Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:41:41 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./CdClO.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 58 17 5 6092 959 153 Max 59 18 6 6101 977 163 Sum 2107 613 187 219463 34825 5717 bravais-lattice index = 14 lattice parameter (alat) = 6.9164 a.u. unit-cell volume = 804.0069 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.916397 celldm(2)= 1.000000 celldm(3)= 2.806011 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 2.806011 ) 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 0.356378 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4030055 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4030055 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4030055 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4030055 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4030055 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4030055 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 G_8 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 G_9 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 3 4 60 deg rotation - cryst. axis [0,0,1] -2C6 -3 -4 60 deg rotation - cryst. axis [0,0,1] E 2C3 5 6 120 deg rotation - cryst. axis [0,0,1] -2C3 -5 -6 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 7 -7 9 10 -10 -9 inv. 180 deg rotation - cart. axis [0,1,0] 3s_d-3s_d 8 -8 12 -11 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0030211 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0030211 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0030211 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0030211 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0030211 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0030211 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0030211 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0030211 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0030211 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0030211 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0030211 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0030211 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0030211 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0030211 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0030211 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0030211 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0030211 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0030211 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0030211 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0030211 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0030211 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0030211 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0030211 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0030211 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0030211 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0030211 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0030211 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0030211 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0030211 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0030211 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0030211 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0030211 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0030211 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0030211 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0030211 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0030211 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0030211 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0030211 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0030211 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0030211 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0030211 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0030211 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0030211 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0030211 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0030211 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0030211 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0030211 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0030211 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0030211 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0030211 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0030211 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0030211 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0030211 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0030211 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0030211 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0030211 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0030211 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0030211 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0030211 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0030211 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0030211 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0030211 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0030211 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0030211 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0030211 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0030211 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0030211 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0030211 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0030211 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0030211 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0030211 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0030211 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0030211 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0030211 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0030211 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0030211 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0030211 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0030211 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0030211 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0030211 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0030211 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0030211 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0030211 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0030211 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0030211 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0030211 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0030211 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0030211 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0030211 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0030211 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0030211 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0030211 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0030211 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0030211 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0030211 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0030211 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0030211 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0030211 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0030211 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0030211 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0030211 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0030211 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0030211 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0030211 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0030211 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030211 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0030211 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0030211 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0030211 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0030211 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0030211 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0030211 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0030211 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0030211 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0030211 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0030211 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0030211 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0030211 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0030211 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0030211 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0030211 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0030211 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0030211 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0030211 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0030211 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0030211 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0030211 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0030211 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0030211 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0030211 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0030211 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0030211 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0030211 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0030211 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 142) = ( 0.0000000 0.0000000 0.0111368), wk = 0.0030211 k( 143) = ( 0.0000000 0.0000000 0.0222736), wk = 0.0030211 k( 144) = ( 0.0000000 0.0000000 0.0334104), wk = 0.0030211 k( 145) = ( 0.0000000 0.0000000 0.0445472), wk = 0.0030211 k( 146) = ( 0.0000000 0.0000000 0.0556840), wk = 0.0030211 k( 147) = ( 0.0000000 0.0000000 0.0668208), wk = 0.0030211 k( 148) = ( 0.0000000 0.0000000 0.0779576), wk = 0.0030211 k( 149) = ( 0.0000000 0.0000000 0.0890944), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.1002313), wk = 0.0030211 k( 151) = ( 0.0000000 0.0000000 0.1113681), wk = 0.0030211 k( 152) = ( 0.0000000 0.0000000 0.1225049), wk = 0.0030211 k( 153) = ( 0.0000000 0.0000000 0.1336417), wk = 0.0030211 k( 154) = ( 0.0000000 0.0000000 0.1447785), wk = 0.0030211 k( 155) = ( 0.0000000 0.0000000 0.1559153), wk = 0.0030211 k( 156) = ( 0.0000000 0.0000000 0.1670521), wk = 0.0030211 k( 157) = ( 0.0000000 0.0000000 0.1781889), wk = 0.0030211 k( 158) = ( 0.0000000 0.0000000 0.1781889), wk = 0.0030211 k( 159) = ( 0.0100000 0.0057735 0.1781889), wk = 0.0030211 k( 160) = ( 0.0200000 0.0115470 0.1781889), wk = 0.0030211 k( 161) = ( 0.0300000 0.0173205 0.1781889), wk = 0.0030211 k( 162) = ( 0.0400000 0.0230940 0.1781889), wk = 0.0030211 k( 163) = ( 0.0500000 0.0288675 0.1781889), wk = 0.0030211 k( 164) = ( 0.0600000 0.0346410 0.1781889), wk = 0.0030211 k( 165) = ( 0.0700000 0.0404145 0.1781889), wk = 0.0030211 k( 166) = ( 0.0800000 0.0461880 0.1781889), wk = 0.0030211 k( 167) = ( 0.0900000 0.0519615 0.1781889), wk = 0.0030211 k( 168) = ( 0.1000000 0.0577350 0.1781889), wk = 0.0030211 k( 169) = ( 0.1100000 0.0635085 0.1781889), wk = 0.0030211 k( 170) = ( 0.1200000 0.0692820 0.1781889), wk = 0.0030211 k( 171) = ( 0.1300000 0.0750555 0.1781889), wk = 0.0030211 k( 172) = ( 0.1400000 0.0808290 0.1781889), wk = 0.0030211 k( 173) = ( 0.1500000 0.0866025 0.1781889), wk = 0.0030211 k( 174) = ( 0.1600000 0.0923760 0.1781889), wk = 0.0030211 k( 175) = ( 0.1700000 0.0981495 0.1781889), wk = 0.0030211 k( 176) = ( 0.1800000 0.1039230 0.1781889), wk = 0.0030211 k( 177) = ( 0.1900000 0.1096966 0.1781889), wk = 0.0030211 k( 178) = ( 0.2000000 0.1154701 0.1781889), wk = 0.0030211 k( 179) = ( 0.2100000 0.1212436 0.1781889), wk = 0.0030211 k( 180) = ( 0.2200000 0.1270171 0.1781889), wk = 0.0030211 k( 181) = ( 0.2300000 0.1327906 0.1781889), wk = 0.0030211 k( 182) = ( 0.2400000 0.1385641 0.1781889), wk = 0.0030211 k( 183) = ( 0.2500000 0.1443376 0.1781889), wk = 0.0030211 k( 184) = ( 0.2600000 0.1501111 0.1781889), wk = 0.0030211 k( 185) = ( 0.2700000 0.1558846 0.1781889), wk = 0.0030211 k( 186) = ( 0.2800000 0.1616581 0.1781889), wk = 0.0030211 k( 187) = ( 0.2900000 0.1674316 0.1781889), wk = 0.0030211 k( 188) = ( 0.3000000 0.1732051 0.1781889), wk = 0.0030211 k( 189) = ( 0.3100000 0.1789786 0.1781889), wk = 0.0030211 k( 190) = ( 0.3200000 0.1847521 0.1781889), wk = 0.0030211 k( 191) = ( 0.3300000 0.1905256 0.1781889), wk = 0.0030211 k( 192) = ( 0.3400000 0.1962991 0.1781889), wk = 0.0030211 k( 193) = ( 0.3500000 0.2020726 0.1781889), wk = 0.0030211 k( 194) = ( 0.3600000 0.2078461 0.1781889), wk = 0.0030211 k( 195) = ( 0.3700000 0.2136196 0.1781889), wk = 0.0030211 k( 196) = ( 0.3800000 0.2193931 0.1781889), wk = 0.0030211 k( 197) = ( 0.3900000 0.2251666 0.1781889), wk = 0.0030211 k( 198) = ( 0.4000000 0.2309401 0.1781889), wk = 0.0030211 k( 199) = ( 0.4100000 0.2367136 0.1781889), wk = 0.0030211 k( 200) = ( 0.4200000 0.2424871 0.1781889), wk = 0.0030211 k( 201) = ( 0.4300000 0.2482606 0.1781889), wk = 0.0030211 k( 202) = ( 0.4400000 0.2540341 0.1781889), wk = 0.0030211 k( 203) = ( 0.4500000 0.2598076 0.1781889), wk = 0.0030211 k( 204) = ( 0.4600000 0.2655811 0.1781889), wk = 0.0030211 k( 205) = ( 0.4700000 0.2713546 0.1781889), wk = 0.0030211 k( 206) = ( 0.4800000 0.2771281 0.1781889), wk = 0.0030211 k( 207) = ( 0.4900000 0.2829016 0.1781889), wk = 0.0030211 k( 208) = ( 0.5000000 0.2886751 0.1781889), wk = 0.0030211 k( 209) = ( 0.5000000 0.2886751 0.1781889), wk = 0.0030211 k( 210) = ( 0.4942529 0.2986294 0.1781889), wk = 0.0030211 k( 211) = ( 0.4885058 0.3085838 0.1781889), wk = 0.0030211 k( 212) = ( 0.4827586 0.3185381 0.1781889), wk = 0.0030211 k( 213) = ( 0.4770115 0.3284924 0.1781889), wk = 0.0030211 k( 214) = ( 0.4712644 0.3384467 0.1781889), wk = 0.0030211 k( 215) = ( 0.4655172 0.3484010 0.1781889), wk = 0.0030211 k( 216) = ( 0.4597701 0.3583553 0.1781889), wk = 0.0030211 k( 217) = ( 0.4540230 0.3683097 0.1781889), wk = 0.0030211 k( 218) = ( 0.4482759 0.3782640 0.1781889), wk = 0.0030211 k( 219) = ( 0.4425287 0.3882183 0.1781889), wk = 0.0030211 k( 220) = ( 0.4367816 0.3981726 0.1781889), wk = 0.0030211 k( 221) = ( 0.4310345 0.4081269 0.1781889), wk = 0.0030211 k( 222) = ( 0.4252874 0.4180812 0.1781889), wk = 0.0030211 k( 223) = ( 0.4195402 0.4280355 0.1781889), wk = 0.0030211 k( 224) = ( 0.4137931 0.4379899 0.1781889), wk = 0.0030211 k( 225) = ( 0.4080460 0.4479442 0.1781889), wk = 0.0030211 k( 226) = ( 0.4022988 0.4578985 0.1781889), wk = 0.0030211 k( 227) = ( 0.3965517 0.4678528 0.1781889), wk = 0.0030211 k( 228) = ( 0.3908046 0.4778071 0.1781889), wk = 0.0030211 k( 229) = ( 0.3850575 0.4877614 0.1781889), wk = 0.0030211 k( 230) = ( 0.3793103 0.4977157 0.1781889), wk = 0.0030211 k( 231) = ( 0.3735632 0.5076701 0.1781889), wk = 0.0030211 k( 232) = ( 0.3678161 0.5176244 0.1781889), wk = 0.0030211 k( 233) = ( 0.3620690 0.5275787 0.1781889), wk = 0.0030211 k( 234) = ( 0.3563218 0.5375330 0.1781889), wk = 0.0030211 k( 235) = ( 0.3505747 0.5474873 0.1781889), wk = 0.0030211 k( 236) = ( 0.3448276 0.5574416 0.1781889), wk = 0.0030211 k( 237) = ( 0.3390805 0.5673960 0.1781889), wk = 0.0030211 k( 238) = ( 0.3333333 0.5773503 0.1781889), wk = 0.0030211 k( 239) = ( 0.3333333 0.5773503 0.1781889), wk = 0.0030211 k( 240) = ( 0.3275862 0.5673960 0.1781889), wk = 0.0030211 k( 241) = ( 0.3218391 0.5574416 0.1781889), wk = 0.0030211 k( 242) = ( 0.3160920 0.5474873 0.1781889), wk = 0.0030211 k( 243) = ( 0.3103448 0.5375330 0.1781889), wk = 0.0030211 k( 244) = ( 0.3045977 0.5275787 0.1781889), wk = 0.0030211 k( 245) = ( 0.2988506 0.5176244 0.1781889), wk = 0.0030211 k( 246) = ( 0.2931034 0.5076701 0.1781889), wk = 0.0030211 k( 247) = ( 0.2873563 0.4977157 0.1781889), wk = 0.0030211 k( 248) = ( 0.2816092 0.4877614 0.1781889), wk = 0.0030211 k( 249) = ( 0.2758621 0.4778071 0.1781889), wk = 0.0030211 k( 250) = ( 0.2701149 0.4678528 0.1781889), wk = 0.0030211 k( 251) = ( 0.2643678 0.4578985 0.1781889), wk = 0.0030211 k( 252) = ( 0.2586207 0.4479442 0.1781889), wk = 0.0030211 k( 253) = ( 0.2528736 0.4379899 0.1781889), wk = 0.0030211 k( 254) = ( 0.2471264 0.4280355 0.1781889), wk = 0.0030211 k( 255) = ( 0.2413793 0.4180812 0.1781889), wk = 0.0030211 k( 256) = ( 0.2356322 0.4081269 0.1781889), wk = 0.0030211 k( 257) = ( 0.2298851 0.3981726 0.1781889), wk = 0.0030211 k( 258) = ( 0.2241379 0.3882183 0.1781889), wk = 0.0030211 k( 259) = ( 0.2183908 0.3782640 0.1781889), wk = 0.0030211 k( 260) = ( 0.2126437 0.3683097 0.1781889), wk = 0.0030211 k( 261) = ( 0.2068966 0.3583553 0.1781889), wk = 0.0030211 k( 262) = ( 0.2011494 0.3484010 0.1781889), wk = 0.0030211 k( 263) = ( 0.1954023 0.3384467 0.1781889), wk = 0.0030211 k( 264) = ( 0.1896552 0.3284924 0.1781889), wk = 0.0030211 k( 265) = ( 0.1839080 0.3185381 0.1781889), wk = 0.0030211 k( 266) = ( 0.1781609 0.3085838 0.1781889), wk = 0.0030211 k( 267) = ( 0.1724138 0.2986294 0.1781889), wk = 0.0030211 k( 268) = ( 0.1666667 0.2886751 0.1781889), wk = 0.0030211 k( 269) = ( 0.1609195 0.2787208 0.1781889), wk = 0.0030211 k( 270) = ( 0.1551724 0.2687665 0.1781889), wk = 0.0030211 k( 271) = ( 0.1494253 0.2588122 0.1781889), wk = 0.0030211 k( 272) = ( 0.1436782 0.2488579 0.1781889), wk = 0.0030211 k( 273) = ( 0.1379310 0.2389036 0.1781889), wk = 0.0030211 k( 274) = ( 0.1321839 0.2289492 0.1781889), wk = 0.0030211 k( 275) = ( 0.1264368 0.2189949 0.1781889), wk = 0.0030211 k( 276) = ( 0.1206897 0.2090406 0.1781889), wk = 0.0030211 k( 277) = ( 0.1149425 0.1990863 0.1781889), wk = 0.0030211 k( 278) = ( 0.1091954 0.1891320 0.1781889), wk = 0.0030211 k( 279) = ( 0.1034483 0.1791777 0.1781889), wk = 0.0030211 k( 280) = ( 0.0977012 0.1692234 0.1781889), wk = 0.0030211 k( 281) = ( 0.0919540 0.1592690 0.1781889), wk = 0.0030211 k( 282) = ( 0.0862069 0.1493147 0.1781889), wk = 0.0030211 k( 283) = ( 0.0804598 0.1393604 0.1781889), wk = 0.0030211 k( 284) = ( 0.0747126 0.1294061 0.1781889), wk = 0.0030211 k( 285) = ( 0.0689655 0.1194518 0.1781889), wk = 0.0030211 k( 286) = ( 0.0632184 0.1094975 0.1781889), wk = 0.0030211 k( 287) = ( 0.0574713 0.0995431 0.1781889), wk = 0.0030211 k( 288) = ( 0.0517241 0.0895888 0.1781889), wk = 0.0030211 k( 289) = ( 0.0459770 0.0796345 0.1781889), wk = 0.0030211 k( 290) = ( 0.0402299 0.0696802 0.1781889), wk = 0.0030211 k( 291) = ( 0.0344828 0.0597259 0.1781889), wk = 0.0030211 k( 292) = ( 0.0287356 0.0497716 0.1781889), wk = 0.0030211 k( 293) = ( 0.0229885 0.0398173 0.1781889), wk = 0.0030211 k( 294) = ( 0.0172414 0.0298629 0.1781889), wk = 0.0030211 k( 295) = ( 0.0114942 0.0199086 0.1781889), wk = 0.0030211 k( 296) = ( 0.0057471 0.0099543 0.1781889), wk = 0.0030211 k( 297) = ( 0.0000000 0.0000000 0.1781889), wk = 0.0030211 k( 298) = ( 0.5000000 0.2886751 0.1781889), wk = 0.0030211 k( 299) = ( 0.5000000 0.2886751 0.1670521), wk = 0.0030211 k( 300) = ( 0.5000000 0.2886751 0.1559153), wk = 0.0030211 k( 301) = ( 0.5000000 0.2886751 0.1447785), wk = 0.0030211 k( 302) = ( 0.5000000 0.2886751 0.1336417), wk = 0.0030211 k( 303) = ( 0.5000000 0.2886751 0.1225049), wk = 0.0030211 k( 304) = ( 0.5000000 0.2886751 0.1113681), wk = 0.0030211 k( 305) = ( 0.5000000 0.2886751 0.1002313), wk = 0.0030211 k( 306) = ( 0.5000000 0.2886751 0.0890944), wk = 0.0030211 k( 307) = ( 0.5000000 0.2886751 0.0779576), wk = 0.0030211 k( 308) = ( 0.5000000 0.2886751 0.0668208), wk = 0.0030211 k( 309) = ( 0.5000000 0.2886751 0.0556840), wk = 0.0030211 k( 310) = ( 0.5000000 0.2886751 0.0445472), wk = 0.0030211 k( 311) = ( 0.5000000 0.2886751 0.0334104), wk = 0.0030211 k( 312) = ( 0.5000000 0.2886751 0.0222736), wk = 0.0030211 k( 313) = ( 0.5000000 0.2886751 0.0111368), wk = 0.0030211 k( 314) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 315) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 316) = ( 0.3333333 0.5773503 0.0111368), wk = 0.0030211 k( 317) = ( 0.3333333 0.5773503 0.0222736), wk = 0.0030211 k( 318) = ( 0.3333333 0.5773503 0.0334104), wk = 0.0030211 k( 319) = ( 0.3333333 0.5773503 0.0445472), wk = 0.0030211 k( 320) = ( 0.3333333 0.5773503 0.0556840), wk = 0.0030211 k( 321) = ( 0.3333333 0.5773503 0.0668208), wk = 0.0030211 k( 322) = ( 0.3333333 0.5773503 0.0779576), wk = 0.0030211 k( 323) = ( 0.3333333 0.5773503 0.0890944), wk = 0.0030211 k( 324) = ( 0.3333333 0.5773503 0.1002313), wk = 0.0030211 k( 325) = ( 0.3333333 0.5773503 0.1113681), wk = 0.0030211 k( 326) = ( 0.3333333 0.5773503 0.1225049), wk = 0.0030211 k( 327) = ( 0.3333333 0.5773503 0.1336417), wk = 0.0030211 k( 328) = ( 0.3333333 0.5773503 0.1447785), wk = 0.0030211 k( 329) = ( 0.3333333 0.5773503 0.1559153), wk = 0.0030211 k( 330) = ( 0.3333333 0.5773503 0.1670521), wk = 0.0030211 k( 331) = ( 0.3333333 0.5773503 0.1781889), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0100000 -0.0000000 0.0000000), wk = 0.0030211 k( 3) = ( 0.0200000 -0.0000000 0.0000000), wk = 0.0030211 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0030211 k( 5) = ( 0.0400000 -0.0000000 0.0000000), wk = 0.0030211 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0030211 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0030211 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0030211 k( 9) = ( 0.0800000 -0.0000000 0.0000000), wk = 0.0030211 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0030211 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0030211 k( 12) = ( 0.1100000 -0.0000000 0.0000000), wk = 0.0030211 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0030211 k( 14) = ( 0.1300000 -0.0000000 0.0000000), wk = 0.0030211 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0030211 k( 16) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0030211 k( 17) = ( 0.1600000 -0.0000000 0.0000000), wk = 0.0030211 k( 18) = ( 0.1700000 -0.0000000 0.0000000), wk = 0.0030211 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0030211 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0030211 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0030211 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0030211 k( 23) = ( 0.2200000 -0.0000000 0.0000000), wk = 0.0030211 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0030211 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0030211 k( 26) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0030211 k( 27) = ( 0.2600000 -0.0000000 0.0000000), wk = 0.0030211 k( 28) = ( 0.2700000 -0.0000000 0.0000000), wk = 0.0030211 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0030211 k( 30) = ( 0.2900000 -0.0000000 0.0000000), wk = 0.0030211 k( 31) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0030211 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0030211 k( 33) = ( 0.3200000 -0.0000000 0.0000000), wk = 0.0030211 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0030211 k( 35) = ( 0.3400000 -0.0000000 0.0000000), wk = 0.0030211 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0030211 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0030211 k( 38) = ( 0.3700000 -0.0000000 0.0000000), wk = 0.0030211 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0030211 k( 40) = ( 0.3900000 -0.0000000 0.0000000), wk = 0.0030211 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0030211 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0030211 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0030211 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0030211 k( 45) = ( 0.4400000 -0.0000000 0.0000000), wk = 0.0030211 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0030211 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0030211 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0030211 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0030211 k( 50) = ( 0.4900000 0.0000000 0.0000000), wk = 0.0030211 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030211 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030211 k( 53) = ( 0.4942529 0.0114942 -0.0000000), wk = 0.0030211 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0030211 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0030211 k( 56) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0030211 k( 57) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0030211 k( 58) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0030211 k( 59) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0030211 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0030211 k( 61) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0030211 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0030211 k( 63) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0030211 k( 64) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0030211 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0030211 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0030211 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0030211 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0030211 k( 69) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0030211 k( 70) = ( 0.3965517 0.2068965 0.0000000), wk = 0.0030211 k( 71) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0030211 k( 72) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0030211 k( 73) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0030211 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0030211 k( 75) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0030211 k( 76) = ( 0.3620690 0.2758621 -0.0000000), wk = 0.0030211 k( 77) = ( 0.3563218 0.2873563 -0.0000000), wk = 0.0030211 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0030211 k( 79) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0030211 k( 80) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0030211 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030211 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030211 k( 83) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0030211 k( 84) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0030211 k( 85) = ( 0.3160920 0.3160919 -0.0000000), wk = 0.0030211 k( 86) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0030211 k( 87) = ( 0.3045977 0.3045977 -0.0000000), wk = 0.0030211 k( 88) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0030211 k( 89) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0030211 k( 90) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0030211 k( 91) = ( 0.2816092 0.2816092 -0.0000000), wk = 0.0030211 k( 92) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0030211 k( 93) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0030211 k( 94) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0030211 k( 95) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0030211 k( 96) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0030211 k( 97) = ( 0.2471264 0.2471264 -0.0000000), wk = 0.0030211 k( 98) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0030211 k( 99) = ( 0.2356322 0.2356322 0.0000000), wk = 0.0030211 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0030211 k( 101) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0030211 k( 102) = ( 0.2183908 0.2183908 -0.0000000), wk = 0.0030211 k( 103) = ( 0.2126437 0.2126437 -0.0000000), wk = 0.0030211 k( 104) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0030211 k( 105) = ( 0.2011494 0.2011494 0.0000000), wk = 0.0030211 k( 106) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0030211 k( 107) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0030211 k( 108) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0030211 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0030211 k( 110) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0030211 k( 111) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030211 k( 112) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0030211 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0030211 k( 114) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0030211 k( 115) = ( 0.1436782 0.1436782 0.0000000), wk = 0.0030211 k( 116) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0030211 k( 117) = ( 0.1321839 0.1321839 0.0000000), wk = 0.0030211 k( 118) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0030211 k( 119) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0030211 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0030211 k( 121) = ( 0.1091954 0.1091954 -0.0000000), wk = 0.0030211 k( 122) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0030211 k( 123) = ( 0.0977012 0.0977011 -0.0000000), wk = 0.0030211 k( 124) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0030211 k( 125) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0030211 k( 126) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0030211 k( 127) = ( 0.0747126 0.0747126 -0.0000000), wk = 0.0030211 k( 128) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0030211 k( 129) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0030211 k( 130) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0030211 k( 131) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0030211 k( 132) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0030211 k( 133) = ( 0.0402299 0.0402299 -0.0000000), wk = 0.0030211 k( 134) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0030211 k( 135) = ( 0.0287356 0.0287356 -0.0000000), wk = 0.0030211 k( 136) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0030211 k( 137) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0030211 k( 138) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0030211 k( 139) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0030211 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 142) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0030211 k( 143) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030211 k( 144) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0030211 k( 145) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030211 k( 146) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0030211 k( 147) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030211 k( 148) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0030211 k( 149) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0030211 k( 151) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030211 k( 152) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0030211 k( 153) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030211 k( 154) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0030211 k( 155) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030211 k( 156) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0030211 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 159) = ( 0.0100000 -0.0000000 0.5000000), wk = 0.0030211 k( 160) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0030211 k( 161) = ( 0.0300000 -0.0000000 0.5000000), wk = 0.0030211 k( 162) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0030211 k( 163) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0030211 k( 164) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0030211 k( 165) = ( 0.0700000 -0.0000000 0.5000000), wk = 0.0030211 k( 166) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0030211 k( 167) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0030211 k( 168) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0030211 k( 169) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0030211 k( 170) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0030211 k( 171) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0030211 k( 172) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0030211 k( 173) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0030211 k( 174) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0030211 k( 175) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0030211 k( 176) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0030211 k( 177) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0030211 k( 178) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0030211 k( 179) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0030211 k( 180) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0030211 k( 181) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0030211 k( 182) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0030211 k( 183) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0030211 k( 184) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0030211 k( 185) = ( 0.2700000 -0.0000000 0.5000000), wk = 0.0030211 k( 186) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0030211 k( 187) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0030211 k( 188) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0030211 k( 189) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0030211 k( 190) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0030211 k( 191) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0030211 k( 192) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0030211 k( 193) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0030211 k( 194) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0030211 k( 195) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0030211 k( 196) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0030211 k( 197) = ( 0.3900000 -0.0000000 0.5000000), wk = 0.0030211 k( 198) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0030211 k( 199) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0030211 k( 200) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0030211 k( 201) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0030211 k( 202) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0030211 k( 203) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0030211 k( 204) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0030211 k( 205) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0030211 k( 206) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0030211 k( 207) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0030211 k( 208) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 210) = ( 0.4942529 0.0114942 0.5000000), wk = 0.0030211 k( 211) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0030211 k( 212) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0030211 k( 213) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0030211 k( 214) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0030211 k( 215) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0030211 k( 216) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0030211 k( 217) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0030211 k( 218) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0030211 k( 219) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0030211 k( 220) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0030211 k( 221) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0030211 k( 222) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0030211 k( 223) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0030211 k( 224) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0030211 k( 225) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0030211 k( 226) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0030211 k( 227) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0030211 k( 228) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0030211 k( 229) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0030211 k( 230) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0030211 k( 231) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0030211 k( 232) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0030211 k( 233) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0030211 k( 234) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0030211 k( 235) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0030211 k( 236) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0030211 k( 237) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0030211 k( 238) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 k( 240) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0030211 k( 241) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0030211 k( 242) = ( 0.3160920 0.3160919 0.5000000), wk = 0.0030211 k( 243) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0030211 k( 244) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0030211 k( 245) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0030211 k( 246) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0030211 k( 247) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0030211 k( 248) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0030211 k( 249) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0030211 k( 250) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0030211 k( 251) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0030211 k( 252) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0030211 k( 253) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0030211 k( 254) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0030211 k( 255) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0030211 k( 256) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0030211 k( 257) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0030211 k( 258) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0030211 k( 259) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0030211 k( 260) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0030211 k( 261) = ( 0.2068966 0.2068965 0.5000000), wk = 0.0030211 k( 262) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0030211 k( 263) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0030211 