26.28s WALL ( 8747 calls) General routines calbec : 22.55s CPU 22.94s WALL ( 8747 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 132.72s CPU 134.70s WALL ( 1289116 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.51s WALL ( 552 calls) Parallel routines fft_scatter : 44.16s CPU 45.11s WALL ( 1289139 calls) PWSCF : 6m59.28s CPU 7m20.97s WALL This run was terminated on: 19:43:40 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=