k( 264) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0030211 k( 265) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0030211 k( 266) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0030211 k( 267) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0030211 k( 268) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030211 k( 269) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0030211 k( 270) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0030211 k( 271) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0030211 k( 272) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0030211 k( 273) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0030211 k( 274) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0030211 k( 275) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0030211 k( 276) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0030211 k( 277) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0030211 k( 278) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0030211 k( 279) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0030211 k( 280) = ( 0.0977012 0.0977011 0.5000000), wk = 0.0030211 k( 281) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0030211 k( 282) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0030211 k( 283) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0030211 k( 284) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0030211 k( 285) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0030211 k( 286) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0030211 k( 287) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0030211 k( 288) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0030211 k( 289) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0030211 k( 290) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0030211 k( 291) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0030211 k( 292) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0030211 k( 293) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0030211 k( 294) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0030211 k( 295) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0030211 k( 296) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0030211 k( 297) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 299) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0030211 k( 300) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0030211 k( 301) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0030211 k( 302) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0030211 k( 303) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0030211 k( 304) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0030211 k( 305) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0030211 k( 306) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030211 k( 307) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0030211 k( 308) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0030211 k( 309) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0030211 k( 310) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0030211 k( 311) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0030211 k( 312) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0030211 k( 313) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0030211 k( 314) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030211 k( 315) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030211 k( 316) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0030211 k( 317) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0030211 k( 318) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0030211 k( 319) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030211 k( 320) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0030211 k( 321) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0030211 k( 322) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0030211 k( 323) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030211 k( 324) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0030211 k( 325) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0030211 k( 326) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0030211 k( 327) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030211 k( 328) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0030211 k( 329) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0030211 k( 330) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0030211 k( 331) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 Dense grid: 219463 G-vectors FFT dimensions: ( 60, 60, 160) Smooth grid: 34825 G-vectors FFT dimensions: ( 32, 32, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 244, 60) NL pseudopotentials 0.31 Mb ( 122, 164) Each V/rho on FFT grid 0.27 Mb ( 18000) Each G-vector array 0.05 Mb ( 6094) G-vector shells 0.02 Mb ( 2641) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.89 Mb ( 244, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.30 Mb ( 164, 2, 60) The potential is recalculated from file : ./CdClO.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.6 secs Computing kpt #: 15 total cpu time spent up to now is 12.2 secs Computing kpt #: 16 total cpu time spent up to now is 12.8 secs Computing kpt #: 17 total cpu time spent up to now is 13.4 secs Computing kpt #: 18 total cpu time spent up to now is 14.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 15.6 secs Computing kpt #: 21 total cpu time spent up to now is 16.3 secs Computing kpt #: 22 total cpu time spent up to now is 16.9 secs Computing kpt #: 23 total cpu time spent up to now is 17.6 secs Computing kpt #: 24 total cpu time spent up to now is 18.2 secs Computing kpt #: 25 total cpu time spent up to now is 18.9 secs Computing kpt #: 26 total cpu time spent up to now is 19.6 secs Computing kpt #: 27 total cpu time spent up to now is 20.3 secs Computing kpt #: 28 total cpu time spent up to now is 21.0 secs Computing kpt #: 29 total cpu time spent up to now is 21.7 secs Computing kpt #: 30 total cpu time spent up to now is 22.5 secs Computing kpt #: 31 total cpu time spent up to now is 23.2 secs Computing kpt #: 32 total cpu time spent up to now is 23.9 secs Computing kpt #: 33 total cpu time spent up to now is 24.6 secs Computing kpt #: 34 total cpu time spent up to now is 25.3 secs Computing kpt #: 35 total cpu time spent up to now is 26.0 secs Computing kpt #: 36 total cpu time spent up to now is 26.7 secs Computing kpt #: 37 total cpu time spent up to now is 27.4 secs Computing kpt #: 38 total cpu time spent up to now is 28.0 secs Computing kpt #: 39 total cpu time spent up to now is 28.7 secs Computing kpt #: 40 total cpu time spent up to now is 29.4 secs Computing kpt #: 41 total cpu time spent up to now is 30.1 secs Computing kpt #: 42 total cpu time spent up to now is 30.8 secs Computing kpt #: 43 total cpu time spent up to now is 31.4 secs Computing kpt #: 44 total cpu time spent up to now is 32.1 secs Computing kpt #: 45 total cpu time spent up to now is 32.7 secs Computing kpt #: 46 total cpu time spent up to now is 33.4 secs Computing kpt #: 47 total cpu time spent up to now is 34.1 secs Computing kpt #: 48 total cpu time spent up to now is 34.7 secs Computing kpt #: 49 total cpu time spent up to now is 35.4 secs Computing kpt #: 50 total cpu time spent up to now is 36.0 secs Computing kpt #: 51 total cpu time spent up to now is 36.7 secs Computing kpt #: 52 total cpu time spent up to now is 37.3 secs Computing kpt #: 53 total cpu time spent up to now is 38.0 secs Computing kpt #: 54 total cpu time spent up to now is 38.6 secs Computing kpt #: 55 total cpu time spent up to now is 39.2 secs Computing kpt #: 56 total cpu time spent up to now is 39.9 secs Computing kpt #: 57 total cpu time spent up to now is 40.5 secs Computing kpt #: 58 total cpu time spent up to now is 41.2 secs Computing kpt #: 59 total cpu time spent up to now is 41.8 secs Computing kpt #: 60 total cpu time spent up to now is 42.5 secs Computing kpt #: 61 total cpu time spent up to now is 43.1 secs Computing kpt #: 62 total cpu time spent up to now is 43.8 secs Computing kpt #: 63 total cpu time spent up to now is 44.4 secs Computing kpt #: 64 total cpu time spent up to now is 45.1 secs Computing kpt #: 65 total cpu time spent up to now is 45.7 secs Computing kpt #: 66 total cpu time spent up to now is 46.4 secs Computing kpt #: 67 total cpu time spent up to now is 47.0 secs Computing kpt #: 68 total cpu time spent up to now is 47.7 secs Computing kpt #: 69 total cpu time spent up to now is 48.4 secs Computing kpt #: 70 total cpu time spent up to now is 49.1 secs Computing kpt #: 71 total cpu time spent up to now is 49.8 secs Computing kpt #: 72 total cpu time spent up to now is 50.4 secs Computing kpt #: 73 total cpu time spent up to now is 51.1 secs Computing kpt #: 74 total cpu time spent up to now is 51.8 secs Computing kpt #: 75 total cpu time spent up to now is 52.5 secs Computing kpt #: 76 total cpu time spent up to now is 53.2 secs Computing kpt #: 77 total cpu time spent up to now is 53.9 secs Computing kpt #: 78 total cpu time spent up to now is 54.5 secs Computing kpt #: 79 total cpu time spent up to now is 55.5 secs Computing kpt #: 80 total cpu time spent up to now is 56.4 secs Computing kpt #: 81 total cpu time spent up to now is 57.1 secs Computing kpt #: 82 total cpu time spent up to now is 57.8 secs Computing kpt #: 83 total cpu time spent up to now is 58.5 secs Computing kpt #: 84 total cpu time spent up to now is 59.2 secs Computing kpt #: 85 total cpu time spent up to now is 59.9 secs Computing kpt #: 86 total cpu time spent up to now is 60.6 secs Computing kpt #: 87 total cpu time spent up to now is 61.3 secs Computing kpt #: 88 total cpu time spent up to now is 62.0 secs Computing kpt #: 89 total cpu time spent up to now is 62.7 secs Computing kpt #: 90 total cpu time spent up to now is 63.4 secs Computing kpt #: 91 total cpu time spent up to now is 64.1 secs Computing kpt #: 92 total cpu time spent up to now is 64.7 secs Computing kpt #: 93 total cpu time spent up to now is 65.4 secs Computing kpt #: 94 total cpu time spent up to now is 66.1 secs Computing kpt #: 95 total cpu time spent up to now is 66.8 secs Computing kpt #: 96 total cpu time spent up to now is 67.5 secs Computing kpt #: 97 total cpu time spent up to now is 68.2 secs Computing kpt #: 98 total cpu time spent up to now is 68.9 secs Computing kpt #: 99 total cpu time spent up to now is 69.6 secs Computing kpt #: 100 total cpu time spent up to now is 70.3 secs Computing kpt #: 101 total cpu time spent up to now is 71.0 secs Computing kpt #: 102 total cpu time spent up to now is 71.7 secs Computing kpt #: 103 total cpu time spent up to now is 72.4 secs Computing kpt #: 104 total cpu time spent up to now is 73.1 secs Computing kpt #: 105 total cpu time spent up to now is 73.9 secs Computing kpt #: 106 total cpu time spent up to now is 74.6 secs Computing kpt #: 107 total cpu time spent up to now is 75.3 secs Computing kpt #: 108 total cpu time spent up to now is 76.0 secs Computing kpt #: 109 total cpu time spent up to now is 76.7 secs Computing kpt #: 110 total cpu time spent up to now is 77.4 secs Computing kpt #: 111 total cpu time spent up to now is 78.1 secs Computing kpt #: 112 total cpu time spent up to now is 78.8 secs Computing kpt #: 113 total cpu time spent up to now is 79.5 secs Computing kpt #: 114 total cpu time spent up to now is 80.1 secs Computing kpt #: 115 total cpu time spent up to now is 80.8 secs Computing kpt #: 116 total cpu time spent up to now is 81.4 secs Computing kpt #: 117 total cpu time spent up to now is 82.1 secs Computing kpt #: 118 total cpu time spent up to now is 82.8 secs Computing kpt #: 119 total cpu time spent up to now is 83.4 secs Computing kpt #: 120 total cpu time spent up to now is 84.1 secs Computing kpt #: 121 total cpu time spent up to now is 84.7 secs Computing kpt #: 122 total cpu time spent up to now is 85.3 secs Computing kpt #: 123 total cpu time spent up to now is 86.0 secs Computing kpt #: 124 total cpu time spent up to now is 86.6 secs Computing kpt #: 125 total cpu time spent up to now is 87.2 secs Computing kpt #: 126 total cpu time spent up to now is 87.8 secs Computing kpt #: 127 total cpu time spent up to now is 88.6 secs Computing kpt #: 128 total cpu time spent up to now is 89.2 secs Computing kpt #: 129 total cpu time spent up to now is 89.8 secs Computing kpt #: 130 total cpu time spent up to now is 90.4 secs Computing kpt #: 131 total cpu time spent up to now is 91.0 secs Computing kpt #: 132 total cpu time spent up to now is 91.6 secs Computing kpt #: 133 total cpu time spent up to now is 92.2 secs Computing kpt #: 134 total cpu time spent up to now is 92.8 secs Computing kpt #: 135 total cpu time spent up to now is 93.3 secs Computing kpt #: 136 total cpu time spent up to now is 94.0 secs Computing kpt #: 137 total cpu time spent up to now is 94.5 secs Computing kpt #: 138 total cpu time spent up to now is 95.2 secs Computing kpt #: 139 total cpu time spent up to now is 95.8 secs Computing kpt #: 140 total cpu time spent up to now is 96.4 secs Computing kpt #: 141 total cpu time spent up to now is 97.0 secs Computing kpt #: 142 total cpu time spent up to now is 97.6 secs Computing kpt #: 143 total cpu time spent up to now is 98.1 secs Computing kpt #: 144 total cpu time spent up to now is 98.7 secs Computing kpt #: 145 total cpu time spent up to now is 99.4 secs Computing kpt #: 146 total cpu time spent up to now is 99.9 secs Computing kpt #: 147 total cpu time spent up to now is 100.5 secs Computing kpt #: 148 total cpu time spent up to now is 101.1 secs Computing kpt #: 149 total cpu time spent up to now is 101.7 secs Computing kpt #: 150 total cpu time spent up to now is 102.4 secs Computing kpt #: 151 total cpu time spent up to now is 103.0 secs Computing kpt #: 152 total cpu time spent up to now is 103.5 secs Computing kpt #: 153 total cpu time spent up to now is 104.1 secs Computing kpt #: 154 total cpu time spent up to now is 104.8 secs Computing kpt #: 155 total cpu time spent up to now is 105.3 secs Computing kpt #: 156 total cpu time spent up to now is 106.0 secs Computing kpt #: 157 total cpu time spent up to now is 106.5 secs Computing kpt #: 158 total cpu time spent up to now is 107.1 secs Computing kpt #: 159 total cpu time spent up to now is 107.7 secs Computing kpt #: 160 total cpu time spent up to now is 108.4 secs Computing kpt #: 161 total cpu time spent up to now is 109.0 secs Computing kpt #: 162 total cpu time spent up to now is 109.6 secs Computing kpt #: 163 total cpu time spent up to now is 110.2 secs Computing kpt #: 164 total cpu time spent up to now is 110.8 secs Computing kpt #: 165 total cpu time spent up to now is 111.4 secs Computing kpt #: 166 total cpu time spent up to now is 112.0 secs Computing kpt #: 167 total cpu time spent up to now is 112.6 secs Computing kpt #: 168 total cpu time spent up to now is 113.2 secs Computing kpt #: 169 total cpu time spent up to now is 113.8 secs Computing kpt #: 170 total cpu time spent up to now is 114.4 secs Computing kpt #: 171 total cpu time spent up to now is 115.0 secs Computing kpt #: 172 total cpu time spent up to now is 115.6 secs Computing kpt #: 173 total cpu time spent up to now is 116.3 secs Computing kpt #: 174 total cpu time spent up to now is 116.9 secs Computing kpt #: 175 total cpu time spent up to now is 117.5 secs Computing kpt #: 176 total cpu time spent up to now is 118.1 secs Computing kpt #: 177 total cpu time spent up to now is 118.8 secs Computing kpt #: 178 total cpu time spent up to now is 119.5 secs Computing kpt #: 179 total cpu time spent up to now is 120.1 secs Computing kpt #: 180 total cpu time spent up to now is 120.8 secs Computing kpt #: 181 total cpu time spent up to now is 121.5 secs Computing kpt #: 182 total cpu time spent up to now is 122.1 secs Computing kpt #: 183 total cpu time spent up to now is 122.8 secs Computing kpt #: 184 total cpu time spent up to now is 123.4 secs Computing kpt #: 185 total cpu time spent up to now is 124.1 secs Computing kpt #: 186 total cpu time spent up to now is 124.7 secs Computing kpt #: 187 total cpu time spent up to now is 125.4 secs Computing kpt #: 188 total cpu time spent up to now is 126.0 secs Computing kpt #: 189 total cpu time spent up to now is 126.7 secs Computing kpt #: 190 total cpu time spent up to now is 127.3 secs Computing kpt #: 191 total cpu time spent up to now is 128.0 secs Computing kpt #: 192 total cpu time spent up to now is 128.6 secs Computing kpt #: 193 total cpu time spent up to now is 129.3 secs Computing kpt #: 194 total cpu time spent up to now is 129.9 secs Computing kpt #: 195 total cpu time spent up to now is 130.5 secs Computing kpt #: 196 total cpu time spent up to now is 131.2 secs Computing kpt #: 197 total cpu time spent up to now is 131.8 secs Computing kpt #: 198 total cpu time spent up to now is 132.5 secs Computing kpt #: 199 total cpu time spent up to now is 133.1 secs Computing kpt #: 200 total cpu time spent up to now is 133.7 secs Computing kpt #: 201 total cpu time spent up to now is 134.3 secs Computing kpt #: 202 total cpu time spent up to now is 135.0 secs Computing kpt #: 203 total cpu time spent up to now is 135.6 secs Computing kpt #: 204 total cpu time spent up to now is 136.2 secs Computing kpt #: 205 total cpu time spent up to now is 136.9 secs Computing kpt #: 206 total cpu time spent up to now is 137.5 secs Computing kpt #: 207 total cpu time spent up to now is 138.1 secs Computing kpt #: 208 total cpu time spent up to now is 138.7 secs Computing kpt #: 209 total cpu time spent up to now is 139.3 secs Computing kpt #: 210 total cpu time spent up to now is 139.9 secs Computing kpt #: 211 total cpu time spent up to now is 140.7 secs Computing kpt #: 212 total cpu time spent up to now is 141.3 secs Computing kpt #: 213 total cpu time spent up to now is 141.9 secs Computing kpt #: 214 total cpu time spent up to now is 142.6 secs Computing kpt #: 215 total cpu time spent up to now is 143.2 secs Computing kpt #: 216 total cpu time spent up to now is 143.9 secs Computing kpt #: 217 total cpu time spent up to now is 144.5 secs Computing kpt #: 218 total cpu time spent up to now is 145.1 secs Computing kpt #: 219 total cpu time spent up to now is 145.8 secs Computing kpt #: 220 total cpu time spent up to now is 146.4 secs Computing kpt #: 221 total cpu time spent up to now is 147.1 secs Computing kpt #: 222 total cpu time spent up to now is 147.7 secs Computing kpt #: 223 total cpu time spent up to now is 148.4 secs Computing kpt #: 224 total cpu time spent up to now is 149.1 secs Computing kpt #: 225 total cpu time spent up to now is 149.7 secs Computing kpt #: 226 total cpu time spent up to now is 150.4 secs Computing kpt #: 227 total cpu time spent up to now is 151.0 secs Computing kpt #: 228 total cpu time spent up to now is 151.7 secs Computing kpt #: 229 total cpu time spent up to now is 152.4 secs Computing kpt #: 230 total cpu time spent up to now is 153.0 secs Computing kpt #: 231 total cpu time spent up to now is 153.9 secs Computing kpt #: 232 total cpu time spent up to now is 154.9 secs Computing kpt #: 233 total cpu time spent up to now is 155.6 secs Computing kpt #: 234 total cpu time spent up to now is 156.5 secs Computing kpt #: 235 total cpu time spent up to now is 157.3 secs Computing kpt #: 236 total cpu time spent up to now is 158.1 secs Computing kpt #: 237 total cpu time spent up to now is 158.9 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.9 secs Computing kpt #: 239 total cpu time spent up to now is 162.5 secs Computing kpt #: 240 total cpu time spent up to now is 163.4 secs Computing kpt #: 241 total cpu time spent up to now is 164.2 secs Computing kpt #: 242 total cpu time spent up to now is 165.0 secs Computing kpt #: 243 total cpu time spent up to now is 165.8 secs Computing kpt #: 244 total cpu time spent up to now is 166.6 secs Computing kpt #: 245 total cpu time spent up to now is 167.4 secs Computing kpt #: 246 total cpu time spent up to now is 168.1 secs Computing kpt #: 247 total cpu time spent up to now is 168.7 secs Computing kpt #: 248 total cpu time spent up to now is 169.4 secs Computing kpt #: 249 total cpu time spent up to now is 170.1 secs Computing kpt #: 250 total cpu time spent up to now is 170.7 secs Computing kpt #: 251 total cpu time spent up to now is 171.4 secs Computing kpt #: 252 total cpu time spent up to now is 172.1 secs Computing kpt #: 253 total cpu time spent up to now is 172.8 secs Computing kpt #: 254 total cpu time spent up to now is 173.4 secs Computing kpt #: 255 total cpu time spent up to now is 174.1 secs Computing kpt #: 256 total cpu time spent up to now is 174.7 secs Computing kpt #: 257 total cpu time spent up to now is 175.4 secs Computing kpt #: 258 total cpu time spent up to now is 176.1 secs Computing kpt #: 259 total cpu time spent up to now is 176.7 secs Computing kpt #: 260 total cpu time spent up to now is 177.3 secs Computing kpt #: 261 total cpu time spent up to now is 177.9 secs Computing kpt #: 262 total cpu time spent up to now is 178.6 secs Computing kpt #: 263 total cpu time spent up to now is 179.3 secs Computing kpt #: 264 total cpu time spent up to now is 179.9 secs Computing kpt #: 265 total cpu time spent up to now is 180.6 secs Computing kpt #: 266 total cpu time spent up to now is 181.3 secs Computing kpt #: 267 total cpu time spent up to now is 181.9 secs Computing kpt #: 268 total cpu time spent up to now is 182.5 secs Computing kpt #: 269 total cpu time spent up to now is 183.2 secs Computing kpt #: 270 total cpu time spent up to now is 183.9 secs Computing kpt #: 271 total cpu time spent up to now is 184.5 secs Computing kpt #: 272 total cpu time spent up to now is 185.1 secs Computing kpt #: 273 total cpu time spent up to now is 185.8 secs Computing kpt #: 274 total cpu time spent up to now is 186.5 secs Computing kpt #: 275 total cpu time spent up to now is 187.1 secs Computing kpt #: 276 total cpu time spent up to now is 187.8 secs Computing kpt #: 277 total cpu time spent up to now is 188.5 secs Computing kpt #: 278 total cpu time spent up to now is 189.1 secs Computing kpt #: 279 total cpu time spent up to now is 189.7 secs Computing kpt #: 280 total cpu time spent up to now is 190.3 secs Computing kpt #: 281 total cpu time spent up to now is 190.9 secs Computing kpt #: 282 total cpu time spent up to now is 191.5 secs Computing kpt #: 283 total cpu time spent up to now is 192.1 secs Computing kpt #: 284 total cpu time spent up to now is 192.7 secs Computing kpt #: 285 total cpu time spent up to now is 193.3 secs Computing kpt #: 286 total cpu time spent up to now is 193.9 secs Computing kpt #: 287 total cpu time spent up to now is 194.5 secs Computing kpt #: 288 total cpu time spent up to now is 195.1 secs Computing kpt #: 289 total cpu time spent up to now is 195.6 secs Computing kpt #: 290 total cpu time spent up to now is 196.2 secs Computing kpt #: 291 total cpu time spent up to now is 196.8 secs Computing kpt #: 292 total cpu time spent up to now is 197.4 secs Computing kpt #: 293 total cpu time spent up to now is 198.0 secs Computing kpt #: 294 total cpu time spent up to now is 198.6 secs Computing kpt #: 295 total cpu time spent up to now is 199.2 secs Computing kpt #: 296 total cpu time spent up to now is 199.8 secs Computing kpt #: 297 total cpu time spent up to now is 200.4 secs Computing kpt #: 298 total cpu time spent up to now is 201.0 secs Computing kpt #: 299 total cpu time spent up to now is 201.7 secs Computing kpt #: 300 total cpu time spent up to now is 202.3 secs Computing kpt #: 301 total cpu time spent up to now is 202.9 secs Computing kpt #: 302 total cpu time spent up to now is 203.6 secs Computing kpt #: 303 total cpu time spent up to now is 204.2 secs Computing kpt #: 304 total cpu time spent up to now is 204.8 secs Computing kpt #: 305 total cpu time spent up to now is 205.5 secs Computing kpt #: 306 total cpu time spent up to now is 206.1 secs Computing kpt #: 307 total cpu time spent up to now is 206.7 secs Computing kpt #: 308 total cpu time spent up to now is 207.4 secs Computing kpt #: 309 total cpu time spent up to now is 208.0 secs Computing kpt #: 310 total cpu time spent up to now is 208.7 secs Computing kpt #: 311 total cpu time spent up to now is 209.3 secs Computing kpt #: 312 total cpu time spent up to now is 209.9 secs Computing kpt #: 313 total cpu time spent up to now is 210.5 secs Computing kpt #: 314 total cpu time spent up to now is 211.2 secs Computing kpt #: 315 total cpu time spent up to now is 211.9 secs Computing kpt #: 316 total cpu time spent up to now is 212.6 secs Computing kpt #: 317 total cpu time spent up to now is 213.3 secs Computing kpt #: 318 total cpu time spent up to now is 214.0 secs Computing kpt #: 319 total cpu time spent up to now is 214.7 secs Computing kpt #: 320 total cpu time spent up to now is 215.3 secs Computing kpt #: 321 total cpu time spent up to now is 216.1 secs Computing kpt #: 322 total cpu time spent up to now is 216.8 secs Computing kpt #: 323 total cpu time spent up to now is 217.8 secs Computing kpt #: 324 total cpu time spent up to now is 218.6 secs Computing kpt #: 325 total cpu time spent up to now is 219.4 secs Computing kpt #: 326 total cpu time spent up to now is 220.4 secs Computing kpt #: 327 total cpu time spent up to now is 221.2 secs Computing kpt #: 328 total cpu time spent up to now is 222.3 secs Computing kpt #: 329 total cpu time spent up to now is 223.3 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.3 secs Computing kpt #: 331 total cpu time spent up to now is 227.0 secs ethr = 2.00E-08, avg # of iterations = 18.3 total cpu time spent up to now is 227.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -11.9929 -11.9929 -11.9233 -11.9233 -10.2505 -10.2505 -10.1423 -10.1423 -3.1993 -3.1993 -3.1947 -3.1947 -3.0669 -3.0669 -3.0251 -3.0251 -2.6262 -2.6262 -2.5897 -2.5897 -2.3035 -2.3035 -2.2741 -2.2741 -2.2670 -2.2670 -2.2632 -2.2632 0.6309 0.6309 0.7422 0.7422 2.8279 2.8279 2.8905 2.8905 2.9296 2.9296 3.0110 3.0110 3.1062 3.1062 3.7006 3.7006 3.7051 3.7051 3.8111 3.8111 3.8605 3.8605 3.8633 3.8633 6.5131 6.5131 8.2185 8.2185 10.3738 10.3738 10.6486 10.6486 k = 0.0100 0.0058-0.0000 ( 4369 PWs) bands (ev): -11.9927 -11.9926 -11.9233 -11.9231 -10.2503 -10.2501 -10.1422 -10.1420 -3.1991 -3.1991 -3.1945 -3.1945 -3.0720 -3.0614 -3.0281 -3.0217 -2.6302 -2.6217 -2.5917 -2.5872 -2.3055 -2.3017 -2.2740 -2.2740 -2.2677 -2.2674 -2.2639 -2.2613 0.6304 0.6321 0.7408 0.7435 2.8015 2.8416 2.8668 2.8993 2.9391 2.9436 3.0081 3.0098 3.1042 3.1042 3.6944 3.6962 3.7030 3.7033 3.8145 3.8162 3.8592 3.8594 3.8623 3.8626 6.5167 6.5182 8.2191 8.2205 10.3762 10.3781 10.6505 10.6533 k = 0.0200 0.0115-0.0000 ( 4365 PWs) bands (ev): -11.9921 -11.9919 -11.9229 -11.9226 -10.2494 -10.2490 -10.1417 -10.1414 -3.1984 -3.1984 -3.1939 -3.1939 -3.0766 -3.0554 -3.0310 -3.0181 -2.6334 -2.6165 -2.5933 -2.5842 -2.3076 -2.3002 -2.2737 -2.2735 -2.2694 -2.2682 -2.2637 -2.2591 0.6306 0.6341 0.7393 0.7447 2.7689 2.8202 2.8632 2.8955 2.9591 2.9719 3.0011 3.0046 3.0984 3.0985 3.6758 3.6798 3.7009 3.7018 3.8241 3.8262 3.8546 3.8552 3.8610 3.8620 6.5286 6.5317 8.2223 8.2250 10.3851 10.3891 10.6589 10.6645 k = 0.0300 0.0173-0.0000 ( 4367 PWs) bands (ev): -11.9911 -11.9907 -11.9223 -11.9218 -10.2479 -10.2473 -10.1409 -10.1404 -3.1974 -3.1973 -3.1929 -3.1929 -3.0807 -3.0489 -3.0335 -3.0143 -2.6360 -2.6109 -2.5945 -2.5809 -2.3098 -2.2991 -2.2734 -2.2730 -2.2714 -2.2689 -2.2633 -2.2567 0.6316 0.6368 0.7377 0.7457 2.7329 2.7842 2.8651 2.8896 2.9835 2.9890 2.9948 3.0017 3.0898 3.0900 3.6504 3.6553 3.6983 3.7001 3.8335 3.8342 3.8489 3.8503 3.8598 3.8616 6.5490 6.5535 8.2281 8.2322 10.4006 10.4066 10.6737 10.6821 k = 0.0400 0.0231-0.0000 ( 4369 PWs) bands (ev): -11.9897 -11.9891 -11.9214 -11.9207 -10.2457 -10.2450 -10.1397 -10.1391 -3.1960 -3.1957 -3.1916 -3.1916 -3.0843 -3.0421 -3.0358 -3.0104 -2.6380 -2.6047 -2.5952 -2.5773 -2.3120 -2.2985 -2.2735 -2.2729 -2.2729 -2.2689 -2.2628 -2.2541 0.6334 0.6403 0.7359 0.7465 2.6945 2.7457 2.8637 2.8827 2.9713 2.9782 3.0103 3.0302 3.0796 3.0799 3.6208 3.6260 3.6950 3.6976 3.8257 3.8294 3.8539 3.8557 3.8585 3.8622 6.5773 6.5833 8.2364 8.2418 10.4224 10.4305 10.6947 10.7060 k = 0.0500 0.0289-0.0000 ( 4369 PWs) bands (ev): -11.9878 -11.9871 -11.9202 -11.9194 -10.2429 -10.2419 -10.1382 -10.1373 -3.1942 -3.1937 -3.1900 -3.1899 -3.0873 -3.0378 -3.0348 -3.0061 -2.6391 -2.5981 -2.5954 -2.5733 -2.3143 -2.2983 -2.2756 -2.2737 -2.2724 -2.2673 -2.2624 -2.2515 0.6359 0.6444 0.7339 0.7471 2.6545 2.7056 2.8596 2.8748 2.9470 2.9557 3.0358 3.0568 3.0691 3.0693 3.5884 3.5937 3.6910 3.6943 3.8094 3.8136 3.8570 3.8581 3.8652 3.8694 6.6131 6.6205 8.2471 8.2538 10.4503 10.4606 10.7218 10.7361 k = 0.0600 0.0346-0.0000 ( 4373 PWs) bands (ev): -11.9855 -11.9847 -11.9187 -11.9178 -10.2394 -10.2383 -10.1363 -10.1353 -3.1921 -3.1912 -3.1880 -3.1878 -3.0899 -3.0395 -3.0272 -3.0018 -2.6396 -2.5950 -2.5911 -2.5691 -2.3164 -2.2987 -2.2778 -2.2752 -2.2719 -2.2648 -2.2620 -2.2488 0.6391 0.6493 0.7317 0.7474 2.6132 2.6645 2.8533 2.8656 2.9162 2.9264 3.0556 3.0585 3.0631 3.0814 3.5542 3.5595 3.6862 3.6903 3.7886 3.7933 3.8552 3.8572 3.8759 3.8790 6.6561 6.6647 8.2601 8.2681 10.4841 10.4966 10.7545 10.7721 k = 0.0700 0.0404-0.0000 ( 4373 PWs) bands (ev): -11.9828 -11.9818 -11.9170 -11.9159 -10.2353 -10.2341 -10.1340 -10.1328 -3.1895 -3.1881 -3.1856 -3.1853 -3.0919 -3.0409 -3.0192 -2.9973 -2.6393 -2.5941 -2.5836 -2.5645 -2.3186 -2.2993 -2.2799 -2.2769 -2.2715 -2.2616 -2.2615 -2.2459 0.6430 0.6548 0.7291 0.7472 2.5708 2.6223 2.8450 2.8550 2.8794 2.8908 3.0475 3.0479 3.0830 3.1029 3.5192 3.5241 3.6807 3.6855 3.7640 3.7692 3.8533 3.8558 3.8855 3.8876 6.7056 6.7154 8.2753 8.2845 10.5233 10.5382 10.7926 10.8135 k = 0.0800 0.0462-0.0000 ( 4377 PWs) bands (ev): -11.9798 -11.9786 -11.9151 -11.9138 -10.2306 -10.2292 -10.1313 -10.1300 -3.1867 -3.1846 -3.1830 -3.1825 -3.0935 -3.0420 -3.0110 -2.9926 -2.6382 -2.5927 -2.5760 -2.5596 -2.3208 -2.3003 -2.2820 -2.2788 -2.2710 -2.2610 -2.2579 -2.2431 0.6476 0.6609 0.7262 0.7466 2.5277 2.5791 2.8342 2.8348 2.8458 2.8506 3.0373 3.0375 3.1018 3.1208 3.4844 3.4888 3.6744 3.6801 3.7359 3.7417 3.8511 3.8540 3.8936 3.8949 6.7611 6.7720 8.2926 8.3029 10.5676 10.5851 10.8356 10.8602 k = 0.0900 0.0520-0.0000 ( 4395 PWs) bands (ev): -11.9763 -11.9750 -11.9129 -11.9114 -10.2254 -10.2238 -10.1284 -10.1269 -3.1838 -3.1807 -3.1799 -3.1795 -3.0946 -3.0428 -3.0025 -2.9879 -2.6365 -2.5909 -2.5683 -2.5546 -2.3230 -2.3014 -2.2843 -2.2807 -2.2705 -2.2605 -2.2539 -2.2402 0.6527 0.6675 0.7228 0.7455 2.4837 2.5349 2.7892 2.8025 2.8252 2.8318 3.0265 3.0271 3.1165 3.1338 3.4513 3.4547 3.6672 3.6738 3.7047 3.7112 3.8488 3.8520 3.9003 3.9009 6.8220 6.8338 8.3116 8.3231 10.6166 10.6367 10.8831 10.9116 k = 0.1000 0.0577-0.0000 ( 4385 PWs) bands (ev): -11.9725 -11.9711 -11.9104 -11.9088 -10.2195 -10.2178 -10.1250 -10.1234 -3.1804 -3.1765 -3.1762 -3.1759 -3.0951 -3.0432 -2.9937 -2.9830 -2.6339 -2.5882 -2.5604 -2.5490 -2.3251 -2.3026 -2.2864 -2.2826 -2.2699 -2.2596 -2.2493 -2.2371 0.6583 0.6744 0.7190 0.7438 2.4389 2.4898 2.7389 2.7539 2.8118 2.8176 3.0152 3.0163 3.1257 3.1404 3.4217 3.4235 3.6577 3.6642 3.6732 3.6794 3.8464 3.8500 3.9057 3.9058 6.8876 6.9003 8.3324 8.3448 10.6696 10.6927 10.9345 10.9673 k = 0.1100 0.0635-0.0000 ( 4379 PWs) bands (ev): -11.9683 -11.9668 -11.9077 -11.9060 -10.2131 -10.2112 -10.1213 -10.1196 -3.1768 -3.1728 -3.1722 -3.1710 -3.0952 -3.0434 -2.9849 -2.9778 -2.6306 -2.5851 -2.5526 -2.5432 -2.3273 -2.3038 -2.2885 -2.2845 -2.2693 -2.2587 -2.2445 -2.2339 0.6642 0.6815 0.7149 0.7417 2.3934 2.4435 2.6859 2.7022 2.7974 2.8023 3.0033 3.0048 3.1274 3.1384 3.3973 3.3980 3.6316 3.6349 3.6576 3.6614 3.8439 3.8477 3.9093 3.9101 6.9574 6.9709 8.3546 8.3680 10.7261 10.7523 10.9892 11.0267 k = 0.1200 0.0693-0.0000 ( 4381 PWs) bands (ev): -11.9639 -11.9622 -11.9048 -11.9030 -10.2061 -10.2040 -10.1173 -10.1154 -3.1731 -3.1687 -3.1682 -3.1655 -3.0947 -3.0432 -2.9763 -2.9721 -2.6266 -2.5815 -2.5452 -2.5370 -2.3294 -2.3049 -2.2907 -2.2863 -2.2686 -2.2575 -2.2395 -2.2306 0.6698 0.6883 0.7106 0.7395 2.3469 2.3960 2.6311 2.6486 2.7818 2.7858 2.9907 2.9926 3.1199 3.1263 3.3782 3.3820 3.5922 3.5978 3.6472 3.6534 3.8413 3.8454 3.9118 3.9132 7.0308 7.0450 8.3781 8.3924 10.7855 10.8151 11.0465 11.0893 k = 0.1300 0.0751-0.0000 ( 4377 PWs) bands (ev): -11.9591 -11.9574 -11.9017 -11.8998 -10.1986 -10.1964 -10.1129 -10.1109 -3.1692 -3.1644 -3.1640 -3.1595 -3.0938 -3.0426 -2.9693 -2.9647 -2.6219 -2.5773 -2.5384 -2.5302 -2.3316 -2.3060 -2.2927 -2.2879 -2.2678 -2.2560 -2.2343 -2.2271 0.6743 0.6938 0.7073 0.7378 2.2994 2.3470 2.5753 2.5941 2.7650 2.7682 2.9774 2.9795 3.1027 3.1041 3.3669 3.3739 3.5505 3.5569 3.6380 3.6452 3.8386 3.8429 3.9133 3.9153 7.1073 7.1220 8.4027 8.4177 10.8468 10.8803 11.1056 11.1542 k = 0.1400 0.0808-0.0000 ( 4381 PWs) bands (ev): -11.9540 -11.9522 -11.8985 -11.8964 -10.1906 -10.1883 -10.1081 -10.1060 -3.1653 -3.1599 -3.1597 -3.1531 -3.0924 -3.0417 -2.9636 -2.9558 -2.6166 -2.5726 -2.5322 -2.5231 -2.3339 -2.3069 -2.2948 -2.2893 -2.2668 -2.2543 -2.2291 -2.2233 0.6754 0.6965 0.7067 0.7381 2.2507 2.2962 2.5193 2.5393 2.7471 2.7494 2.9633 2.9656 3.0736 3.0768 3.3627 3.3724 3.5071 3.5140 3.6287 3.6367 3.8360 3.8405 3.9139 3.9164 7.1864 7.2016 8.4280 8.4437 10.9094 10.9471 11.1657 11.2209 k = 0.1500 0.0866-0.0000 ( 4387 PWs) bands (ev): -11.9488 -11.9468 -11.8950 -11.8929 -10.1821 -10.1797 -10.1031 -10.1008 -3.1612 -3.1553 -3.1552 -3.1464 -3.0906 -3.0404 -2.9582 -2.9466 -2.6107 -2.5674 -2.5266 -2.5157 -2.3362 -2.3076 -2.2969 -2.2903 -2.2656 -2.2524 -2.2242 -2.2190 0.6717 0.6951 0.7102 0.7417 2.2004 2.2437 2.4639 2.4851 2.7280 2.7296 2.9483 2.9506 3.0374 3.0447 3.3635 3.3750 3.4625 3.4697 3.6192 3.6278 3.8334 3.8380 3.9137 3.9165 7.2676 7.2831 8.4540 8.4703 10.9720 11.0146 11.2258 11.2884 k = 0.1600 0.0924-0.0000 ( 4387 PWs) bands (ev): -11.9432 -11.9412 -11.8914 -11.8892 -10.1732 -10.1707 -10.0977 -10.0954 -3.1570 -3.1508 -3.1503 -3.1392 -3.0882 -3.0387 -2.9529 -2.9371 -2.6042 -2.5617 -2.5213 -2.5085 -2.3385 -2.3080 -2.2988 -2.2909 -2.2641 -2.2502 -2.2199 -2.2137 0.6641 0.6895 0.7168 0.7482 2.1485 2.1892 2.4096 2.4319 2.7079 2.7087 2.9322 2.9343 2.9977 3.0087 3.3671 3.3788 3.4182 3.4248 3.6096 3.6187 3.8308 3.8355 3.9126 3.9159 7.3505 7.3662 8.4804 8.4972 11.0336 11.0817 11.2851 11.3557 k = 0.1700 0.0981-0.0000 ( 4389 PWs) bands (ev): -11.9375 -11.9354 -11.8877 -11.8853 -10.1639 -10.1612 -10.0920 -10.0896 -3.1527 -3.1462 -3.1453 -3.1318 -3.0853 -3.0366 -2.9477 -2.9277 -2.5971 -2.5556 -2.5164 -2.5016 -2.3409 -2.3079 -2.3007 -2.2910 -2.2623 -2.2476 -2.2161 -2.2078 0.6541 0.6808 0.7249 0.7567 2.0948 2.1328 2.3569 2.3800 2.6868 2.6870 2.9144 2.9160 2.9568 2.9714 3.3641 3.3669 3.3848 3.3932 3.5997 3.6093 3.8282 3.8331 3.9108 3.9145 7.4345 7.4504 8.5069 8.5242 11.0926 11.1471 11.3426 11.4219 k = 0.1800 0.1039-0.0000 ( 4393 PWs) bands (ev): -11.9316 -11.9294 -11.8838 -11.8814 -10.1541 -10.1514 -10.0861 -10.0835 -3.1484 -3.1418 -3.1403 -3.1244 -3.0818 -3.0340 -2.9424 -2.9182 -2.5897 -2.5491 -2.5119 -2.4952 -2.3433 -2.3074 -2.3024 -2.2905 -2.2602 -2.2448 -2.2126 -2.2013 0.6424 0.6697 0.7337 0.7662 2.0395 2.0748 2.3061 2.3295 2.6643 2.6649 2.8917 2.8940 2.9189 2.9357 3.3203 3.3294 3.3827 3.3976 3.5898 3.5998 3.8258 3.8306 3.9083 3.9123 7.5193 7.5352 8.5335 8.5512 11.1473 11.2093 11.3974 11.4858 k = 0.1900 0.1097-0.0000 ( 4401 PWs) bands (ev): -11.9256 -11.9233 -11.8798 -11.8774 -10.1441 -10.1412 -10.0798 -10.0771 -3.1441 -3.1374 -3.1353 -3.1170 -3.0776 -3.0308 -2.9372 -2.9088 -2.5818 -2.5422 -2.5079 -2.4894 -2.3458 -2.3063 -2.3040 -2.2892 -2.2578 -2.2416 -2.2093 -2.1946 0.6292 0.6566 0.7428 0.7760 1.9826 2.0154 2.2571 2.2805 2.6409 2.6422 2.8573 2.8650 2.8916 2.9056 3.2744 3.2842 3.3889 3.4043 3.5798 3.5901 3.8234 3.8283 3.9052 3.9095 7.6044 7.6202 8.5598 8.5778 11.1954 11.2663 11.4489 11.5465 k = 0.2000 0.1155-0.0000 ( 4401 PWs) bands (ev): -11.9194 -11.9171 -11.8758 -11.8732 -10.1337 -10.1308 -10.0732 -10.0705 -3.1397 -3.1332 -3.1302 -3.1098 -3.0726 -3.0271 -2.9319 -2.8995 -2.5735 -2.5351 -2.5044 -2.4843 -2.3480 -2.3052 -2.3046 -2.2871 -2.2550 -2.2381 -2.2060 -2.1875 0.6147 0.6420 0.7518 0.7859 1.9247 1.9551 2.2099 2.2328 2.6167 2.6188 2.8158 2.8290 2.8708 2.8817 3.2291 3.2394 3.3953 3.4111 3.5697 3.5803 3.8211 3.8259 3.9016 3.9061 7.6895 7.7050 8.5859 8.6041 11.2345 11.3160 11.4970 11.6029 k = 0.2100 0.1212-0.0000 ( 4409 PWs) bands (ev): -11.9131 -11.9107 -11.8716 -11.8690 -10.1230 -10.1200 -10.0664 -10.0636 -3.1355 -3.1293 -3.1252 -3.1031 -3.0667 -3.0226 -2.9266 -2.8904 -2.5650 -2.5278 -2.5014 -2.4801 -2.3504 -2.3061 -2.3021 -2.2841 -2.2518 -2.2342 -2.2028 -2.1804 0.5991 0.6260 0.7606 0.7955 1.8661 1.8944 2.1644 2.1863 2.5920 2.5948 2.7727 2.7896 2.8513 2.8606 3.1849 3.1957 3.4015 3.4175 3.5597 3.5706 3.8189 3.8236 3.8974 3.9022 7.7740 7.7893 8.6115 8.6299 11.2623 11.3556 11.5416 11.6545 k = 0.2200 0.1270-0.0000 ( 4409 PWs) bands (ev): -11.9068 -11.9044 -11.8674 -11.8648 -10.1121 -10.1090 -10.0594 -10.0565 -3.1312 -3.1255 -3.1203 -3.0973 -3.0596 -3.0175 -2.9214 -2.8814 -2.5564 -2.5203 -2.4991 -2.4766 -2.3523 -2.3067 -2.2988 -2.2803 -2.2483 -2.2299 -2.1997 -2.1730 0.5825 0.6087 0.7687 0.8045 1.8074 1.8337 2.1202 2.1408 2.5668 2.5703 2.7293 2.7490 2.8319 2.8403 3.1424 3.1539 3.4072 3.4235 3.5497 3.5608 3.8169 3.8214 3.8927 3.8977 7.8576 7.8724 8.6366 8.6551 11.2768 11.3828 11.5830 11.7011 k = 0.2300 0.1328-0.0000 ( 4405 PWs) bands (ev): -11.9004 -11.8980 -11.8632 -11.8605 -10.1010 -10.0979 -10.0521 -10.0492 -3.1270 -3.1219 -3.1156 -3.0924 -3.0515 -3.0116 -2.9161 -2.8726 -2.5477 -2.5128 -2.4973 -2.4739 -2.3540 -2.3069 -2.2947 -2.2757 -2.2443 -2.2252 -2.1966 -2.1654 0.5650 0.5903 0.7761 0.8126 1.7489 1.7735 2.0773 2.0964 2.5413 2.5454 2.6861 2.7079 2.8124 2.8202 3.1022 3.1143 3.4124 3.4288 3.5398 3.5511 3.8149 3.8193 3.8876 3.8927 7.9398 7.9541 8.6612 8.6797 11.2772 11.3953 11.6208 11.7425 k = 0.2400 0.1386-0.0000 ( 4403 PWs) bands (ev): -11.8940 -11.8915 -11.8589 -11.8563 -10.0897 -10.0866 -10.0447 -10.0417 -3.1229 -3.1186 -3.1110 -3.0883 -3.0424 -3.0050 -2.9108 -2.8640 -2.5391 -2.5053 -2.4960 -2.4721 -2.3553 -2.3065 -2.2896 -2.2704 -2.2401 -2.2200 -2.1937 -2.1578 0.5469 0.5712 0.7823 0.8194 1.6913 1.7141 2.0355 2.0531 2.5155 2.5202 2.6431 2.6665 2.7926 2.7999 3.0647 3.0774 3.4170 3.4336 3.5301 3.5414 3.8131 3.8171 3.8821 3.8873 8.0201 8.0337 8.6854 8.7038 11.2642 11.3925 11.6544 11.7788 k = 0.2500 0.1443-0.0000 ( 4415 PWs) bands (ev): -11.8877 -11.8852 -11.8547 -11.8520 -10.0783 -10.0751 -10.0370 -10.0341 -3.1190 -3.1156 -3.1068 -3.0851 -3.0326 -2.9978 -2.9058 -2.8557 -2.5307 -2.4982 -2.4954 -2.4710 -2.3562 -2.3056 -2.2839 -2.2645 -2.2357 -2.2145 -2.1910 -2.1500 0.5283 0.5514 0.7870 0.8245 1.6348 1.6559 1.9950 2.0112 2.4895 2.4947 2.6002 2.6249 2.7726 2.7794 3.0301 3.0434 3.4211 3.4378 3.5206 3.5319 3.8113 3.8150 3.8762 3.8815 8.0979 8.1107 8.7092 8.7275 11.2394 11.3752 11.6831 11.8094 k = 0.2600 0.1501-0.0000 ( 4411 PWs) bands (ev): -11.8813 -11.8788 -11.8504 -11.8477 -10.0668 -10.0637 -10.0292 -10.0263 -3.1153 -3.1127 -3.1027 -3.0825 -3.0223 -2.9899 -2.9006 -2.8477 -2.5225 -2.4952 -2.4913 -2.4706 -2.3564 -2.3039 -2.2772 -2.2580 -2.2310 -2.2085 -2.1883 -2.1422 0.5093 0.5312 0.7899 0.8276 1.5798 1.5992 1.9560 1.9707 2.4636 2.4692 2.5574 2.5830 2.7524 2.7588 2.9986 3.0126 3.4249 3.4416 3.5113 3.5226 3.8097 3.8130 3.8701 3.8754 8.1726 8.1845 8.7329 8.7510 11.2050 11.3456 11.7059 11.8333 k = 0.2700 0.1559-0.0000 ( 4405 PWs) bands (ev): -11.8751 -11.8726 -11.8462 -11.8435 -10.0554 -10.0522 -10.0213 -10.0184 -3.1117 -3.1101 -3.0989 -3.0804 -3.0115 -2.9814 -2.8955 -2.8400 -2.5149 -2.4954 -2.4847 -2.4707 -2.3558 -2.3015 -2.2698 -2.2511 -2.2259 -2.2021 -2.1858 -2.1343 0.4902 0.5108 0.7906 0.8283 1.5267 1.5442 1.9187 1.9322 2.4377 2.4436 2.5148 2.5410 2.7322 2.7381 2.9704 2.9848 3.4283 3.4451 3.5023 3.5135 3.8082 3.8109 3.8638 3.8689 8.2434 8.2544 8.7568 8.7747 11.1634 11.3063 11.7219 11.8494 k = 0.2800 0.1617-0.0000 ( 4401 PWs) bands (ev): -11.8689 -11.8664 -11.8420 -11.8394 -10.0439 -10.0407 -10.0133 -10.0104 -3.1084 -3.1076 -3.0954 -3.0788 -3.0005 -2.9724 -2.8905 -2.8326 -2.5078 -2.4959 -2.4787 -2.4713 -2.3544 -2.2982 -2.2618 -2.2438 -2.2207 -2.1952 -2.1834 -2.1263 0.4711 0.4903 0.7888 0.8261 1.4756 1.4911 1.8834 1.8960 2.4120 2.4182 2.4724 2.4990 2.7119 2.7173 2.9452 2.9600 3.4316 3.4483 3.4935 3.5046 3.8068 3.8087 3.8573 3.8621 8.3097 8.3196 8.7815 8.7990 11.1169 11.2602 11.7307 11.8567 k = 0.2900 0.1674-0.0000 ( 4399 PWs) bands (ev): -11.8629 -11.8604 -11.8379 -11.8353 -10.0325 -10.0293 -10.0053 -10.0024 -3.1054 -3.1054 -3.0921 -3.0776 -2.9894 -2.9630 -2.8856 -2.8258 -2.5014 -2.4967 -2.4733 -2.4722 -2.3522 -2.2940 -2.2533 -2.2363 -2.2153 -2.1880 -2.1812 -2.1185 0.4522 0.4702 0.7843 0.8209 1.4266 1.4399 1.8507 1.8624 2.3865 2.3928 2.4304 2.4573 2.6917 2.6966 2.9228 2.9378 3.4348 3.4513 3.4851 3.4960 3.8054 3.8065 3.8507 3.8550 8.3704 8.3794 8.8072 8.8243 11.0676 11.2099 11.7319 11.8547 k = 0.3000 0.1732-0.0000 ( 4391 PWs) bands (ev): -11.8569 -11.8545 -11.8338 -11.8313 -10.0212 -10.0181 -9.9972 -9.9943 -3.1034 -3.1025 -3.0892 -3.0767 -2.9783 -2.9532 -2.8809 -2.8193 -2.4976 -2.4957 -2.4733 -2.4686 -2.3489 -2.2890 -2.2445 -2.2287 -2.2097 -2.1803 -2.1791 -2.1106 0.4338 0.4504 0.7767 0.8122 1.3798 1.3907 1.8208 1.8319 2.3613 2.3676 2.3892 2.4162 2.6717 2.6760 2.9029 2.9178 3.4380 3.4544 3.4770 3.4877 3.8041 3.8042 3.8441 3.8476 8.4249 8.4329 8.8347 8.8511 11.0173 11.1576 11.7258 11.8433 k = 0.3100 0.1790-0.0000 ( 4377 PWs) bands (ev): -11.8512 -11.8488 -11.8299 -11.8273 -10.0101 -10.0070 -9.9891 -9.9863 -3.1015 -3.1000 -3.0866 -3.0761 -2.9672 -2.9433 -2.8763 -2.8133 -2.4986 -2.4907 -2.4746 -2.4644 -2.3447 -2.2831 -2.2353 -2.2209 -2.2038 -2.1770 -2.1723 -2.1028 0.4159 0.4312 0.7661 0.8000 1.3351 1.3435 1.7942 1.8048 2.3359 2.3425 2.3497 2.3764 2.6519 2.6557 2.8851 2.8997 3.4415 3.4576 3.4694 3.4798 3.8014 3.8031 3.8376 3.8400 8.4724 8.4795 8.8642 8.8797 10.9675 11.1052 11.7127 11.8231 k = 0.3200 0.1848-0.0000 ( 4373 PWs) bands (ev): -11.8456 -11.8433 -11.8260 -11.8236 -9.9992 -9.9962 -9.9811 -9.9783 -3.0998 -3.0978 -3.0842 -3.0758 -2.9564 -2.9332 -2.8719 -2.8079 -2.4997 -2.4867 -2.4759 -2.4610 -2.3397 -2.2765 -2.2262 -2.2132 -2.1977 -2.1751 -2.1641 -2.0952 0.3987 0.4129 0.7524 0.7844 1.2923 1.2981 1.7710 1.7811 2.3063 2.3165 2.3169 2.3389 2.6325 2.6358 2.8689 2.8830 3.4452 3.4607 3.4622 3.4725 3.7982 3.8021 3.8315 3.8321 8.5126 8.5190 8.8958 8.9102 10.9195 11.0541 11.6933 11.7951 k = 0.3300 0.1905-0.0000 ( 4361 PWs) bands (ev): -11.8402 -11.8380 -11.8223 -11.8199 -9.9886 -9.9857 -9.9732 -9.9705 -3.0983 -3.0959 -3.0821 -3.0756 -2.9458 -2.9231 -2.8677 -2.8030 -2.5006 -2.4834 -2.4771 -2.4580 -2.3337 -2.2692 -2.2174 -2.2056 -2.1913 -2.1730 -2.1557 -2.0877 0.3825 0.3955 0.7359 0.7657 1.2513 1.2545 1.7512 1.7610 2.2708 2.2890 2.2915 2.3061 2.6135 2.6162 2.8539 2.8672 3.4484 3.4564 3.4618 3.4682 3.7944 3.8011 3.8241 3.8259 8.5456 8.5515 8.9291 8.9422 10.8745 11.0056 11.6683 11.7606 k = 0.3400 0.1963-0.0000 ( 4361 PWs) bands (ev): -11.8350 -11.8329 -11.8187 -11.8164 -9.9783 -9.9754 -9.9653 -9.9628 -3.0970 -3.0943 -3.0804 -3.0757 -2.9357 -2.9131 -2.8638 -2.7987 -2.5015 -2.4808 -2.4783 -2.4556 -2.3273 -2.2614 -2.2092 -2.1983 -2.1846 -2.1705 -2.1473 -2.0806 0.3672 0.3793 0.7169 0.7442 1.2118 1.2125 1.7347 1.7441 2.2365 2.2577 2.2687 2.2796 2.5950 2.5972 2.8396 2.8520 3.4465 3.4564 3.4568 3.4711 3.7897 3.8002 3.8158 3.8209 8.5720 8.5774 8.9633 8.9750 10.8333 10.9607 11.6387 11.7211 k = 0.3500 0.2021-0.0000 ( 4373 PWs) bands (ev): -11.8301 -11.8280 -11.8152 -11.8130 -9.9683 -9.9656 -9.9577 -9.9552 -3.0959 -3.0931 -3.0790 -3.0760 -2.9260 -2.9032 -2.8602 -2.7951 -2.5023 -2.4792 -2.4789 -2.4537 -2.3203 -2.2532 -2.2020 -2.1917 -2.1778 -2.1672 -2.1389 -2.0738 0.3532 0.3643 0.6957 0.7204 1.1720 1.1736 1.7210 1.7301 2.2047 2.2265 2.2469 2.2566 2.5771 2.5788 2.8258 2.8370 3.4409 3.4500 3.4619 3.4762 3.7840 3.7992 3.8074 3.8168 8.5927 8.5977 8.9973 9.0076 10.7969 10.9202 11.6052 11.6778 k = 0.3600 0.2078-0.0000 ( 4367 PWs) bands (ev): -11.8254 -11.8234 -11.8119 -11.8098 -9.9588 -9.9562 -9.9502 -9.9479 -3.0949 -3.0921 -3.0778 -3.0763 -2.9168 -2.8934 -2.8569 -2.7920 -2.5028 -2.4799 -2.4774 -2.4521 -2.3129 -2.2448 -2.1957 -2.1862 -2.1704 -2.1623 -2.1305 -2.0673 0.3405 0.3507 0.6728 0.6948 1.1332 1.1368 1.7098 1.7184 2.1762 2.1975 2.2262 2.2354 2.5599 2.5612 2.8120 2.8221 3.4352 3.4437 3.4684 3.4822 3.7774 3.7966 3.8006 3.8135 8.6085 8.6131 9.0302 9.0392 10.7657 10.8847 11.5688 11.6318 k = 0.3700 0.2136-0.0000 ( 4367 PWs) bands (ev): -11.8210 -11.8191 -11.8088 -11.8068 -9.9498 -9.9473 -9.9430 -9.9408 -3.0940 -3.0914 -3.0769 -3.0768 -2.9080 -2.8839 -2.8539 -2.7895 -2.5030 -2.4803 -2.4764 -2.4510 -2.3052 -2.2364 -2.1907 -2.1820 -2.1627 -2.1556 -2.1223 -2.0613 0.3291 0.3386 0.6487 0.6681 1.0961 1.1013 1.7003 1.7085 2.1514 2.1718 2.2065 2.2156 2.5436 2.5443 2.7982 2.8070 3.4298 3.4378 3.4758 3.4891 3.7700 3.7887 3.7988 3.8109 8.6204 8.6247 9.0609 9.0686 10.7404 10.8547 11.5301 11.5840 k = 0.3800 0.2194-0.0000 ( 4367 PWs) bands (ev): -11.8168 -11.8150 -11.8059 -11.8040 -9.9413 -9.9390 -9.9360 -9.9339 -3.0933 -3.0908 -3.0773 -3.0762 -2.8999 -2.8748 -2.8512 -2.7875 -2.5030 -2.4803 -2.4758 -2.4501 -2.2973 -2.2281 -2.1875 -2.1784 -2.1547 -2.1477 -2.1143 -2.0558 0.3193 0.3281 0.6238 0.6407 1.0607 1.0673 1.6918 1.6998 2.1308 2.1498 2.1879 2.1972 2.5281 2.5283 2.7841 2.7916 3.4248 3.4323 3.4841 3.4969 3.7620 3.7796 3.7981 3.8087 8.6292 8.6331 9.0887 9.0954 10.7213 10.8306 11.4899 11.5351 k = 0.3900 0.2252-0.0000 ( 4359 PWs) bands (ev): -11.8129 -11.8112 -11.8031 -11.8014 -9.9335 -9.9313 -9.9293 -9.9273 -3.0927 -3.0905 -3.0778 -3.0756 -2.8923 -2.8660 -2.8489 -2.7861 -2.5026 -2.4800 -2.4754 -2.4495 -2.2894 -2.2200 -2.1860 -2.1747 -2.1463 -2.1391 -2.1065 -2.0508 0.3111 0.3193 0.5987 0.6130 1.0272 1.0348 1.6838 1.6915 2.1146 2.1318 2.1706 2.1802 2.5133 2.5135 2.7696 2.7759 3.4202 3.4271 3.4932 3.5056 3.7535 3.7701 3.7976 3.8069 8.6356 8.6391 9.1132 9.1190 10.7085 10.8125 11.4486 11.4856 k = 0.4000 0.2309-0.0000 ( 4365 PWs) bands (ev): -11.8093 -11.8078 -11.8006 -11.7990 -9.9264 -9.9243 -9.9227 -9.9209 -3.0922 -3.0904 -3.0782 -3.0753 -2.8853 -2.8577 -2.8469 -2.7853 -2.5019 -2.4793 -2.4753 -2.4491 -2.2815 -2.2124 -2.1859 -2.1713 -2.1377 -2.1305 -2.0993 -2.0467 0.3045 0.3121 0.5735 0.5856 0.9959 1.0040 1.6759 1.6832 2.1029 2.1177 2.1546 2.1648 2.4993 2.5000 2.7549 2.7600 3.4160 3.4223 3.5031 3.5150 3.7445 3.7603 3.7972 3.8053 8.6400 8.6431 9.1340 9.1391 10.7021 10.8003 11.4068 11.4362 k = 0.4100 0.2367-0.0000 ( 4357 PWs) bands (ev): -11.8060 -11.8046 -11.7983 -11.7968 -9.9200 -9.9182 -9.9164 -9.9147 -3.0919 -3.0903 -3.0786 -3.0752 -2.8790 -2.8498 -2.8453 -2.7849 -2.5009 -2.4782 -2.4754 -2.4491 -2.2737 -2.2052 -2.1865 -2.1681 -2.1287 -2.1219 -2.0925 -2.0431 0.2996 0.3067 0.5489 0.5588 0.9668 0.9753 1.6678 1.6748 2.0953 2.1072 2.1400 2.1513 2.4865 2.4876 2.7400 2.7440 3.4122 3.4180 3.5136 3.5251 3.7351 3.7503 3.7969 3.8040 8.6430 8.6457 9.1513 9.1558 10.7018 10.7940 11.3649 11.3871 k = 0.4200 0.2425-0.0000 ( 4361 PWs) bands (ev): -11.8030 -11.8017 -11.7962 -11.7949 -9.9144 -9.9128 -9.9105 -9.9089 -3.0916 -3.0904 -3.0790 -3.0751 -2.8733 -2.8441 -2.8425 -2.7850 -2.4997 -2.4769 -2.4757 -2.4493 -2.2661 -2.1985 -2.1879 -2.1655 -2.1197 -2.1137 -2.0864 -2.0405 0.2964 0.3030 0.5249 0.5328 0.9403 0.9487 1.6595 1.6662 2.0914 2.0995 2.1271 2.1401 2.4749 2.4764 2.7251 2.7282 3.4088 3.4140 3.5247 3.5358 3.7254 3.7400 3.7967 3.8029 8.6448 8.6472 9.1652 9.1692 10.7073 10.7932 11.3234 11.3387 k = 0.4300 0.2483-0.0000 ( 4357 PWs) bands (ev): -11.8003 -11.7992 -11.7944 -11.7932 -9.9095 -9.9081 -9.9051 -9.9037 -3.0915 -3.0906 -3.0792 -3.0753 -2.8681 -2.8432 -2.8356 -2.7856 -2.4983 -2.4762 -2.4753 -2.4498 -2.2586 -2.1924 -2.1898 -2.1633 -2.1108 -2.1059 -2.0809 -2.0386 0.2950 0.3011 0.5019 0.5080 0.9165 0.9246 1.6512 1.6574 2.0902 2.0938 2.1162 2.1316 2.4645 2.4663 2.7105 2.7127 3.4059 3.4105 3.5362 3.5470 3.7155 3.7294 3.7965 3.8019 8.6459 8.6478 9.1760 9.1796 10.7181 10.7972 11.2825 11.2916 k = 0.4400 0.2540-0.0000 ( 4357 PWs) bands (ev): -11.7980 -11.7970 -11.7927 -11.7917 -9.9052 -9.9040 -9.9002 -9.8990 -3.0915 -3.0908 -3.0793 -3.0755 -2.8635 -2.8426 -2.8292 -2.7866 -2.4966 -2.4769 -2.4734 -2.4505 -2.2514 -2.1921 -2.1867 -2.1618 -2.1021 -2.0988 -2.0760 -2.0377 0.2952 0.3008 0.4803 0.4847 0.8956 0.9031 1.6431 1.6488 2.0888 2.0897 2.1085 2.1263 2.4555 2.4575 2.6966 2.6980 3.4034 3.4073 3.5479 3.5585 3.7055 3.7187 3.7965 3.8010 8.6464 8.6480 9.1841 9.1873 10.7335 10.8055 11.2427 11.2460 k = 0.4500 0.2598-0.0000 ( 4351 PWs) bands (ev): -11.7959 -11.7951 -11.7914 -11.7905 -9.9016 -9.9005 -9.8960 -9.8950 -3.0915 -3.0910 -3.0793 -3.0758 -2.8594 -2.8423 -2.8233 -2.7880 -2.4947 -2.4778 -2.4714 -2.4515 -2.2445 -2.1948 -2.1816 -2.1607 -2.0938 -2.0923 -2.0718 -2.0377 0.2969 0.3020 0.4602 0.4632 0.8778 0.8844 1.6357 1.6407 2.0839 2.0870 2.1065 2.1240 2.4480 2.4499 2.6836 2.6845 3.4013 3.4046 3.5598 3.5701 3.6953 3.7079 3.7965 3.8002 8.6465 8.6478 9.1901 9.1929 10.7527 10.8171 11.2027 11.2046 k = 0.4600 0.2656-0.0000 ( 4353 PWs) bands (ev): -11.7942 -11.7936 -11.7902 -11.7895 -9.8985 -9.8977 -9.8925 -9.8917 -3.0916 -3.0912 -3.0792 -3.0762 -2.8559 -2.8424 -2.8179 -2.7898 -2.4928 -2.4789 -2.4692 -2.4528 -2.2379 -2.1980 -2.1771 -2.1603 -2.0867 -2.0863 -2.0681 -2.0387 0.3000 0.3045 0.4420 0.4439 0.8632 0.8688 1.6292 1.6334 2.0793 2.0821 2.1093 2.1239 2.4418 2.4437 2.6720 2.6726 3.3997 3.4024 3.5716 3.5814 3.6853 3.6971 3.7965 3.7995 8.6464 8.6474 9.1943 9.1966 10.7747 10.8307 11.1626 11.1687 k = 0.4700 0.2714-0.0000 ( 4348 PWs) bands (ev): -11.7929 -11.7924 -11.7893 -11.7888 -9.8961 -9.8955 -9.8898 -9.8891 -3.0916 -3.0914 -3.0790 -3.0766 -2.8527 -2.8428 -2.8130 -2.7920 -2.4908 -2.4801 -2.4669 -2.4543 -2.2315 -2.2016 -2.1731 -2.1605 -2.0819 -2.0801 -2.0645 -2.0406 0.3040 0.3078 0.4263 0.4272 0.8519 0.8562 1.6240 1.6272 2.0752 2.0772 2.1137 2.1248 2.4371 2.4387 2.6624 2.6627 3.3985 3.4005 3.5830 3.5921 3.6758 3.6864 3.7966 3.7988 8.6462 8.6469 9.1972 9.1990 10.7984 10.8445 11.1272 11.1360 k = 0.4800 0.2771-0.0000 ( 4346 PWs) bands (ev): -11.7918 -11.7915 -11.7887 -11.7883 -9.8944 -9.8939 -9.8878 -9.8873 -3.0917 -3.0915 -3.0787 -3.0771 -2.8501 -2.8436 -2.8085 -2.7945 -2.4887 -2.4815 -2.4646 -2.4561 -2.2255 -2.2056 -2.1696 -2.1612 -2.0781 -2.0759 -2.0605 -2.0434 0.3084 0.3112 0.4137 0.4140 0.8440 0.8469 1.6202 1.6224 2.0721 2.0734 2.1183 2.1257 2.4339 2.4351 2.6552 2.6553 3.3978 3.3991 3.5936 3.6012 3.6677 3.6764 3.7968 3.7983 8.6461 8.6465 9.1991 9.2003 10.8218 10.8558 11.0989 11.1081 k = 0.4900 0.2829-0.0000 ( 4338 PWs) bands (ev): -11.7912 -11.7910 -11.7883 -11.7881 -9.8933 -9.8931 -9.8865 -9.8863 -3.0917 -3.0916 -3.0783 -3.0775 -2.8478 -2.8446 -2.8044 -2.7974 -2.4868 -2.4831 -2.4622 -2.4579 -2.2199 -2.2100 -2.1667 -2.1624 -2.0753 -2.0739 -2.0559 -2.0470 0.3122 0.3137 0.4053 0.4053 0.8395 0.8410 1.6181 1.6193 2.0703 2.0709 2.1220 2.1257 2.4321 2.4328 2.6506 2.6507 3.3974 3.3981 3.6023 3.6071 3.6626 3.6679 3.7971 3.7978 8.6460 8.6462 9.2002 9.2009 10.8424 10.8609 11.0812 11.0874 k = 0.5000 0.2887-0.0000 ( 4338 PWs) bands (ev): -11.7909 -11.7909 -11.7881 -11.7881 -9.8928 -9.8928 -9.8860 -9.8860 -3.0917 -3.0917 -3.0779 -3.0779 -2.8460 -2.8460 -2.8007 -2.8007 -2.4849 -2.4849 -2.4600 -2.4600 -2.2148 -2.2148 -2.1643 -2.1643 -2.0738 -2.0738 -2.0513 -2.0513 0.3142 0.3142 0.4022 0.4022 0.8386 0.8386 1.6178 1.6178 2.0699 2.0699 2.1246 2.1246 2.4318 2.4318 2.6491 2.6491 3.3975 3.3975 3.6075 3.6075 3.6627 3.6627 3.7974 3.7974 8.6460 8.6460 9.2008 9.2008 10.8564 10.8564 11.0774 11.0774 k = 0.5000 0.2887-0.0000 ( 4338 PWs) bands (ev): -11.7909 -11.7909 -11.7881 -11.7881 -9.8928 -9.8928 -9.8860 -9.8860 -3.0917 -3.0917 -3.0779 -3.0779 -2.8460 -2.8460 -2.8007 -2.8007 -2.4849 -2.4849 -2.4600 -2.4600 -2.2148 -2.2148 -2.1643 -2.1643 -2.0738 -2.0738 -2.0513 -2.0513 0.3142 0.3142 0.4022 0.4022 0.8386 0.8386 1.6178 1.6178 2.0699 2.0699 2.1246 2.1246 2.4318 2.4318 2.6491 2.6491 3.3975 3.3975 3.6075 3.6075 3.6627 3.6627 3.7974 3.7974 8.6460 8.6460 9.2008 9.2008 10.8564 10.8564 11.0774 11.0774 k = 0.4943 0.2986-0.0000 ( 4340 PWs) bands (ev): -11.7909 -11.7909 -11.7881 -11.7880 -9.8927 -9.8927 -9.8859 -9.8859 -3.0948 -3.0881 -3.0793 -3.0759 -2.8477 -2.8445 -2.8021 -2.7996 -2.4894 -2.4797 -2.4635 -2.4560 -2.2174 -2.2124 -2.1663 -2.1625 -2.0790 -2.0691 -2.0553 -2.0476 0.3145 0.3148 0.4019 0.4031 0.8388 0.8398 1.6179 1.6181 2.0672 2.0692 2.1181 2.1261 2.4253 2.4370 2.6484 2.6512 3.3957 3.3976 3.6086 3.6091 3.6589 3.6636 3.7930 3.7991 8.6477 8.6483 9.2017 9.2021 10.8596 10.8600 11.0789 11.0807 k = 0.4885 0.3086-0.0000 ( 4342 PWs) bands (ev): -11.7908 -11.7907 -11.7879 -11.7878 -9.8924 -9.8923 -9.8856 -9.8855 -3.0972 -3.0843 -3.0799 -3.0735 -2.8495 -2.8432 -2.8037 -2.7987 -2.4931 -2.4739 -2.4662 -2.4513 -2.2201 -2.2103 -2.1686 -2.1610 -2.0845 -2.0647 -2.0596 -2.0442 0.3159 0.3165 0.4022 0.4046 0.8406 0.8425 1.6184 1.6187 2.0613 2.0647 2.1073 2.1224 2.4177 2.4405 2.6491 2.6547 3.3921 3.3958 3.6121 3.6133 3.6526 3.6615 3.7862 3.7982 8.6534 8.6546 9.2046 9.2055 10.8694 10.8703 11.0851 11.0886 k = 0.4828 0.3185-0.0000 ( 4344 PWs) bands (ev): -11.7907 -11.7905 -11.7877 -11.7876 -9.8919 -9.8917 -9.8851 -9.8849 -3.0991 -3.0822 -3.0777 -3.0705 -2.8515 -2.8419 -2.8055 -2.7980 -2.4961 -2.4692 -2.4663 -2.4461 -2.2230 -2.2083 -2.1711 -2.1598 -2.0904 -2.0643 -2.0607 -2.0412 0.3184 0.3191 0.4032 0.4067 0.8439 0.8468 1.6192 1.6197 2.0526 2.0561 2.0933 2.1133 2.4094 2.4421 2.6511 2.6594 3.3874 3.3927 3.6170 3.6199 3.6443 3.6560 3.7772 3.7947 8.6629 8.6648 9.2097 9.2110 10.8858 10.8873 11.0959 11.1012 k = 0.4770 0.3285-0.0000 ( 4348 PWs) bands (ev): -11.7904 -11.7902 -11.7874 -11.7872 -9.8911 -9.8908 -9.8843 -9.8840 -3.1004 -3.0816 -3.0728 -3.0672 -2.8537 -2.8408 -2.8076 -2.7974 -2.4983 -2.4703 -2.4595 -2.4403 -2.2261 -2.2067 -2.1739 -2.1589 -2.0965 -2.0692 -2.0572 -2.0385 0.3218 0.3228 0.4047 0.4094 0.8487 0.8525 1.6203 1.6210 2.0412 2.0424 2.0774 2.0990 2.4001 2.4413 2.6543 2.6651 3.3819 3.3886 3.6187 3.6284 3.6379 3.6466 3.7669 3.7890 8.6763 8.6788 9.2166 9.2183 10.9088 10.9107 11.1112 11.1182 k = 0.4713 0.3384-0.0000 ( 4350 PWs) bands (ev): -11.7901 -11.7899 -11.7870 -11.7868 -9.8901 -9.8898 -9.8833 -9.8830 -3.1011 -3.0809 -3.0671 -3.0635 -2.8562 -2.8397 -2.8099 -2.7970 -2.4998 -2.4711 -2.4515 -2.4340 -2.2294 -2.2053 -2.1768 -2.1582 -2.1029 -2.0743 -2.0541 -2.0361 0.3261 0.3275 0.4068 0.4126 0.8550 0.8596 1.6215 1.6225 2.0232 2.0274 2.0610 2.0799 2.3900 2.4380 2.6586 2.6716 3.3764 3.3841 3.6083 3.6327 3.6384 3.6417 3.7560 3.7815 8.6934 8.6965 9.2252 9.2274 10.9380 10.9405 11.1306 11.1394 k = 0.4655 0.3484-0.0000 ( 4354 PWs) bands (ev): -11.7897 -11.7894 -11.7865 -11.7862 -9.8889 -9.8885 -9.8821 -9.8817 -3.1011 -3.0797 -3.0608 -3.0594 -2.8589 -2.8386 -2.8125 -2.7967 -2.5006 -2.4714 -2.4429 -2.4271 -2.2327 -2.2041 -2.1799 -2.1579 -2.1095 -2.0796 -2.0514 -2.0341 0.3315 0.3330 0.4094 0.4164 0.8627 0.8681 1.6227 1.6241 1.9986 2.0114 2.0444 2.0566 2.3788 2.4320 2.6637 2.6788 3.3713 3.3796 3.5904 3.6143 3.6490 3.6507 3.7450 3.7725 8.7140 8.7176 9.2354 9.2379 10.9732 10.9764 11.1539 11.1645 k = 0.4598 0.3584-0.0000 ( 4356 PWs) bands (ev): -11.7893 -11.7890 -11.7860 -11.7856 -9.8875 -9.8871 -9.8807 -9.8803 -3.1005 -3.0779 -3.0551 -3.0542 -2.8618 -2.8376 -2.8153 -2.7966 -2.5006 -2.4710 -2.4337 -2.4198 -2.2361 -2.2033 -2.1832 -2.1579 -2.1162 -2.0851 -2.0491 -2.0324 0.3377 0.3395 0.4126 0.4205 0.8718 0.8780 1.6238 1.6256 1.9699 1.9933 2.0274 2.0300 2.3666 2.4233 2.6694 2.6862 3.3669 3.3757 3.5682 3.5911 3.6600 3.6610 3.7344 3.7624 8.7378 8.7420 9.2467 9.2496 11.0142 11.0182 11.1807 11.1932 k = 0.4540 0.3683-0.0000 ( 4356 PWs) bands (ev): -11.7887 -11.7884 -11.7853 -11.7850 -9.8859 -9.8854 -9.8791 -9.8786 -3.0993 -3.0756 -3.0505 -3.0471 -2.8649 -2.8366 -2.8184 -2.7965 -2.5000 -2.4699 -2.4240 -2.4121 -2.2395 -2.2028 -2.1867 -2.1581 -2.1230 -2.0907 -2.0473 -2.0310 0.3448 0.3469 0.4162 0.4251 0.8822 0.8891 1.6245 1.6269 1.9380 1.9727 2.0016 2.0097 2.3533 2.4122 2.6754 2.6937 3.3636 3.3725 3.5426 3.5634 3.6712 3.6719 3.7243 3.7514 8.7647 8.7693 9.2591 9.2623 11.0604 11.0655 11.2106 11.2251 k = 0.4483 0.3783-0.0000 ( 4368 PWs) bands (ev): -11.7882 -11.7878 -11.7846 -11.7842 -9.8841 -9.8836 -9.8773 -9.8769 -3.0976 -3.0728 -3.0457 -3.0398 -2.8685 -2.8359 -2.8216 -2.7966 -2.4986 -2.4682 -2.4138 -2.4039 -2.2431 -2.2028 -2.1903 -2.1587 -2.1298 -2.0965 -2.0460 -2.0299 0.3527 0.3550 0.4203 0.4301 0.8940 0.9015 1.6245 1.6278 1.9038 1.9477 1.9738 1.9913 2.3391 2.3989 2.6814 2.7010 3.3615 3.3702 3.5139 3.5320 3.6817 3.6829 3.7149 3.7398 8.7942 8.7994 9.2722 9.2756 11.1115 11.1178 11.2433 11.2598 k = 0.4425 0.3882-0.0000 ( 4368 PWs) bands (ev): -11.7875 -11.7872 -11.7838 -11.7835 -9.8821 -9.8816 -9.8754 -9.8749 -3.0952 -3.0694 -3.0408 -3.0322 -2.8721 -2.8354 -2.8248 -2.7968 -2.4967 -2.4660 -2.4032 -2.3954 -2.2464 -2.2031 -2.1940 -2.1596 -2.1365 -2.1024 -2.0450 -2.0292 0.3614 0.3639 0.4248 0.4354 0.9070 0.9151 1.6237 1.6278 1.8677 1.9167 1.9493 1.9723 2.3242 2.3839 2.6870 2.7079 3.3608 3.3691 3.4827 3.4974 3.6895 3.6937 3.7080 3.7278 8.8263 8.8318 9.2856 9.2894 11.1668 11.1749 11.2783 11.2973 k = 0.4368 0.3982-0.0000 ( 4358 PWs) bands (ev): -11.7868 -11.7865 -11.7830 -11.7826 -9.8800 -9.8795 -9.8734 -9.8728 -3.0922 -3.0654 -3.0357 -3.0243 -2.8760 -2.8357 -2.8273 -2.7970 -2.4940 -2.4631 -2.3922 -2.3865 -2.2497 -2.2040 -2.1976 -2.1607 -2.1429 -2.1082 -2.0444 -2.0286 0.3707 0.3735 0.4296 0.4410 0.9212 0.9297 1.6217 1.6268 1.8305 1.8812 1.9275 1.9531 2.3090 2.3676 2.6921 2.7140 3.3613 3.3690 3.4495 3.4606 3.6877 3.7040 3.7101 3.7154 8.8604 8.8663 9.2992 9.3032 11.2253 11.2360 11.3152 11.3375 k = 0.4310 0.4081-0.0000 ( 4370 PWs) bands (ev): -11.7861 -11.7857 -11.7821 -11.7818 -9.8778 -9.8772 -9.8712 -9.8707 -3.0888 -3.0611 -3.0307 -3.0164 -2.8802 -2.8380 -2.8283 -2.7974 -2.4908 -2.4597 -2.3810 -2.3775 -2.2530 -2.2059 -2.2009 -2.1623 -2.1491 -2.1142 -2.0442 -2.0284 0.3806 0.3836 0.4348 0.4467 0.9365 0.9453 1.6180 1.6241 1.7925 1.8431 1.9072 1.9338 2.2941 2.3506 2.6960 2.7189 3.3628 3.3701 3.4151 3.4223 3.6788 3.7019 3.7147 3.7185 8.8962 8.9025 9.3127 9.3169 11.2857 11.3002 11.3542 11.3808 k = 0.4253 0.4181-0.0000 ( 4368 PWs) bands (ev): -11.7853 -11.7849 -11.7812 -11.7808 -9.8755 -9.8749 -9.8690 -9.8684 -3.0847 -3.0562 -3.0257 -3.0083 -2.8846 -2.8419 -2.8278 -2.7979 -2.4870 -2.4558 -2.3696 -2.3684 -2.2560 -2.2090 -2.2035 -2.1643 -2.1548 -2.1200 -2.0443 -2.0285 0.3910 0.3942 0.4402 0.4527 0.9528 0.9619 1.6124 1.6194 1.7545 1.8038 1.8878 1.9148 2.2799 2.3338 2.6986 2.7223 3.3641 3.3719 3.3814 3.3836 3.6682 3.6887 3.7242 3.7277 8.9335 8.9400 9.3258 9.3301 11.3456 11.3649 11.3966 11.4287 k = 0.4195 0.4280-0.0000 ( 4368 PWs) bands (ev): -11.7845 -11.7841 -11.7803 -11.7799 -9.8730 -9.8724 -9.8667 -9.8661 -3.0802 -3.0508 -3.0208 -3.0002 -2.8893 -2.8465 -2.8267 -2.7985 -2.4827 -2.4515 -2.3592 -2.3581 -2.2586 -2.2131 -2.2057 -2.1666 -2.1601 -2.1258 -2.0447 -2.0288 0.4017 0.4051 0.4459 0.4588 0.9700 0.9793 1.6043 1.6116 1.7172 1.7640 1.8695 1.8964 2.2670 2.3177 2.6993 2.7236 3.3424 3.3442 3.3720 3.3756 3.6567 3.6749 3.7333 3.7366 8.9717 8.9785 9.3384 9.3428 11.4016 11.4201 11.4519 11.4835 k = 0.4138 0.4380-0.0000 ( 4362 PWs) bands (ev): -11.7837 -11.7833 -11.7794 -11.7790 -9.8705 -9.8699 -9.8643 -9.8637 -3.0753 -3.0450 -3.0160 -2.9922 -2.8941 -2.8516 -2.8254 -2.7992 -2.4779 -2.4468 -2.3500 -2.3468 -2.2609 -2.2175 -2.2080 -2.1694 -2.1648 -2.1314 -2.0453 -2.0292 0.4127 0.4161 0.4519 0.4650 0.9881 0.9974 1.5935 1.5997 1.6818 1.7244 1.8524 1.8787 2.2561 2.3031 2.6975 2.7223 3.3066 3.3087 3.3763 3.3795 3.6445 3.6608 3.7419 3.7451 9.0105 9.0175 9.3501 9.3546 11.4519 11.4633 11.5213 11.5463 k = 0.4080 0.4479-0.0000 ( 4366 PWs) bands (ev): -11.7828 -11.7825 -11.7784 -11.7781 -9.8680 -9.8674 -9.8620 -9.8614 -3.0700 -3.0388 -3.0114 -2.9844 -2.8992 -2.8571 -2.8239 -2.8000 -2.4726 -2.4418 -2.3410 -2.3356 -2.2626 -2.2222 -2.2104 -2.1726 -2.1690 -2.1369 -2.0461 -2.0299 0.4235 0.4272 0.4582 0.4713 1.0070 1.0161 1.5795 1.5821 1.6502 1.6854 1.8366 1.8621 2.2475 2.2906 2.6929 2.7179 3.2711 3.2763 3.3819 3.3843 3.6317 3.6463 3.7499 3.7530 9.0495 9.0566 9.3610 9.3655 11.4969 11.5031 11.5952 11.6155 k = 0.4023 0.4579-0.0000 ( 4364 PWs) bands (ev): -11.7820 -11.7817 -11.7775 -11.7771 -9.8654 -9.8649 -9.8596 -9.8590 -3.0642 -3.0322 -3.0071 -2.9768 -2.9045 -2.8629 -2.8224 -2.8009 -2.4670 -2.4366 -2.3323 -2.3249 -2.2636 -2.2269 -2.2128 -2.1762 -2.1727 -2.1421 -2.0470 -2.0308 0.4341 0.4379 0.4648 0.4779 1.0265 1.0354 1.5579 1.5623 1.6233 1.6477 1.8223 1.8467 2.2417 2.2807 2.6848 2.7096 3.2388 3.2465 3.3884 3.3897 3.6185 3.6314 3.7572 3.7603 9.0883 9.0954 9.3708 9.3754 11.5383 11.5416 11.6708 11.6888 k = 0.3966 0.4679-0.0000 ( 4368 PWs) bands (ev): -11.7812 -11.7808 -11.7766 -11.7762 -9.8629 -9.8624 -9.8573 -9.8567 -3.0581 -3.0254 -3.0030 -2.9695 -2.9099 -2.8689 -2.8208 -2.8020 -2.4611 -2.4314 -2.3243 -2.3150 -2.2635 -2.2314 -2.2153 -2.1803 -2.1761 -2.1473 -2.0480 -2.0319 0.4440 0.4481 0.4720 0.4846 1.0466 1.0550 1.5286 1.5416 1.5999 1.6118 1.8097 1.8327 2.2390 2.2740 2.6729 2.6969 3.2104 3.2199 3.3954 3.3957 3.6048 3.6163 3.7640 3.7669 9.1264 9.1335 9.3794 9.3840 11.5770 11.5789 11.7470 11.7644 k = 0.3908 0.4778-0.0000 ( 4364 PWs) bands (ev): -11.7803 -11.7800 -11.7757 -11.7753 -9.8604 -9.8599 -9.8550 -9.8545 -3.0517 -3.0182 -2.9993 -2.9625 -2.9155 -2.8750 -2.8193 -2.8030 -2.4548 -2.4263 -2.3170 -2.3061 -2.2620 -2.2355 -2.2178 -2.1847 -2.1790 -2.1522 -2.0489 -2.0331 0.4530 0.4574 0.4797 0.4917 1.0672 1.0750 1.4970 1.5179 1.5776 1.5779 1.7988 1.8203 2.2394 2.2705 2.6570 2.6797 3.1866 3.1973 3.4021 3.4028 3.5907 3.6011 3.7701 3.7730 9.1634 9.1705 9.3868 9.3914 11.6135 11.6148 11.8230 11.8410 k = 0.3851 0.4878-0.0000 ( 4368 PWs) bands (ev): -11.7795 -11.7793 -11.7748 -11.7745 -9.8580 -9.8575 -9.8529 -9.8524 -3.0450 -3.0109 -2.9960 -2.9561 -2.9213 -2.8814 -2.8178 -2.8042 -2.4485 -2.4215 -2.3109 -2.2986 -2.2589 -2.2388 -2.2201 -2.1894 -2.1817 -2.1570 -2.0498 -2.0343 0.4608 0.4657 0.4880 0.4990 1.0881 1.0952 1.4653 1.4921 1.5460 1.5551 1.7898 1.8096 2.2429 2.2704 2.6370 2.6578 3.1677 3.1789 3.4088 3.4105 3.5764 3.5857 3.7757 3.7783 9.1990 9.2059 9.3930 9.3975 11.6477 11.6489 11.8980 11.9178 k = 0.3793 0.4977-0.0000 ( 4366 PWs) bands (ev): -11.7788 -11.7785 -11.7740 -11.7737 -9.8557 -9.8553 -9.8508 -9.8504 -3.0381 -3.0033 -2.9930 -2.9502 -2.9270 -2.8878 -2.8163 -2.8053 -2.4420 -2.4170 -2.3063 -2.2924 -2.2542 -2.2409 -2.2221 -2.1944 -2.1842 -2.1617 -2.0505 -2.0357 0.4676 0.4728 0.4964 0.5064 1.1093 1.1155 1.4347 1.4654 1.5156 1.5316 1.7827 1.8006 2.2494 2.2737 2.6134 2.6317 3.1537 3.1646 3.4156 3.4184 3.5620 3.5705 3.7806 3.7831 9.2326 9.2393 9.3979 9.4023 11.6796 11.6811 11.9714 11.9942 k = 0.3736 0.5077-0.0000 ( 4354 PWs) bands (ev): -11.7781 -11.7778 -11.7732 -11.7730 -9.8535 -9.8531 -9.8489 -9.8485 -3.0310 -2.9955 -2.9904 -2.9452 -2.9326 -2.8944 -2.8148 -2.8063 -2.4356 -2.4129 -2.3033 -2.2870 -2.2482 -2.2419 -2.2236 -2.1996 -2.1865 -2.1663 -2.0509 -2.0370 0.4735 0.4789 0.5048 0.5137 1.1307 1.1358 1.4062 1.4392 1.4863 1.5073 1.7774 1.7933 2.2586 2.2802 2.5869 2.6023 3.1440 3.1542 3.4226 3.4264 3.5477 3.5554 3.7849 3.7872 9.2639 9.2704 9.4015 9.4058 11.7088 11.7108 12.0421 12.0694 k = 0.3678 0.5176-0.0000 ( 4362 PWs) bands (ev): -11.7774 -11.7772 -11.7725 -11.7723 -9.8514 -9.8512 -9.8472 -9.8469 -3.0238 -2.9883 -2.9879 -2.9428 -2.9365 -2.9011 -2.8137 -2.8074 -2.4295 -2.4096 -2.3022 -2.2821 -2.2420 -2.2416 -2.2246 -2.2049 -2.1887 -2.1710 -2.0512 -2.0385 0.4787 0.4840 0.5124 0.5203 1.1521 1.1560 1.3800 1.4143 1.4581 1.4826 1.7739 1.7877 2.2704 2.2895 2.5581 2.5703 3.1380 3.1471 3.4295 3.4343 3.5337 3.5408 3.7887 3.7907 9.2925 9.2987 9.4039 9.4080 11.7351 11.7376 12.1089 12.1429 k = 0.3621 0.5276-0.0000 ( 4362 PWs) bands (ev): -11.7768 -11.7766 -11.7719 -11.7717 -9.8496 -9.8495 -9.8457 -9.8454 -3.0165 -2.9867 -2.9802 -2.9464 -2.9350 -2.9078 -2.8126 -2.8083 -2.4236 -2.4070 -2.3023 -2.2770 -2.2418 -2.2351 -2.2245 -2.2101 -2.1907 -2.1757 -2.0511 -2.0399 0.4832 0.4885 0.5191 0.5259 1.1735 1.1761 1.3567 1.3911 1.4316 1.4580 1.7719 1.7836 2.2845 2.3016 2.5281 2.5371 3.1349 3.1426 3.4363 3.4421 3.5202 3.5269 3.7918 3.7936 9.3180 9.3239 9.4051 9.4090 11.7579 11.7608 12.1701 12.2140 k = 0.3563 0.5375-0.0000 ( 4358 PWs) bands (ev): -11.7763 -11.7762 -11.7714 -11.7712 -9.8480 -9.8480 -9.8444 -9.8442 -3.0092 -2.9854 -2.9728 -2.9517 -2.9323 -2.9145 -2.8116 -2.8090 -2.4182 -2.4052 -2.3033 -2.2714 -2.2419 -2.2294 -2.2232 -2.2150 -2.1925 -2.1805 -2.0507 -2.0412 0.4873 0.4923 0.5245 0.5302 1.1947 1.1958 1.3362 1.3690 1.4082 1.4345 1.7713 1.7808 2.3005 2.3160 2.4978 2.5035 3.1340 3.1402 3.4428 3.4498 3.5076 3.5138 3.7944 3.7959 9.3402 9.3457 9.4052 9.4088 11.7769 11.7799 12.2230 12.2820 k = 0.3506 0.5475-0.0000 ( 4360 PWs) bands (ev): -11.7759 -11.7758 -11.7710 -11.7708 -9.8467 -9.8467 -9.8433 -9.8432 -3.0019 -2.9846 -2.9672 -2.9556 -2.9303 -2.9211 -2.8109 -2.8096 -2.4135 -2.4042 -2.3046 -2.2654 -2.2426 -2.2265 -2.2209 -2.2178 -2.1941 -2.1851 -2.0500 -2.0426 0.4908 0.4956 0.5285 0.5329 1.2152 1.2156 1.3184 1.3469 1.3899 1.4129 1.7718 1.7789 2.3182 2.3325 2.4683 2.4708 3.1344 3.1391 3.4489 3.4571 3.4963 3.5019 3.7965 3.7976 9.3586 9.3638 9.4043 9.4075 11.7917 11.7943 12.2640 12.3457 k = 0.3448 0.5574-0.0000 ( 4368 PWs) bands (ev): -11.7756 -11.7755 -11.7706 -11.7705 -9.8458 -9.8458 -9.8426 -9.8425 -2.9950 -2.9842 -2.9680 -2.9533 -2.9290 -2.9277 -2.8104 -2.8101 -2.4098 -2.4039 -2.3059 -2.2588 -2.2440 -2.2292 -2.2183 -2.2161 -2.1954 -2.1895 -2.0491 -2.0440 0.4937 0.4983 0.5311 0.5342 1.2339 1.2361 1.3029 1.3240 1.3782 1.3947 1.7730 1.7778 2.3370 2.3508 2.4400 2.4404 3.1356 3.1387 3.4542 3.4640 3.4868 3.4916 3.7979 3.7988 9.3729 9.3781 9.4027 9.4053 11.8019 11.8039 12.2909 12.4025 k = 0.3391 0.5674-0.0000 ( 4364 PWs) bands (ev): -11.7754 -11.7753 -11.7704 -11.7704 -9.8453 -9.8452 -9.8421 -9.8421 -2.9889 -2.9833 -2.9731 -2.9470 -2.9342 -2.9285 -2.8102 -2.8101 -2.4070 -2.4043 -2.3067 -2.2523 -2.2456 -2.2336 -2.2159 -2.2138 -2.1962 -2.1927 -2.0479 -2.0453 0.4958 0.5003 0.5325 0.5341 1.2513 1.2559 1.2893 1.3009 1.3732 1.3814 1.7745 1.7769 2.3560 2.3704 2.4130 2.4151 3.1370 3.1385 3.4580 3.4705 3.4801 3.4830 3.7989 3.7993 9.3823 9.3879 9.4011 9.4025 11.8079 11.8088 12.3051 12.4457 k = 0.3333 0.5774-0.0000 ( 4350 PWs) bands (ev): -11.7753 -11.7753 -11.7703 -11.7703 -9.8451 -9.8449 -9.8419 -9.8419 -2.9868 -2.9789 -2.9789 -2.9404 -2.9404 -2.9284 -2.8100 -2.8100 -2.4052 -2.4052 -2.3069 -2.2475 -2.2475 -2.2361 -2.2139 -2.2139 -2.1963 -2.1939 -2.0465 -2.0465 0.4966 0.5011 0.5334 0.5334 1.2615 1.2708 1.2827 1.2827 1.3742 1.3742 1.7759 1.7759 2.3678 2.3869 2.3975 2.3975 3.1380 3.1380 3.4594 3.4757 3.4774 3.4774 3.7994 3.7994 9.3855 9.3918 9.4007 9.4007 11.8100 11.8100 12.3097 12.4594 k = 0.3333 0.5774-0.0000 ( 4350 PWs) bands (ev): -11.7753 -11.7753 -11.7703 -11.7703 -9.8451 -9.8449 -9.8419 -9.8419 -2.9868 -2.9789 -2.9789 -2.9404 -2.9404 -2.9284 -2.8100 -2.8100 -2.4052 -2.4052 -2.3069 -2.2475 -2.2475 -2.2361 -2.2139 -2.2139 -2.1963 -2.1939 -2.0465 -2.0465 0.4966 0.5011 0.5334 0.5334 1.2615 1.2708 1.2827 1.2827 1.3742 1.3742 1.7759 1.7759 2.3678 2.3869 2.3975 2.3975 3.1380 3.1380 3.4594 3.4757 3.4774 3.4774 3.7994 3.7994 9.3855 9.3918 9.4007 9.4007 11.8100 11.8100 12.3097 12.4594 k = 0.3276 0.5674-0.0000 ( 4362 PWs) bands (ev): -11.7754 -11.7753 -11.7704 -11.7704 -9.8453 -9.8452 -9.8421 -9.8421 -2.9876 -2.9850 -2.9727 -2.9465 -2.9356 -2.9277 -2.8104 -2.8098 -2.4066 -2.4046 -2.3067 -2.2497 -2.2490 -2.2328 -2.2168 -2.2126 -2.1961 -2.1930 -2.0479 -2.0453 0.4956 0.5000 0.5329 0.5344 1.2529 1.2546 1.2940 1.2962 1.3737 1.3807 1.7744 1.7768 2.3567 2.3727 2.4098 2.4155 3.1369 3.1383 3.4587 3.4723 3.4786 3.4821 3.7989 3.7994 9.3832 9.3889 9.4008 9.4010 11.8084 11.8091 12.3039 12.4514 k = 0.3218 0.5574-0.0000 ( 4372 PWs) bands (ev): -11.7756 -11.7755 -11.7707 -11.7706 -9.8459 -9.8458 -9.8427 -9.8426 -2.9910 -2.9892 -2.9668 -2.9518 -2.9351 -2.9235 -2.8110 -2.8096 -2.4085 -2.4050 -2.3062 -2.2539 -2.2519 -2.2269 -2.2208 -2.2120 -2.1955 -2.1906 -2.0493 -2.0442 0.4924 0.4964 0.5337 0.5363 1.2349 1.2390 1.3103 1.3142 1.3797 1.3922 1.7720 1.7768 2.3415 2.3588 2.4316 2.4385 3.1351 3.1377 3.4584 3.4707 3.4813 3.4869 3.7979 3.7989 9.3779 9.3830 9.3991 9.3993 11.8053 11.8062 12.2837 12.4230 k = 0.3161 0.5475-0.0000 ( 4368 PWs) bands (ev): -11.7760 -11.7759 -11.7710 -11.7709 -9.8470 -9.8469 -9.8436 -9.8434 -2.9969 -2.9912 -2.9638 -2.9541 -2.9372 -2.9176 -2.8119 -2.8091 -2.4105 -2.4063 -2.3055 -2.2595 -2.2543 -2.2282 -2.2181 -2.2116 -2.1947 -2.1873 -2.0506 -2.0434 0.4869 0.4904 0.5361 0.5395 1.2170 1.2251 1.3269 1.3321 1.3914 1.4082 1.7686 1.7756 2.3299 2.3492 2.4553 2.4626 3.1324 3.1361 3.4599 3.4716 3.4842 3.4910 3.7965 3.7980 9.3711 9.3758 9.3942 9.3948 11.8019 11.8024 12.2488 12.3792 k = 0.3103 0.5375-0.0000 ( 4366 PWs) bands (ev): -11.7766 -11.7764 -11.7716 -11.7714 -9.8485 -9.8484 -9.8450 -9.8447 -3.0027 -2.9937 -2.9667 -2.9505 -2.9403 -2.9117 -2.8130 -2.8086 -2.4128 -2.4082 -2.3051 -2.2653 -2.2566 -2.2340 -2.2122 -2.2113 -2.1938 -2.1833 -2.0522 -2.0429 0.4796 0.4824 0.5399 0.5439 1.2014 1.2124 1.3432 1.3495 1.4083 1.4282 1.7641 1.7732 2.3231 2.3444 2.4800 2.4874 3.1290 3.1335 3.4636 3.4750 3.4869 3.4943 3.7947 3.7967 9.3629 9.3675 9.3861 9.3871 11.7986 11.7992 12.2039 12.3290 k = 0.3046 0.5276-0.0000 ( 4366 PWs) bands (ev): -11.7773 -11.7770 -11.7723 -11.7720 -9.8506 -9.8503 -9.8468 -9.8464 -3.0084 -2.9967 -2.9715 -2.9451 -2.9441 -2.9060 -2.8145 -2.8082 -2.4153 -2.4108 -2.3052 -2.2713 -2.2592 -2.2404 -2.2108 -2.2072 -2.1929 -2.1784 -2.0539 -2.0429 0.4710 0.4733 0.5449 0.5494 1.1882 1.2013 1.3590 1.3665 1.4297 1.4518 1.7587 1.7696 2.3212 2.3443 2.5051 2.5126 3.1251 3.1302 3.4693 3.4807 3.4891 3.4969 3.7925 3.7950 9.3535 9.3581 9.3751 9.3765 11.7956 11.7977 12.1537 12.2764 k = 0.2989 0.5176-0.0000 ( 4366 PWs) bands (ev): -11.7782 -11.7779 -11.7732 -11.7728 -9.8530 -9.8527 -9.8491 -9.8485 -3.0139 -3.0000 -2.9764 -2.9483 -2.9396 -2.9009 -2.8163 -2.8077 -2.4179 -2.4137 -2.3059 -2.2774 -2.2619 -2.2470 -2.2100 -2.2038 -2.1923 -2.1724 -2.0560 -2.0435 0.4616 0.4635 0.5509 0.5559 1.1776 1.1925 1.3741 1.3827 1.4550 1.4787 1.7525 1.7650 2.3241 2.3487 2.5306 2.5383 3.1209 3.1265 3.4765 3.4884 3.4914 3.4987 3.7899 3.7930 9.3426 9.3475 9.3614 9.3635 11.7939 11.7980 12.1013 12.2232 k = 0.2931 0.5077-0.0000 ( 4364 PWs) bands (ev): -11.7793 -11.7789 -11.7742 -11.7738 -9.8560 -9.8555 -9.8518 -9.8511 -3.0193 -3.0036 -2.9812 -2.9529 -2.9344 -2.8963 -2.8185 -2.8073 -2.4206 -2.4169 -2.3074 -2.2835 -2.2649 -2.2539 -2.2089 -2.2016 -2.1917 -2.1656 -2.0585 -2.0448 0.4519 0.4536 0.5578 0.5633 1.1699 1.1861 1.3886 1.3983 1.4839 1.5087 1.7460 1.7599 2.3315 2.3572 2.5563 2.5641 3.1169 3.1228 3.4830 3.4953 3.4968 3.5007 3.7871 3.7907 9.3300 9.3354 9.3456 9.3485 11.7937 11.7999 12.0486 12.1703 k = 0.2874 0.4977-0.0000 ( 4352 PWs) bands (ev): -11.7807 -11.7802 -11.7755 -11.7749 -9.8594 -9.8587 -9.8551 -9.8543 -3.0244 -3.0075 -2.9857 -2.9577 -2.9294 -2.8923 -2.8208 -2.8069 -2.4233 -2.4203 -2.3097 -2.2897 -2.2683 -2.2608 -2.2073 -2.2003 -2.1912 -2.1583 -2.0612 -2.0466 0.4423 0.4440 0.5656 0.5717 1.1651 1.1824 1.4024 1.4130 1.5159 1.5415 1.7395 1.7546 2.3428 2.3693 2.5821 2.5900 3.1133 3.1194 3.4855 3.4986 3.5041 3.5101 3.7840 3.7882 9.3153 9.3214 9.3286 9.3322 11.7953 11.8034 11.9969 12.1184 k = 0.2816 0.4878-0.0000 ( 4348 PWs) bands (ev): -11.7822 -11.7816 -11.7769 -11.7762 -9.8632 -9.8625 -9.8589 -9.8579 -3.0294 -3.0116 -2.9901 -2.9627 -2.9248 -2.8891 -2.8236 -2.8065 -2.4260 -2.4238 -2.3127 -2.2960 -2.2723 -2.2677 -2.2054 -2.2000 -2.1907 -2.1510 -2.0645 -2.0492 0.4330 0.4348 0.5741 0.5809 1.1632 1.1814 1.4155 1.4269 1.5506 1.5768 1.7334 1.7495 2.3575 2.3845 2.6078 2.6160 3.1105 3.1168 3.4850 3.4976 3.5163 3.5226 3.7808 3.7855 9.2980 9.3039 9.3118 9.3154 11.7987 11.8072 11.9483 12.0680 k = 0.2759 0.4778-0.0000 ( 4344 PWs) bands (ev): -11.7840 -11.7832 -11.7785 -11.7777 -9.8675 -9.8666 -9.8632 -9.8621 -3.0341 -3.0159 -2.9944 -2.9678 -2.9208 -2.8866 -2.8267 -2.8062 -2.4287 -2.4273 -2.3163 -2.3023 -2.2770 -2.2748 -2.2034 -2.2003 -2.1901 -2.1440 -2.0684 -2.0525 0.4243 0.4264 0.5834 0.5910 1.1643 1.1833 1.4279 1.4401 1.5878 1.6144 1.7282 1.7451 2.3752 2.4024 2.6334 2.6418 3.1089 3.1153 3.4830 3.4956 3.5303 3.5362 3.7774 3.7827 9.2782 9.2835 9.2951 9.2980 11.8038 11.8080 11.9066 12.0195 k = 0.2701 0.4679-0.0000 ( 4346 PWs) bands (ev): -11.7860 -11.7851 -11.7802 -11.7794 -9.8722 -9.8712 -9.8680 -9.8668 -3.0388 -3.0202 -2.9986 -2.9731 -2.9173 -2.8851 -2.8301 -2.8060 -2.4314 -2.4310 -2.3203 -2.3088 -2.2823 -2.2818 -2.2017 -2.2011 -2.1891 -2.1373 -2.0728 -2.0566 0.4164 0.4190 0.5935 0.6019 1.1684 1.1880 1.4396 1.4525 1.6271 1.6540 1.7243 1.7417 2.3952 2.4225 2.6587 2.6675 3.1087 3.1151 3.4797 3.4925 3.5454 3.5508 3.7740 3.7797 9.2565 9.2614 9.2772 9.2796 11.7965 11.8104 11.8813 11.9735 k = 0.2644 0.4579-0.0000 ( 4336 PWs) bands (ev): -11.7882 -11.7872 -11.7822 -11.7812 -9.8773 -9.8762 -9.8733 -9.8721 -3.0431 -3.0246 -3.0026 -2.9783 -2.9143 -2.8843 -2.8337 -2.8058 -2.4345 -2.4339 -2.3247 -2.3152 -2.2889 -2.2880 -2.2023 -2.2006 -2.1876 -2.1311 -2.0778 -2.0612 0.4094 0.4128 0.6043 0.6136 1.1755 1.1957 1.4508 1.4644 1.6682 1.6954 1.7219 1.7396 2.4172 2.4444 2.6838 2.6928 3.1102 3.1167 3.4755 3.4886 3.5613 3.5661 3.7706 3.7768 9.2335 9.2384 9.2575 9.2596 11.7675 11.8182 11.8781 11.9303 k = 0.2586 0.4479-0.0000 ( 4338 PWs) bands (ev): -11.7907 -11.7896 -11.7843 -11.7831 -9.8828 -9.8817 -9.8791 -9.8778 -3.0473 -3.0291 -3.0065 -2.9836 -2.9120 -2.8844 -2.8375 -2.8057 -2.4382 -2.4364 -2.3293 -2.3217 -2.2959 -2.2944 -2.2039 -2.2003 -2.1856 -2.1256 -2.0835 -2.0665 0.4037 0.4078 0.6157 0.6262 1.1855 1.2063 1.4614 1.4759 1.7107 1.7216 1.7369 1.7405 2.4408 2.4677 2.7085 2.7178 3.1135 3.1200 3.4702 3.4837 3.5777 3.5819 3.7672 3.7738 9.2096 9.2148 9.2356 9.2378 11.7308 11.8266 11.8874 11.8908 k = 0.2529 0.4380-0.0000 ( 4346 PWs) bands (ev): -11.7935 -11.7922 -11.7866 -11.7853 -9.8887 -9.8877 -9.8853 -9.8841 -3.0514 -3.0336 -3.0103 -2.9889 -2.9105 -2.8855 -2.8415 -2.8058 -2.4418 -2.4388 -2.3340 -2.3283 -2.3029 -2.3012 -2.2059 -2.2007 -2.1833 -2.1213 -2.0897 -2.0721 0.3992 0.4041 0.6277 0.6394 1.1985 1.2197 1.4715 1.4870 1.7225 1.7401 1.7555 1.7827 2.4656 2.4920 2.7328 2.7423 3.1189 3.1254 3.4641 3.4779 3.5945 3.5980 3.7639 3.7708 9.1851 9.1908 9.2114 9.2137 11.6936 11.8319 11.8588 11.9020 k = 0.2471 0.4280-0.0000 ( 4352 PWs) bands (ev): -11.7965 -11.7951 -11.7891 -11.7876 -9.8950 -9.8942 -9.8919 -9.8909 -3.0553 -3.0381 -3.0141 -2.9940 -2.9098 -2.8875 -2.8457 -2.8059 -2.4455 -2.4410 -2.3387 -2.3349 -2.3097 -2.3084 -2.2082 -2.2017 -2.1808 -2.1180 -2.0964 -2.0777 0.3960 0.4020 0.6403 0.6533 1.2144 1.2359 1.4812 1.4980 1.7264 1.7434 1.8008 1.8280 2.4913 2.5172 2.7565 2.7663 3.1265 3.1330 3.4571 3.4713 3.6115 3.6144 3.7607 3.7678 9.1602 9.1665 9.1845 9.1871 11.6588 11.8142 11.8544 11.9194 k = 0.2414 0.4181-0.0000 ( 4346 PWs) bands (ev): -11.7997 -11.7982 -11.7917 -11.7901 -9.9016 -9.9014 -9.8987 -9.8982 -3.0590 -3.0426 -3.0176 -2.9991 -2.9099 -2.8902 -2.8497 -2.8062 -2.4491 -2.4431 -2.3433 -2.3415 -2.3163 -2.3158 -2.2107 -2.2031 -2.1785 -2.1165 -2.1035 -2.0828 0.3942 0.4013 0.6533 0.6677 1.2330 1.2548 1.4906 1.5088 1.7328 1.7489 1.8472 1.8742 2.5177 2.5429 2.7798 2.7898 3.1362 3.1427 3.4495 3.4641 3.6286 3.6308 3.7576 3.7649 9.1350 9.1419 9.1550 9.1578 11.6273 11.7872 11.8638 11.9385 k = 0.2356 0.4081-0.0000 ( 4350 PWs) bands (ev): -11.8032 -11.8016 -11.7945 -11.7927 -9.9091 -9.9086 -9.9059 -9.9057 -3.0626 -3.0471 -3.0212 -3.0041 -2.9110 -2.8939 -2.8538 -2.8067 -2.4528 -2.4450 -2.3482 -2.3477 -2.3235 -2.3228 -2.2135 -2.2049 -2.1764 -2.1174 -2.1111 -2.0868 0.3939 0.4022 0.6666 0.6826 1.2543 1.2763 1.4999 1.5197 1.7419 1.7568 1.8945 1.9212 2.5445 2.5690 2.8024 2.8127 3.1481 3.1546 3.4412 3.4564 3.6457 3.6473 3.7547 3.7621 9.1092 9.1156 9.1242 9.1261 11.5999 11.7633 11.8746 11.9587 k = 0.2299 0.3982-0.0000 ( 4364 PWs) bands (ev): -11.8070 -11.8052 -11.7974 -11.7955 -9.9174 -9.9161 -9.9140 -9.9129 -3.0662 -3.0517 -3.0247 -3.0090 -2.9133 -2.8984 -2.8577 -2.8075 -2.4566 -2.4469 -2.3551 -2.3520 -2.3314 -2.3291 -2.2165 -2.2072 -2.1748 -2.1211 -2.1191 -2.0893 0.3951 0.4047 0.6800 0.6976 1.2781 1.3003 1.5091 1.5307 1.7539 1.7675 1.9423 1.9687 2.5716 2.5952 2.8245 2.8349 3.1621 3.1685 3.4325 3.4481 3.6627 3.6636 3.7519 3.7593 9.0806 9.0822 9.0939 9.0971 11.5769 11.7439 11.8854 11.9794 k = 0.2241 0.3882-0.0000 ( 4365 PWs) bands (ev): -11.8110 -11.8091 -11.8004 -11.7985 -9.9262 -9.9241 -9.9221 -9.9203 -3.0697 -3.0563 -3.0281 -3.0137 -2.9165 -2.9036 -2.8613 -2.8086 -2.4604 -2.4486 -2.3619 -2.3558 -2.3393 -2.3350 -2.2196 -2.2098 -2.1738 -2.1270 -2.1270 -2.0905 0.3978 0.4087 0.6935 0.7128 1.3043 1.3266 1.5185 1.5420 1.7689 1.7810 1.9906 2.0166 2.5988 2.6215 2.8459 2.8564 3.1782 3.1846 3.4235 3.4396 3.6793 3.6798 3.7494 3.7567 9.0427 9.0448 9.0656 9.0728 11.5586 11.7292 11.8956 12.0000 k = 0.2184 0.3783-0.0000 ( 4369 PWs) bands (ev): -11.8153 -11.8133 -11.8037 -11.8016 -9.9354 -9.9330 -9.9302 -9.9279 -3.0731 -3.0609 -3.0313 -3.0182 -2.9210 -2.9095 -2.8648 -2.8099 -2.4644 -2.4502 -2.3687 -2.3594 -2.3472 -2.3405 -2.2230 -2.2127 -2.1736 -2.1348 -2.1344 -2.0914 0.4020 0.4142 0.7067 0.7278 1.3327 1.3552 1.5285 1.5538 1.7870 1.7976 2.0392 2.0647 2.6260 2.6476 2.8666 2.8773 3.1963 3.2025 3.4144 3.4309 3.6956 3.6957 3.7471 3.7541 8.9990 9.0027 9.0402 9.0492 11.5452 11.7196 11.9047 12.0199 k = 0.2126 0.3683-0.0000 ( 4373 PWs) bands (ev): -11.8198 -11.8177 -11.8070 -11.8048 -9.9451 -9.9424 -9.9382 -9.9358 -3.0766 -3.0655 -3.0346 -3.0226 -2.9265 -2.9160 -2.8681 -2.8116 -2.4685 -2.4517 -2.3756 -2.3629 -2.3548 -2.3456 -2.2264 -2.2160 -2.1747 -2.1427 -2.1419 -2.0924 0.4077 0.4213 0.7195 0.7423 1.3632 1.3858 1.5394 1.5663 1.8082 1.8173 2.0879 2.1128 2.6532 2.6736 2.8868 2.8976 3.2162 3.2222 3.4053 3.4223 3.7113 3.7113 3.7453 3.7516 8.9514 8.9562 9.0158 9.0259 11.5368 11.7152 11.9121 12.0383 k = 0.2069 0.3584-0.0000 ( 4377 PWs) bands (ev): -11.8245 -11.8223 -11.8105 -11.8082 -9.9551 -9.9523 -9.9464 -9.9438 -3.0800 -3.0701 -3.0378 -3.0269 -2.9330 -2.9231 -2.8712 -2.8137 -2.4728 -2.4533 -2.3826 -2.3676 -2.3607 -2.3503 -2.2298 -2.2195 -2.1773 -2.1515 -2.1480 -2.0938 0.4147 0.4298 0.7317 0.7562 1.3955 1.4184 1.5516 1.5799 1.8323 1.8402 2.1364 2.1607 2.6801 2.6993 2.9064 2.9172 3.2377 3.2435 3.3963 3.4137 3.7254 3.7263 3.7446 3.7493 8.8999 8.9057 8.9917 9.0029 11.5332 11.7158 11.9171 12.0542 k = 0.2011 0.3484-0.0000 ( 4381 PWs) bands (ev): -11.8295 -11.8272 -11.8141 -11.8117 -9.9654 -9.9625 -9.9546 -9.9519 -3.0835 -3.0747 -3.0409 -3.0311 -2.9403 -2.9306 -2.8743 -2.8162 -2.4774 -2.4550 -2.3895 -2.3745 -2.3638 -2.3544 -2.2333 -2.2234 -2.1818 -2.1606 -2.1527 -2.0957 0.4232 0.4396 0.7430 0.7691 1.4296 1.4526 1.5657 1.5951 1.8594 1.8661 2.1848 2.2083 2.7069 2.7247 2.9254 2.9362 3.2606 3.2662 3.3878 3.4055 3.7339 3.7400 3.7480 3.7493 8.8447 8.8513 8.9679 8.9800 11.5343 11.7213 11.9193 12.0664 k = 0.1954 0.3384-0.0000 ( 4381 PWs) bands (ev): -11.8346 -11.8323 -11.8178 -11.8154 -9.9761 -9.9731 -9.9629 -9.9601 -3.0871 -3.0794 -3.0441 -3.0352 -2.9484 -2.9385 -2.8773 -2.8191 -2.4822 -2.4568 -2.3965 -2.3823 -2.3653 -2.3579 -2.2368 -2.2276 -2.1879 -2.1696 -2.1560 -2.0983 0.4329 0.4508 0.7532 0.7807 1.4652 1.4884 1.5821 1.6121 1.8893 1.8950 2.2328 2.2555 2.7333 2.7498 2.9440 2.9547 3.2848 3.2899 3.3799 3.3977 3.7347 3.7432 3.7567 3.7611 8.7857 8.7933 8.9443 8.9572 11.5398 11.7314 11.9178 12.0736 k = 0.1897 0.3285-0.0000 ( 4389 PWs) bands (ev): -11.8400 -11.8376 -11.8217 -11.8191 -9.9870 -9.9839 -9.9713 -9.9685 -3.0907 -3.0841 -3.0472 -3.0392 -2.9572 -2.9468 -2.8805 -2.8225 -2.4873 -2.4590 -2.4034 -2.3905 -2.3660 -2.3608 -2.2402 -2.2321 -2.1949 -2.1788 -2.1587 -2.1015 0.4438 0.4632 0.7620 0.7908 1.5021 1.5255 1.6012 1.6315 1.9217 1.9266 2.2802 2.3020 2.7595 2.7745 2.9622 2.9728 3.3100 3.3143 3.3730 3.3906 3.7335 3.7413 3.7701 3.7745 8.7232 8.7317 8.9207 8.9344 11.5491 11.7456 11.9119 12.0742 k = 0.1839 0.3185-0.0000 ( 4385 PWs) bands (ev): -11.8456 -11.8431 -11.8256 -11.8230 -9.9982 -9.9950 -9.9797 -9.9768 -3.0944 -3.0888 -3.0503 -3.0431 -2.9665 -2.9553 -2.8837 -2.8262 -2.4926 -2.4616 -2.4101 -2.3987 -2.3660 -2.3630 -2.2435 -2.2370 -2.2021 -2.1877 -2.1609 -2.1053 0.4558 0.4767 0.7693 0.7992 1.5401 1.5636 1.6236 1.6537 1.9566 1.9609 2.3270 2.3478 2.7853 2.7988 2.9802 2.9906 3.3360 3.3377 3.3685 3.3841 3.7318 3.7391 3.7833 3.7879 8.6573 8.6668 8.8971 8.9115 11.5618 11.7633 11.9009 12.0668 k = 0.1782 0.3086-0.0000 ( 4389 PWs) bands (ev): -11.8513 -11.8488 -11.8296 -11.8270 -10.0095 -10.0063 -9.9882 -9.9852 -3.0983 -3.0935 -3.0535 -3.0471 -2.9762 -2.9639 -2.8871 -2.8304 -2.4983 -2.4649 -2.4166 -2.4069 -2.3655 -2.3645 -2.2468 -2.2422 -2.2093 -2.1963 -2.1631 -2.1098 0.4688 0.4911 0.7750 0.8056 1.5790 1.6025 1.6495 1.6789 1.9937 1.9975 2.3729 2.3927 2.8108 2.8227 2.9981 3.0082 3.3508 3.3621 3.3758 3.3789 3.7300 3.7368 3.7960 3.8007 8.5882 8.5986 8.8733 8.8885 11.5769 11.7834 11.8843 12.0504 k = 0.1724 0.2986-0.0000 ( 4391 PWs) bands (ev): -11.8572 -11.8547 -11.8337 -11.8310 -10.0210 -10.0178 -9.9966 -9.9936 -3.1022 -3.0982 -3.0566 -3.0511 -2.9863 -2.9724 -2.8906 -2.8350 -2.5042 -2.4688 -2.4229 -2.4149 -2.3652 -2.3644 -2.2498 -2.2477 -2.2161 -2.2047 -2.1655 -2.1149 0.4826 0.5064 0.7789 0.8101 1.6186 1.6421 1.6792 1.7073 2.0329 2.0362 2.4179 2.4366 2.8360 2.8462 3.0161 3.0257 3.3496 3.3722 3.3910 3.3988 3.7282 3.7346 3.8080 3.8130 8.5162 8.5274 8.8494 8.8652 11.5934 11.8047 11.8616 12.0246 k = 0.1667 0.2887-0.0000 ( 4397 PWs) bands (ev): -11.8632 -11.8606 -11.8379 -11.8352 -10.0325 -10.0293 -10.0049 -10.0019 -3.1063 -3.1029 -3.0599 -3.0553 -2.9966 -2.9809 -2.8943 -2.8401 -2.5105 -2.4735 -2.4290 -2.4230 -2.3653 -2.3629 -2.2534 -2.2527 -2.2223 -2.2129 -2.1681 -2.1205 0.4971 0.5223 0.7810 0.8126 1.6588 1.6821 1.7127 1.7392 2.0739 2.0769 2.4617 2.4794 2.8609 2.8695 3.0342 3.0433 3.3462 3.3686 3.4179 3.4251 3.7264 3.7323 3.8195 3.8247 8.4414 8.4535 8.8253 8.8416 11.6100 11.8246 11.8333 11.9895 k = 0.1609 0.2787-0.0000 ( 4393 PWs) bands (ev): -11.8693 -11.8668 -11.8421 -11.8394 -10.0442 -10.0409 -10.0132 -10.0102 -3.1104 -3.1076 -3.0632 -3.0598 -3.0071 -2.9890 -2.8981 -2.8456 -2.5170 -2.4790 -2.4347 -2.4308 -2.3646 -2.3611 -2.2592 -2.2554 -2.2280 -2.2206 -2.1709 -2.1265 0.5122 0.5387 0.7814 0.8132 1.6994 1.7229 1.7497 1.7745 2.1166 2.1192 2.5045 2.5210 2.8856 2.8924 3.0527 3.0611 3.3432 3.3655 3.4453 3.4521 3.7247 3.7302 3.8304 3.8358 8.3642 8.3771 8.8008 8.8176 11.6251 11.7967 11.8436 11.9460 k = 0.1552 0.2688-0.0000 ( 4397 PWs) bands (ev): -11.8755 -11.8730 -11.8463 -11.8436 -10.0558 -10.0526 -10.0214 -10.0184 -3.1146 -3.1122 -3.0666 -3.0646 -3.0176 -2.9967 -2.9021 -2.8516 -2.5238 -2.4851 -2.4403 -2.4386 -2.3633 -2.3589 -2.2651 -2.2579 -2.2330 -2.2278 -2.1739 -2.1331 0.5276 0.5554 0.7801 0.8119 1.7403 1.7647 1.7895 1.8131 2.1605 2.1630 2.5459 2.5613 2.9101 2.9152 3.0717 3.0791 3.3409 3.3634 3.4727 3.4791 3.7229 3.7281 3.8406 3.8461 8.2848 8.2984 8.7760 8.7932 11.6369 11.7551 11.8559 11.8953 k = 0.1494 0.2588-0.0000 ( 4393 PWs) bands (ev): -11.8818 -11.8793 -11.8506 -11.8479 -10.0674 -10.0642 -10.0294 -10.0264 -3.1188 -3.1168 -3.0702 -3.0697 -3.0280 -3.0038 -2.9063 -2.8579 -2.5309 -2.4917 -2.4461 -2.4457 -2.3615 -2.3566 -2.2707 -2.2602 -2.2375 -2.2344 -2.1771 -2.1399 0.5433 0.5723 0.7774 0.8089 1.7814 1.8079 1.8317 1.8550 2.2056 2.2078 2.5859 2.6002 2.9344 2.9379 3.0912 3.0975 3.3396 3.3622 3.4998 3.5060 3.7213 3.7260 3.8501 3.8558 8.2035 8.2177 8.7508 8.7683 11.6431 11.7077 11.8387 11.8597 k = 0.1437 0.2489-0.0000 ( 4397 PWs) bands (ev): -11.8882 -11.8857 -11.8549 -11.8522 -10.0790 -10.0758 -10.0373 -10.0343 -3.1231 -3.1214 -3.0754 -3.0740 -3.0382 -3.0103 -2.9105 -2.8647 -2.5384 -2.4989 -2.4535 -2.4512 -2.3591 -2.3541 -2.2759 -2.2623 -2.2416 -2.2406 -2.1805 -2.1471 0.5590 0.5891 0.7733 0.8045 1.8226 1.8522 1.8762 1.9000 2.2515 2.2535 2.6246 2.6377 2.9587 2.9605 3.1112 3.1162 3.3393 3.3623 3.5266 3.5325 3.7198 3.7241 3.8590 3.8647 8.1205 8.1353 8.7251 8.7430 11.6414 11.6550 11.7779 11.8524 k = 0.1379 0.2389-0.0000 ( 4409 PWs) bands (ev): -11.8946 -11.8921 -11.8592 -11.8565 -10.0905 -10.0873 -10.0450 -10.0421 -3.1275 -3.1260 -3.0816 -3.0782 -3.0481 -3.0162 -2.9150 -2.8719 -2.5460 -2.5063 -2.4609 -2.4569 -2.3564 -2.3515 -2.2806 -2.2643 -2.2462 -2.2453 -2.1841 -2.1545 0.5745 0.6056 0.7680 0.7987 1.8638 1.8970 1.9232 1.9480 2.2978 2.2996 2.6616 2.6738 2.9831 2.9832 3.1315 3.1349 3.3402 3.3636 3.5527 3.5585 3.7184 3.7224 3.8673 3.8730 8.0362 8.0514 8.6990 8.7171 11.5977 11.6285 11.7155 11.8324 k = 0.1322 0.2289-0.0000 ( 4405 PWs) bands (ev): -11.9010 -11.8985 -11.8635 -11.8608 -10.1018 -10.0987 -10.0526 -10.0496 -3.1319 -3.1304 -3.0882 -3.0829 -3.0570 -3.0212 -2.9195 -2.8793 -2.5538 -2.5138 -2.4679 -2.4627 -2.3532 -2.3488 -2.2847 -2.2660 -2.2511 -2.2485 -2.1878 -2.1620 0.5898 0.6218 0.7617 0.7918 1.9049 1.9414 1.9733 1.9986 2.3443 2.3460 2.6972 2.7084 3.0062 3.0077 3.1518 3.1533 3.3428 3.3666 3.5782 3.5838 3.7172 3.7208 3.8748 3.8805 7.9508 7.9664 8.6725 8.6907 11.5365 11.5979 11.6581 11.7995 k = 0.1264 0.2190-0.0000 ( 4401 PWs) bands (ev): -11.9073 -11.9049 -11.8678 -11.8651 -10.1129 -10.1098 -10.0599 -10.0570 -3.1362 -3.1348 -3.0951 -3.0885 -3.0649 -3.0255 -2.9241 -2.8871 -2.5616 -2.5213 -2.4748 -2.4687 -2.3498 -2.3462 -2.2881 -2.2678 -2.2553 -2.2514 -2.1915 -2.1695 0.6047 0.6373 0.7546 0.7840 1.9460 1.9852 2.0264 2.0517 2.3907 2.3922 2.7311 2.7414 3.0296 3.0326 3.1710 3.1714 3.3474 3.3717 3.6029 3.6082 3.7163 3.7196 3.8817 3.8873 7.8646 7.8805 8.6456 8.6639 11.4721 11.5433 11.6125 11.7552 k = 0.1207 0.2090-0.0000 ( 4401 PWs) bands (ev): -11.9136 -11.9113 -11.8720 -11.8694 -10.1238 -10.1208 -10.0669 -10.0641 -3.1405 -3.1391 -3.1024 -3.0952 -3.0714 -3.0293 -2.9288 -2.8952 -2.5694 -2.5287 -2.4816 -2.4750 -2.3462 -2.3437 -2.2908 -2.2696 -2.2588 -2.2540 -2.1954 -2.1771 0.6190 0.6520 0.7469 0.7755 1.9870 2.0285 2.0820 2.1069 2.4364 2.4379 2.7633 2.7729 3.0535 3.0579 3.1871 3.1895 3.3548 3.3795 3.6266 3.6315 3.7159 3.7186 3.8880 3.8934 7.7779 7.7940 8.6184 8.6366 11.4051 11.4747 11.5699 11.7016 k = 0.1149 0.1991-0.0000 ( 4393 PWs) bands (ev): -11.9199 -11.9176 -11.8761 -11.8735 -10.1345 -10.1315 -10.0737 -10.0710 -3.1447 -3.1433 -3.1097 -3.1028 -3.0765 -3.0324 -2.9336 -2.9035 -2.5772 -2.5360 -2.4883 -2.4816 -2.3424 -2.3412 -2.2927 -2.2714 -2.2613 -2.2563 -2.1994 -2.1846 0.6326 0.6659 0.7387 0.7665 2.0279 2.0715 2.1398 2.1640 2.4812 2.4826 2.7939 2.8027 3.0782 3.0840 3.2009 3.2050 3.3658 3.3905 3.6493 3.6535 3.7161 3.7181 3.8935 3.8987 7.6909 7.7072 8.5910 8.6091 11.3362 11.4012 11.5231 11.6410 k = 0.1092 0.1891-0.0000 ( 4393 PWs) bands (ev): -11.9260 -11.9238 -11.8801 -11.8777 -10.1448 -10.1420 -10.0802 -10.0776 -3.1489 -3.1474 -3.1172 -3.1110 -3.0806 -3.0351 -2.9385 -2.9121 -2.5848 -2.5430 -2.4949 -2.4885 -2.3391 -2.3385 -2.2939 -2.2733 -2.2632 -2.2583 -2.2033 -2.1920 0.6454 0.6787 0.7303 0.7571 2.0689 2.1143 2.1992 2.2227 2.5246 2.5260 2.8227 2.8309 3.1036 3.1109 3.2116 3.2167 3.3812 3.4054 3.6705 3.6737 3.7175 3.7183 3.8983 3.9033 7.6041 7.6204 8.5633 8.5813 11.2661 11.3257 11.4712 11.5753 k = 0.1034 0.1792-0.0000 ( 4401 PWs) bands (ev): -11.9321 -11.9299 -11.8841 -11.8817 -10.1549 -10.1521 -10.0865 -10.0839 -3.1531 -3.1515 -3.1246 -3.1194 -3.0840 -3.0374 -2.9435 -2.9210 -2.5921 -2.5499 -2.5015 -2.4958 -2.3372 -2.3346 -2.2944 -2.2753 -2.2645 -2.2602 -2.2074 -2.1994 0.6573 0.6902 0.7219 0.7475 2.1099 2.1569 2.2598 2.2826 2.5662 2.5676 2.8498 2.8574 3.1298 3.1389 3.2191 3.2243 3.4011 3.4242 3.6898 3.6907 3.7197 3.7214 3.9025 3.9072 7.5176 7.5339 8.5357 8.5533 11.1952 11.2495 11.4148 11.5064 k = 0.0977 0.1692-0.0000 ( 4397 PWs) bands (ev): -11.9379 -11.9358 -11.8880 -11.8856 -10.1646 -10.1619 -10.0924 -10.0900 -3.1571 -3.1553 -3.1319 -3.1276 -3.0869 -3.0392 -2.9484 -2.9300 -2.5991 -2.5563 -2.5079 -2.5032 -2.3354 -2.3306 -2.2942 -2.2770 -2.2652 -2.2617 -2.2112 -2.2065 0.6683 0.7000 0.7140 0.7377 2.1511 2.1995 2.3213 2.3432 2.6057 2.6072 2.8752 2.8823 3.1563 3.1681 3.2240 3.2277 3.4251 3.4466 3.7021 3.7052 3.7245 3.7301 3.9059 3.9102 7.4319 7.4481 8.5081 8.5254 11.1242 11.1735 11.3552 11.4357 k = 0.0920 0.1593-0.0000 ( 4397 PWs) bands (ev): -11.9436 -11.9416 -11.8917 -11.8894 -10.1738 -10.1713 -10.0981 -10.0957 -3.1610 -3.1591 -3.1389 -3.1356 -3.0893 -3.0408 -2.9535 -2.9392 -2.6057 -2.5623 -2.5142 -2.5110 -2.3337 -2.3267 -2.2935 -2.2785 -2.2657 -2.2631 -2.2152 -2.2133 0.6783 0.7020 0.7127 0.7280 2.1925 2.2421 2.3832 2.4043 2.6426 2.6443 2.8988 2.9054 3.1808 3.1985 3.2277 3.2287 3.4523 3.4719 3.7082 3.7131 3.7360 3.7436 3.9086 3.9125 7.3473 7.3632 8.4808 8.4976 11.0537 11.0983 11.2935 11.3642 k = 0.0862 0.1493-0.0000 ( 4397 PWs) bands (ev): -11.9491 -11.9472 -11.8953 -11.8931 -10.1827 -10.1803 -10.1034 -10.1012 -3.1648 -3.1628 -3.1456 -3.1433 -3.0913 -3.0420 -2.9585 -2.9484 -2.6119 -2.5680 -2.5204 -2.5190 -2.3321 -2.3229 -2.2923 -2.2798 -2.2660 -2.2643 -2.2199 -2.2190 0.6873 0.6948 0.7184 0.7196 2.2342 2.2848 2.4451 2.4653 2.6767 2.6788 2.9207 2.9268 3.1959 3.2217 3.2331 3.2414 3.4815 3.4993 3.7123 3.7170 3.7508 3.7584 3.9104 3.9139 7.2641 7.2798 8.4539 8.4702 10.9841 11.0243 11.2307 11.2929 k = 0.0805 0.1394-0.0000 ( 4409 PWs) bands (ev): -11.9544 -11.9525 -11.8987 -11.8966 -10.1911 -10.1888 -10.1085 -10.1063 -3.1686 -3.1664 -3.1521 -3.1506 -3.0930 -3.0430 -2.9637 -2.9577 -2.6176 -2.5731 -2.5272 -2.5266 -2.3307 -2.3192 -2.2909 -2.2808 -2.2661 -2.2655 -2.2263 -2.2228 0.6869 0.6953 0.7090 0.7264 2.2761 2.3275 2.5065 2.5259 2.7079 2.7104 2.9409 2.9465 3.1968 3.2167 3.2653 3.2668 3.5119 3.5278 3.7161 3.7205 3.7656 3.7730 3.9115 3.9144 7.1828 7.1980 8.4275 8.4432 10.9160 10.9522 11.1680 11.2227 k = 0.0747 0.1294-0.0000 ( 4397 PWs) bands (ev): -11.9594 -11.9577 -11.9019 -11.9000 -10.1990 -10.1969 -10.1131 -10.1111 -3.1721 -3.1698 -3.1581 -3.1574 -3.0941 -3.0435 -2.9686 -2.9669 -2.6227 -2.5777 -2.5354 -2.5325 -2.3291 -2.3156 -2.2890 -2.2813 -2.2663 -2.2660 -2.2321 -2.2264 0.6792 0.6997 0.7026 0.7321 2.3184 2.3703 2.5670 2.5855 2.7361 2.7391 2.9595 2.9646 3.1900 3.2079 3.2988 3.3002 3.5424 3.5566 3.7207 3.7247 3.7794 3.7866 3.9117 3.9140 7.1037 7.1185 8.4019 8.4169 10.8499 10.8823 11.1061 11.1543 k = 0.0690 0.1195-0.0000 ( 4393 PWs) bands (ev): -11.9641 -11.9625 -11.9050 -11.9032 -10.2065 -10.2044 -10.1175 -10.1156 -3.1755 -3.1731 -3.1637 -3.1637 -3.0948 -3.0438 -2.9760 -2.9736 -2.6272 -2.5818 -2.5437 -2.5383 -2.3275 -2.3122 -2.2870 -2.2816 -2.2671 -2.2659 -2.2377 -2.2300 0.6718 0.6911 0.7087 0.7367 2.3608 2.4131 2.6260 2.6436 2.7612 2.7649 2.9766 2.9811 3.1792 3.1967 3.3335 3.3363 3.5720 3.5847 3.7263 3.7300 3.7921 3.7990 3.9109 3.9126 7.0273 7.0415 8.3773 8.3915 10.7863 10.8153 11.0458 11.0882 k = 0.0632 0.1095-0.0000 ( 4381 PWs) bands (ev): -11.9685 -11.9670 -11.9079 -11.9062 -10.2134 -10.2115 -10.1215 -10.1198 -3.1787 -3.1762 -3.1694 -3.1688 -3.0952 -3.0438 -2.9850 -2.9785 -2.6310 -2.5853 -2.5519 -2.5439 -2.3258 -2.3090 -2.2849 -2.2816 -2.2678 -2.2658 -2.2429 -2.2333 0.6649 0.6828 0.7141 0.7404 2.4034 2.4558 2.6829 2.6996 2.7834 2.7880 2.9922 2.9962 3.1655 3.1831 3.3698 3.3735 3.5997 3.6109 3.7336 3.7370 3.8035 3.8102 3.9092 3.9101 6.9542 6.9677 8.3538 8.3671 10.7257 10.7514 10.9879 11.0251 k = 0.0575 0.0995-0.0000 ( 4389 PWs) bands (ev): -11.9727 -11.9713 -11.9105 -11.9090 -10.2198 -10.2180 -10.1252 -10.1236 -3.1818 -3.1793 -3.1747 -3.1736 -3.0951 -3.0435 -2.9939 -2.9834 -2.6342 -2.5884 -2.5602 -2.5495 -2.3241 -2.3063 -2.2829 -2.2814 -2.2685 -2.2658 -2.2477 -2.2367 0.6585 0.6749 0.7188 0.7432 2.4461 2.4985 2.7370 2.7527 2.8030 2.8085 3.0064 3.0100 3.1494 3.1674 3.4070 3.4112 3.6244 3.6342 3.7430 3.7462 3.8135 3.8200 3.9063 3.9064 6.8847 6.8975 8.3316 8.3440 10.6685 10.6912 10.9330 10.9655 k = 0.0517 0.0896-0.0000 ( 4385 PWs) bands (ev): -11.9764 -11.9752 -11.9129 -11.9115 -10.2256 -10.2240 -10.1285 -10.1270 -3.1847 -3.1823 -3.1792 -3.1778 -3.0945 -3.0430 -3.0027 -2.9883 -2.6366 -2.5908 -2.5683 -2.5547 -2.3223 -2.3038 -2.2808 -2.2808 -2.2691 -2.2658 -2.2520 -2.2399 0.6527 0.6676 0.7228 0.7452 2.4888 2.5410 2.7871 2.8017 2.8206 2.8273 3.0195 3.0226 3.1312 3.1495 3.4445 3.4491 3.6452 3.6535 3.7552 3.7582 3.8223 3.8285 3.9016 3.9021 6.8195 6.8313 8.3109 8.3223 10.6152 10.6351 10.8815 10.9098 k = 0.0460 0.0796-0.0000 ( 4393 PWs) bands (ev): -11.9799 -11.9787 -11.9151 -11.9139 -10.2308 -10.2294 -10.1314 -10.1301 -3.1875 -3.1854 -3.1830 -3.1816 -3.0935 -3.0422 -3.0112 -2.9930 -2.6384 -2.5928 -2.5762 -2.5599 -2.3204 -2.3018 -2.2799 -2.2789 -2.2697 -2.2662 -2.2558 -2.2431 0.6475 0.6608 0.7262 0.7465 2.5312 2.5833 2.8257 2.8368 2.8432 2.8536 3.0315 3.0344 3.1111 3.1297 3.4820 3.4868 3.6616 3.6684 3.7698 3.7728 3.8297 3.8356 3.8954 3.8967 6.7591 6.7699 8.2919 8.3022 10.5663 10.5836 10.8342 10.8586 k = 0.0402 0.0697-0.0000 ( 4377 PWs) bands (ev): -11.9829 -11.9819 -11.9171 -11.9160 -10.2355 -10.2342 -10.1341 -10.1329 -3.1900 -3.1883 -3.1859 -3.1848 -3.0919 -3.0409 -3.0194 -2.9975 -2.6394 -2.5942 -2.5839 -2.5646 -2.3184 -2.3002 -2.2785 -2.2769 -2.2701 -2.2668 -2.2586 -2.2459 0.6429 0.6547 0.7292 0.7472 2.5733 2.6251 2.8419 2.8526 2.8811 2.8924 3.0422 3.0454 3.0898 3.1079 3.5189 3.5240 3.6739 3.6795 3.7863 3.7891 3.8359 3.8414 3.8879 3.8900 6.7040 6.7138 8.2748 8.2840 10.5221 10.5369 10.7914 10.8122 k = 0.0345 0.0597-0.0000 ( 4373 PWs) bands (ev): -11.9856 -11.9847 -11.9188 -11.9178 -10.2395 -10.2384 -10.1363 -10.1353 -3.1923 -3.1912 -3.1882 -3.1875 -3.0899 -3.0395 -3.0274 -3.0019 -2.6396 -2.5951 -2.5912 -2.5691 -2.3163 -2.2991 -2.2770 -2.2753 -2.2705 -2.2680 -2.2606 -2.2488 0.6390 0.6492 0.7318 0.7473 2.6149 2.6664 2.8519 2.8644 2.9172 2.9275 3.0482 3.0557 3.0712 3.0848 3.5548 3.5600 3.6829 3.6874 3.8032 3.8057 3.8408 3.8456 3.8793 3.8820 6.6549 6.6635 8.2597 8.2677 10.4831 10.4956 10.7536 10.7710 k = 0.0287 0.0498-0.0000 ( 4369 PWs) bands (ev): -11.9879 -11.9871 -11.9202 -11.9194 -10.2429 -10.2420 -10.1382 -10.1374 -3.1943 -3.1937 -3.1902 -3.1897 -3.0873 -3.0378 -3.0349 -3.0062 -2.6391 -2.5982 -2.5954 -2.5734 -2.3142 -2.2985 -2.2752 -2.2740 -2.2706 -2.2697 -2.2618 -2.2515 0.6358 0.6443 0.7340 0.7471 2.6557 2.7069 2.8590 2.8743 2.9477 2.9565 3.0339 3.0552 3.0707 3.0712 3.5891 3.5945 3.6895 3.6931 3.8194 3.8213 3.8439 3.8475 3.8704 3.8733 6.6122 6.6196 8.2468 8.2535 10.4496 10.4598 10.7211 10.7354 k = 0.0230 0.0398-0.0000 ( 4369 PWs) bands (ev): -11.9897 -11.9891 -11.9214 -11.9208 -10.2457 -10.2450 -10.1397 -10.1391 -3.1961 -3.1957 -3.1918 -3.1915 -3.0842 -3.0422 -3.0358 -3.0104 -2.6379 -2.6048 -2.5952 -2.5774 -2.3120 -2.2985 -2.2735 -2.2735 -2.2711 -2.2701 -2.2626 -2.2542 0.6334 0.6402 0.7360 0.7465 2.6953 2.7465 2.8635 2.8826 2.9717 2.9788 3.0094 3.0298 3.0797 3.0804 3.6214 3.6267 3.6945 3.6972 3.8337 3.8346 3.8442 3.8447 3.8639 3.8655 6.5767 6.5827 8.2362 8.2416 10.4219 10.4300 10.6943 10.7056 k = 0.0172 0.0299-0.0000 ( 4363 PWs) bands (ev): -11.9911 -11.9907 -11.9223 -11.9218 -10.2479 -10.2473 -10.1409 -10.1404 -3.1974 -3.1973 -3.1930 -3.1929 -3.0806 -3.0490 -3.0335 -3.0144 -2.6360 -2.6109 -2.5944 -2.5810 -2.3097 -2.2991 -2.2735 -2.2728 -2.2711 -2.2692 -2.2632 -2.2567 0.6316 0.6368 0.7377 0.7457 2.7334 2.7848 2.8650 2.8896 2.9833 2.9895 2.9943 3.0015 3.0899 3.0902 3.6508 3.6557 3.6982 3.7000 3.8356 3.8362 3.8454 3.8477 3.8616 3.8620 6.5486 6.5532 8.2280 8.2321 10.4003 10.4063 10.6735 10.6818 k = 0.0115 0.0199-0.0000 ( 4365 PWs) bands (ev): -11.9922 -11.9919 -11.9229 -11.9226 -10.2494 -10.2490 -10.1417 -10.1414 -3.1984 -3.1984 -3.1939 -3.1939 -3.0765 -3.0554 -3.0309 -3.0182 -2.6334 -2.6166 -2.5933 -2.5843 -2.3076 -2.3002 -2.2737 -2.2735 -2.2693 -2.2683 -2.2637 -2.2591 0.6306 0.6341 0.7394 0.7447 2.7693 2.8205 2.8631 2.8955 2.9589 2.9716 3.0012 3.0047 3.0985 3.0986 3.6760 3.6800 3.7009 3.7018 3.8241 3.8262 3.8541 3.8553 3.8613 3.8621 6.5285 6.5316 8.2222 8.2250 10.3850 10.3890 10.6588 10.6643 k = 0.0057 0.0100-0.0000 ( 4369 PWs) bands (ev): -11.9927 -11.9926 -11.9233 -11.9231 -10.2503 -10.2501 -10.1422 -10.1420 -3.1991 -3.1991 -3.1945 -3.1945 -3.0720 -3.0614 -3.0281 -3.0217 -2.6301 -2.6217 -2.5917 -2.5872 -2.3055 -2.3017 -2.2740 -2.2740 -2.2677 -2.2674 -2.2639 -2.2613 0.6304 0.6321 0.7409 0.7435 2.8016 2.8416 2.8668 2.8993 2.9390 2.9435 3.0082 3.0099 3.1042 3.1042 3.6944 3.6962 3.7030 3.7033 3.8144 3.8162 3.8592 3.8595 3.8623 3.8626 6.5166 6.5182 8.2191 8.2204 10.3761 10.3781 10.6505 10.6532 k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -11.9929 -11.9929 -11.9233 -11.9233 -10.2505 -10.2505 -10.1423 -10.1423 -3.1993 -3.1993 -3.1947 -3.1947 -3.0669 -3.0669 -3.0251 -3.0251 -2.6262 -2.6262 -2.5897 -2.5897 -2.3035 -2.3035 -2.2741 -2.2741 -2.2670 -2.2670 -2.2632 -2.2632 0.6309 0.6309 0.7422 0.7422 2.8279 2.8279 2.8905 2.8905 2.9296 2.9296 3.0110 3.0110 3.1062 3.1062 3.7006 3.7006 3.7051 3.7051 3.8111 3.8111 3.8605 3.8605 3.8633 3.8633 6.5131 6.5131 8.2185 8.2185 10.3738 10.3738 10.6486 10.6486 k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -11.9929 -11.9929 -11.9233 -11.9233 -10.2505 -10.2505 -10.1423 -10.1423 -3.1993 -3.1993 -3.1947 -3.1947 -3.0669 -3.0669 -3.0251 -3.0251 -2.6262 -2.6262 -2.5897 -2.5897 -2.3035 -2.3035 -2.2741 -2.2741 -2.2670 -2.2670 -2.2632 -2.2632 0.6309 0.6309 0.7422 0.7422 2.8279 2.8279 2.8905 2.8905 2.9296 2.9296 3.0110 3.0110 3.1062 3.1062 3.7006 3.7006 3.7051 3.7051 3.8111 3.8111 3.8605 3.8605 3.8633 3.8633 6.5131 6.5131 8.2185 8.2185 10.3738 10.3738 10.6486 10.6486 k = 0.0000 0.0000 0.0111 ( 4369 PWs) bands (ev): -11.9927 -11.9927 -11.9235 -11.9235 -10.2502 -10.2502 -10.1426 -10.1426 -3.1993 -3.1993 -3.1947 -3.1947 -3.0668 -3.0668 -3.0251 -3.0251 -2.6261 -2.6261 -2.5897 -2.5897 -2.3034 -2.3034 -2.2741 -2.2741 -2.2670 -2.2670 -2.2633 -2.2633 0.6310 0.6310 0.7419 0.7419 2.8285 2.8285 2.8921 2.8921 2.9300 2.9300 3.0105 3.0105 3.1056 3.1056 3.7011 3.7011 3.7056 3.7056 3.8082 3.8082 3.8602 3.8602 3.8629 3.8629 6.5174 6.5174 8.2136 8.2136 10.3757 10.3757 10.6485 10.6485 k = 0.0000 0.0000 0.0223 ( 4375 PWs) bands (ev): -11.9922 -11.9922 -11.9240 -11.9240 -10.2494 -10.2494 -10.1433 -10.1433 -3.1993 -3.1993 -3.1948 -3.1948 -3.0666 -3.0666 -3.0254 -3.0254 -2.6259 -2.6259 -2.5900 -2.5900 -2.3032 -2.3032 -2.2741 -2.2741 -2.2671 -2.2671 -2.2636 -2.2636 0.6316 0.6316 0.7408 0.7408 2.8304 2.8304 2.8970 2.8970 2.9310 2.9310 3.0089 3.0089 3.1040 3.1040 3.7026 3.7026 3.7070 3.7070 3.7994 3.7994 3.8592 3.8592 3.8620 3.8620 6.5302 6.5302 8.1992 8.1992 10.3811 10.3811 10.6483 10.6483 k = 0.0000 0.0000 0.0334 ( 4369 PWs) bands (ev): -11.9915 -11.9915 -11.9249 -11.9249 -10.2481 -10.2481 -10.1446 -10.1446 -3.1992 -3.1992 -3.1947 -3.1947 -3.0661 -3.0661 -3.0259 -3.0259 -2.6255 -2.6255 -2.5904 -2.5904 -2.3028 -2.3028 -2.2739 -2.2739 -2.2671 -2.2671 -2.2641 -2.2641 0.6325 0.6325 0.7390 0.7390 2.8332 2.8332 2.9053 2.9053 2.9328 2.9328 3.0064 3.0064 3.1014 3.1014 3.7050 3.7050 3.7092 3.7092 3.7850 3.7850 3.8577 3.8577 3.8605 3.8605 6.5511 6.5511 8.1754 8.1754 10.3898 10.3898 10.6479 10.6479 k = 0.0000 0.0000 0.0445 ( 4357 PWs) bands (ev): -11.9904 -11.9904 -11.9261 -11.9261 -10.2463 -10.2463 -10.1463 -10.1463 -3.1990 -3.1990 -3.1948 -3.1948 -3.0654 -3.0654 -3.0264 -3.0264 -2.6248 -2.6248 -2.5909 -2.5909 -2.3022 -2.3022 -2.2738 -2.2738 -2.2670 -2.2670 -2.2648 -2.2648 0.6339 0.6339 0.7366 0.7366 2.8369 2.8369 2.9170 2.9170 2.9352 2.9352 3.0030 3.0030 3.0978 3.0978 3.7084 3.7084 3.7123 3.7123 3.7653 3.7653 3.8556 3.8556 3.8583 3.8583 6.5800 6.5800 8.1430 8.1430 10.4014 10.4014 10.6472 10.6472 k = 0.0000 0.0000 0.0557 ( 4357 PWs) bands (ev): -11.9890 -11.9890 -11.9277 -11.9277 -10.2439 -10.2439 -10.1485 -10.1485 -3.1989 -3.1989 -3.1949 -3.1949 -3.0644 -3.0644 -3.0272 -3.0272 -2.6240 -2.6240 -2.5916 -2.5916 -2.3014 -2.3014 -2.2737 -2.2737 -2.2671 -2.2671 -2.2657 -2.2657 0.6357 0.6357 0.7335 0.7335 2.8412 2.8412 2.9324 2.9324 2.9383 2.9383 2.9986 2.9986 3.0932 3.0932 3.7126 3.7126 3.7157 3.7157 3.7412 3.7412 3.8528 3.8528 3.8555 3.8555 6.6164 6.6164 8.1024 8.1024 10.4155 10.4155 10.6462 10.6462 k = 0.0000 0.0000 0.0668 ( 4362 PWs) bands (ev): -11.9873 -11.9873 -11.9295 -11.9295 -10.2411 -10.2411 -10.1512 -10.1512 -3.1988 -3.1988 -3.1950 -3.1950 -3.0633 -3.0633 -3.0282 -3.0282 -2.6230 -2.6230 -2.5925 -2.5925 -2.3006 -2.3006 -2.2735 -2.2735 -2.2674 -2.2674 -2.2669 -2.2669 0.6378 0.6378 0.7299 0.7299 2.8460 2.8460 2.9421 2.9421 2.9514 2.9514 2.9935 2.9935 3.0878 3.0878 3.7088 3.7088 3.7176 3.7176 3.7238 3.7238 3.8495 3.8495 3.8521 3.8521 6.6596 6.6596 8.0543 8.0543 10.4314 10.4314 10.6449 10.6449 k = 0.0000 0.0000 0.0780 ( 4362 PWs) bands (ev): -11.9854 -11.9854 -11.9316 -11.9316 -10.2379 -10.2379 -10.1543 -10.1543 -3.1987 -3.1987 -3.1952 -3.1952 -3.0620 -3.0620 -3.0293 -3.0293 -2.6219 -2.6219 -2.5935 -2.5935 -2.2995 -2.2995 -2.2733 -2.2733 -2.2682 -2.2682 -2.2676 -2.2676 0.6403 0.6403 0.7258 0.7258 2.8513 2.8513 2.9465 2.9465 2.9738 2.9738 2.9876 2.9876 3.0817 3.0817 3.6774 3.6774 3.7232 3.7232 3.7276 3.7276 3.8456 3.8456 3.8482 3.8482 6.7092 6.7092 7.9998 7.9998 10.4487 10.4487 10.6432 10.6432 k = 0.0000 0.0000 0.0891 ( 4362 PWs) bands (ev): -11.9832 -11.9832 -11.9340 -11.9340 -10.2342 -10.2342 -10.1577 -10.1577 -3.1986 -3.1986 -3.1952 -3.1952 -3.0605 -3.0605 -3.0307 -3.0307 -2.6207 -2.6207 -2.5946 -2.5946 -2.2983 -2.2983 -2.2730 -2.2730 -2.2698 -2.2698 -2.2680 -2.2680 0.6432 0.6432 0.7212 0.7212 2.8570 2.8570 2.9515 2.9515 2.9810 2.9810 2.9995 2.9995 3.0749 3.0749 3.6414 3.6414 3.7295 3.7295 3.7334 3.7334 3.8411 3.8411 3.8437 3.8437 6.7646 6.7646 7.9394 7.9394 10.4666 10.4666 10.6409 10.6409 k = 0.0000 0.0000 0.1002 ( 4380 PWs) bands (ev): -11.9807 -11.9807 -11.9366 -11.9366 -10.2302 -10.2302 -10.1616 -10.1616 -3.1985 -3.1985 -3.1955 -3.1955 -3.0590 -3.0590 -3.0323 -3.0323 -2.6194 -2.6194 -2.5959 -2.5959 -2.2971 -2.2971 -2.2729 -2.2729 -2.2715 -2.2715 -2.2684 -2.2684 0.6464 0.6464 0.7163 0.7163 2.8631 2.8631 2.9570 2.9570 2.9739 2.9739 3.0282 3.0282 3.0675 3.0675 3.6024 3.6024 3.7362 3.7362 3.7398 3.7398 3.8361 3.8361 3.8387 3.8387 6.8250 6.8250 7.8741 7.8741 10.4848 10.4848 10.6381 10.6381 k = 0.0000 0.0000 0.1114 ( 4380 PWs) bands (ev): -11.9781 -11.9781 -11.9395 -11.9395 -10.2259 -10.2259 -10.1658 -10.1658 -3.1983 -3.1983 -3.1957 -3.1957 -3.0572 -3.0572 -3.0338 -3.0338 -2.6179 -2.6179 -2.5973 -2.5973 -2.2957 -2.2957 -2.2732 -2.2732 -2.2726 -2.2726 -2.2687 -2.2687 0.6500 0.6500 0.7111 0.7111 2.8697 2.8697 2.9632 2.9632 2.9663 2.9663 3.0597 3.0597 3.0599 3.0599 3.5613 3.5613 3.7434 3.7434 3.7467 3.7467 3.8307 3.8307 3.8332 3.8332 6.8900 6.8900 7.8046 7.8046 10.5028 10.5028 10.6344 10.6344 k = 0.0000 0.0000 0.1225 ( 4392 PWs) bands (ev): -11.9752 -11.9752 -11.9425 -11.9425 -10.2212 -10.2212 -10.1703 -10.1703 -3.1981 -3.1981 -3.1959 -3.1959 -3.0555 -3.0555 -3.0356 -3.0356 -2.6163 -2.6163 -2.5989 -2.5989 -2.2942 -2.2942 -2.2751 -2.2751 -2.2724 -2.2724 -2.2691 -2.2691 0.6540 0.6540 0.7057 0.7057 2.8767 2.8767 2.9584 2.9584 2.9698 2.9698 3.0515 3.0515 3.0942 3.0942 3.5184 3.5184 3.7509 3.7509 3.7540 3.7540 3.8248 3.8248 3.8272 3.8272 6.9587 6.9587 7.7318 7.7318 10.5203 10.5203 10.6300 10.6300 k = 0.0000 0.0000 0.1336 ( 4386 PWs) bands (ev): -11.9722 -11.9722 -11.9456 -11.9456 -10.2164 -10.2164 -10.1750 -10.1750 -3.1979 -3.1979 -3.1961 -3.1961 -3.0534 -3.0534 -3.0374 -3.0374 -2.6146 -2.6146 -2.6004 -2.6004 -2.2924 -2.2924 -2.2770 -2.2770 -2.2720 -2.2720 -2.2694 -2.2694 0.6583 0.6583 0.7002 0.7002 2.8840 2.8840 2.9502 2.9502 2.9769 2.9769 3.0431 3.0431 3.1309 3.1309 3.4744 3.4744 3.7585 3.7585 3.7615 3.7615 3.8184 3.8184 3.8209 3.8209 7.0308 7.0308 7.6562 7.6562 10.5369 10.5369 10.6245 10.6245 k = 0.0000 0.0000 0.1448 ( 4380 PWs) bands (ev): -11.9691 -11.9691 -11.9489 -11.9489 -10.2113 -10.2113 -10.1799 -10.1799 -3.1977 -3.1977 -3.1963 -3.1963 -3.0514 -3.0514 -3.0393 -3.0393 -2.6128 -2.6128 -2.6020 -2.6020 -2.2906 -2.2906 -2.2790 -2.2790 -2.2717 -2.2717 -2.2697 -2.2697 0.6628 0.6628 0.6946 0.6946 2.8917 2.8917 2.9418 2.9418 2.9843 2.9843 3.0345 3.0345 3.1697 3.1697 3.4297 3.4297 3.7663 3.7663 3.7692 3.7692 3.8117 3.8117 3.8142 3.8142 7.1056 7.1056 7.5787 7.5787 10.5524 10.5524 10.6180 10.6180 k = 0.0000 0.0000 0.1559 ( 4362 PWs) bands (ev): -11.9658 -11.9658 -11.9523 -11.9523 -10.2061 -10.2061 -10.1850 -10.1850 -3.1974 -3.1974 -3.1964 -3.1964 -3.0492 -3.0492 -3.0411 -3.0411 -2.6109 -2.6109 -2.6038 -2.6038 -2.2887 -2.2887 -2.2808 -2.2808 -2.2712 -2.2712 -2.2699 -2.2699 0.6677 0.6677 0.6890 0.6890 2.8996 2.8996 2.9332 2.9332 2.9922 2.9922 3.0259 3.0259 3.2103 3.2103 3.3848 3.3848 3.7742 3.7742 3.7769 3.7769 3.8047 3.8047 3.8071 3.8071 7.1824 7.1824 7.4998 7.4998 10.5667 10.5667 10.6104 10.6104 k = 0.0000 0.0000 0.1671 ( 4362 PWs) bands (ev): -11.9625 -11.9625 -11.9557 -11.9557 -10.2008 -10.2008 -10.1902 -10.1902 -3.1972 -3.1972 -3.1967 -3.1967 -3.0472 -3.0472 -3.0431 -3.0431 -2.6091 -2.6091 -2.6055 -2.6055 -2.2868 -2.2868 -2.2828 -2.2828 -2.2709 -2.2709 -2.2703 -2.2703 0.6727 0.6727 0.6834 0.6834 2.9078 2.9078 2.9247 2.9247 3.0003 3.0003 3.0173 3.0173 3.2524 3.2524 3.3400 3.3400 3.7821 3.7821 3.7847 3.7847 3.7973 3.7973 3.7998 3.7998 7.2609 7.2609 7.4201 7.4201 10.5796 10.5796 10.6015 10.6015 k = 0.0000 0.0000 0.1782 ( 4362 PWs) bands (ev): -11.9591 -11.9591 -11.9591 -11.9591 -10.1955 -10.1955 -10.1955 -10.1955 -3.1969 -3.1969 -3.1969 -3.1969 -3.0451 -3.0451 -3.0451 -3.0451 -2.6073 -2.6073 -2.6073 -2.6073 -2.2848 -2.2848 -2.2848 -2.2848 -2.2706 -2.2706 -2.2706 -2.2706 0.6780 0.6780 0.6780 0.6780 2.9162 2.9162 2.9162 2.9162 3.0087 3.0087 3.0087 3.0087 3.2958 3.2958 3.2958 3.2958 3.7898 3.7898 3.7898 3.7898 3.7923 3.7923 3.7923 3.7923 7.3403 7.3403 7.3403 7.3403 10.5912 10.5912 10.5912 10.5912 k = 0.0000 0.0000 0.1782 ( 4362 PWs) bands (ev): -11.9591 -11.9591 -11.9591 -11.9591 -10.1955 -10.1955 -10.1955 -10.1955 -3.1969 -3.1969 -3.1969 -3.1969 -3.0451 -3.0451 -3.0451 -3.0451 -2.6073 -2.6073 -2.6073 -2.6073 -2.2848 -2.2848 -2.2848 -2.2848 -2.2706 -2.2706 -2.2706 -2.2706 0.6780 0.6780 0.6780 0.6780 2.9162 2.9162 2.9162 2.9162 3.0087 3.0087 3.0087 3.0087 3.2958 3.2958 3.2958 3.2958 3.7898 3.7898 3.7898 3.7898 3.7923 3.7923 3.7923 3.7923 7.3403 7.3403 7.3403 7.3403 10.5912 10.5912 10.5912 10.5912 k = 0.0100 0.0058 0.1782 ( 4362 PWs) bands (ev): -11.9590 -11.9590 -11.9588 -11.9588 -10.1954 -10.1954 -10.1952 -10.1952 -3.1967 -3.1967 -3.1967 -3.1967 -3.0492 -3.0492 -3.0407 -3.0407 -2.6103 -2.6103 -2.6038 -2.6038 -2.2867 -2.2867 -2.2834 -2.2834 -2.2704 -2.2704 -2.2703 -2.2703 0.6772 0.6772 0.6792 0.6792 2.9103 2.9103 2.9157 2.9157 3.0051 3.0051 3.0053 3.0053 3.2978 3.2978 3.3008 3.3008 3.7881 3.7881 3.7884 3.7884 3.7916 3.7916 3.7919 3.7919 7.3423 7.3423 7.3435 7.3435 10.5930 10.5930 10.5957 10.5957 k = 0.0200 0.0115 0.1782 ( 4368 PWs) bands (ev): -11.9585 -11.9585 -11.9582 -11.9582 -10.1947 -10.1947 -10.1944 -10.1944 -3.1961 -3.1961 -3.1961 -3.1961 -3.0530 -3.0530 -3.0360 -3.0360 -2.6127 -2.6127 -2.5999 -2.5999 -2.2889 -2.2889 -2.2826 -2.2826 -2.2700 -2.2700 -2.2694 -2.2694 0.6767 0.6767 0.6809 0.6809 2.8973 2.8973 2.9085 2.9085 2.9954 2.9954 2.9966 2.9966 3.3065 3.3065 3.3119 3.3119 3.7825 3.7825 3.7834 3.7834 3.7902 3.7902 3.7912 3.7912 7.3495 7.3495 7.3520 7.3520 10.6009 10.6009 10.6064 10.6064 k = 0.0300 0.0173 0.1782 ( 4384 PWs) bands (ev): -11.9577 -11.9577 -11.9572 -11.9572 -10.1935 -10.1935 -10.1930 -10.1930 -3.1953 -3.1953 -3.1952 -3.1952 -3.0564 -3.0564 -3.0309 -3.0309 -2.6146 -2.6146 -2.5955 -2.5955 -2.2912 -2.2912 -2.2826 -2.2826 -2.2696 -2.2696 -2.2678 -2.2678 0.6767 0.6767 0.6829 0.6829 2.8765 2.8765 2.8932 2.8932 2.9828 2.9828 2.9855 2.9855 3.3196 3.3196 3.3268 3.3268 3.7732 3.7732 3.7748 3.7748 3.7885 3.7885 3.7901 3.7901 7.3620 7.3620 7.3656 7.3656 10.6149 10.6149 10.6232 10.6232 k = 0.0400 0.0231 0.1782 ( 4386 PWs) bands (ev): -11.9565 -11.9565 -11.9559 -11.9559 -10.1919 -10.1919 -10.1912 -10.1912 -3.1939 -3.1939 -3.1938 -3.1938 -3.0593 -3.0593 -3.0256 -3.0256 -2.6158 -2.6158 -2.5906 -2.5906 -2.2935 -2.2935 -2.2833 -2.2833 -2.2690 -2.2690 -2.2654 -2.2654 0.6770 0.6770 0.6853 0.6853 2.8479 2.8479 2.8690 2.8690 2.9704 2.9704 2.9743 2.9743 3.3350 3.3350 3.3434 3.3434 3.7607 3.7607 3.7630 3.7630 3.7864 3.7864 3.7886 3.7886 7.3794 7.3794 7.3843 7.3843 10.6349 10.6349 10.6460 10.6460 k = 0.0500 0.0289 0.1782 ( 4386 PWs) bands (ev): -11.9549 -11.9549 -11.9542 -11.9542 -10.1897 -10.1897 -10.1888 -10.1888 -3.1922 -3.1922 -3.1919 -3.1919 -3.0619 -3.0619 -3.0199 -3.0199 -2.6164 -2.6164 -2.5853 -2.5853 -2.2958 -2.2958 -2.2843 -2.2843 -2.2684 -2.2684 -2.2625 -2.2625 0.6777 0.6777 0.6880 0.6880 2.8124 2.8124 2.8366 2.8366 2.9592 2.9592 2.9635 2.9635 3.3505 3.3505 3.3595 3.3595 3.7457 3.7457 3.7487 3.7487 3.7839 3.7839 3.7867 3.7867 7.4018 7.4018 7.4077 7.4077 10.6605 10.6605 10.6746 10.6746 k = 0.0600 0.0346 0.1782 ( 4386 PWs) bands (ev): -11.9530 -11.9530 -11.9521 -11.9521 -10.1870 -10.1870 -10.1860 -10.1860 -3.1901 -3.1901 -3.1896 -3.1896 -3.0641 -3.0641 -3.0140 -3.0140 -2.6164 -2.6164 -2.5797 -2.5797 -2.2980 -2.2980 -2.2857 -2.2857 -2.2678 -2.2678 -2.2593 -2.2593 0.6787 0.6787 0.6909 0.6909 2.7717 2.7717 2.7980 2.7980 2.9489 2.9489 2.9529 2.9529 3.3643 3.3643 3.3737 3.3737 3.7289 3.7289 3.7327 3.7327 3.7810 3.7810 3.7843 3.7843 7.4287 7.4287 7.4358 7.4358 10.6916 10.6916 10.7087 10.7087 k = 0.0700 0.0404 0.1782 ( 4390 PWs) bands (ev): -11.9508 -11.9508 -11.9497 -11.9497 -10.1839 -10.1839 -10.1827 -10.1827 -3.1877 -3.1877 -3.1870 -3.1870 -3.0658 -3.0658 -3.0079 -3.0079 -2.6157 -2.6157 -2.5738 -2.5738 -2.3003 -2.3003 -2.2872 -2.2872 -2.2672 -2.2672 -2.2558 -2.2558 0.6799 0.6799 0.6941 0.6941 2.7270 2.7270 2.7547 2.7547 2.9385 2.9385 2.9420 2.9420 3.3748 3.3748 3.3845 3.3845 3.7113 3.7113 3.7159 3.7159 3.7777 3.7777 3.7815 3.7815 7.4600 7.4600 7.4681 7.4681 10.7276 10.7276 10.7481 10.7481 k = 0.0800 0.0462 0.1782 ( 4386 PWs) bands (ev): -11.9482 -11.9482 -11.9470 -11.9470 -10.1802 -10.1802 -10.1789 -10.1789 -3.1849 -3.1849 -3.1838 -3.1838 -3.0671 -3.0671 -3.0015 -3.0015 -2.6144 -2.6144 -2.5675 -2.5675 -2.3025 -2.3025 -2.2889 -2.2889 -2.2665 -2.2665 -2.2521 -2.2521 0.6814 0.6814 0.6974 0.6974 2.6793 2.6793 2.7082 2.7082 2.9277 2.9277 2.9307 2.9307 3.3805 3.3805 3.3902 3.3902 3.6944 3.6944 3.6998 3.6998 3.7740 3.7740 3.7783 3.7783 7.4954 7.4954 7.5045 7.5045 10.7683 10.7683 10.7922 10.7922 k = 0.0900 0.0520 0.1782 ( 4394 PWs) bands (ev): -11.9454 -11.9454 -11.9440 -11.9440 -10.1761 -10.1761 -10.1746 -10.1746 -3.1819 -3.1819 -3.1803 -3.1803 -3.0681 -3.0681 -2.9950 -2.9950 -2.6124 -2.6124 -2.5610 -2.5610 -2.3048 -2.3048 -2.2907 -2.2907 -2.2659 -2.2659 -2.2482 -2.2482 0.6829 0.6829 0.7007 0.7007 2.6294 2.6294 2.6593 2.6593 2.9162 2.9162 2.9186 2.9186 3.3799 3.3799 3.3895 3.3895 3.6795 3.6795 3.6856 3.6856 3.7699 3.7699 3.7747 3.7747 7.5345 7.5345 7.5445 7.5445 10.8132 10.8132 10.8408 10.8408 k = 0.1000 0.0577 0.1782 ( 4384 PWs) bands (ev): -11.9422 -11.9422 -11.9407 -11.9407 -10.1715 -10.1715 -10.1699 -10.1699 -3.1785 -3.1785 -3.1764 -3.1764 -3.0686 -3.0686 -2.9883 -2.9883 -2.6097 -2.6097 -2.5544 -2.5544 -2.3069 -2.3069 -2.2924 -2.2924 -2.2650 -2.2650 -2.2441 -2.2441 0.6845 0.6845 0.7041 0.7041 2.5778 2.5778 2.6085 2.6085 2.9038 2.9038 2.9056 2.9056 3.3721 3.3721 3.3812 3.3812 3.6681 3.6681 3.6746 3.6746 3.7656 3.7656 3.7709 3.7709 7.5770 7.5770 7.5879 7.5879 10.8616 10.8616 10.8932 10.8932 k = 0.1100 0.0635 0.1782 ( 4392 PWs) bands (ev): -11.9387 -11.9387 -11.9372 -11.9372 -10.1665 -10.1665 -10.1647 -10.1647 -3.1749 -3.1749 -3.1721 -3.1721 -3.0687 -3.0687 -2.9815 -2.9815 -2.6066 -2.6066 -2.5477 -2.5477 -2.3091 -2.3091 -2.2941 -2.2941 -2.2641 -2.2641 -2.2398 -2.2398 0.6860 0.6860 0.7072 0.7072 2.5251 2.5251 2.5564 2.5564 2.8905 2.8905 2.8918 2.8918 3.3565 3.3565 3.3647 3.3647 3.6608 3.6608 3.6674 3.6674 3.7610 3.7610 3.7667 3.7667 7.6226 7.6226 7.6343 7.6343 10.9130 10.9130 10.9489 10.9489 k = 0.1200 0.0693 0.1782 ( 4398 PWs) bands (ev): -11.9350 -11.9350 -11.9333 -11.9333 -10.1610 -10.1610 -10.1591 -10.1591 -3.1711 -3.1711 -3.1676 -3.1676 -3.0684 -3.0684 -2.9746 -2.9746 -2.6027 -2.6027 -2.5409 -2.5409 -2.3114 -2.3114 -2.2957 -2.2957 -2.2630 -2.2630 -2.2354 -2.2354 0.6873 0.6873 0.7102 0.7102 2.4715 2.4715 2.5034 2.5034 2.8761 2.8761 2.8769 2.8769 3.3335 3.3335 3.3406 3.3406 3.6575 3.6575 3.6639 3.6639 3.7562 3.7562 3.7624 3.7624 7.6709 7.6709 7.6833 7.6833 10.9667 10.9667 11.0073 11.0073 k = 0.1300 0.0751 0.1782 ( 4402 PWs) bands (ev): -11.9311 -11.9311 -11.9292 -11.9292 -10.1551 -10.1551 -10.1531 -10.1531 -3.1670 -3.1670 -3.1626 -3.1626 -3.0676 -3.0676 -2.9675 -2.9675 -2.5982 -2.5982 -2.5342 -2.5342 -2.3136 -2.3136 -2.2972 -2.2972 -2.2617 -2.2617 -2.2309 -2.2309 0.6884 0.6884 0.7127 0.7127 2.4176 2.4176 2.4499 2.4499 2.8607 2.8607 2.8611 2.8611 3.3041 3.3041 3.3100 3.3100 3.6574 3.6574 3.6635 3.6635 3.7513 3.7513 3.7578 3.7578 7.7216 7.7216 7.7345 7.7345 11.0218 11.0218 11.0677 11.0677 k = 0.1400 0.0808 0.1782 ( 4414 PWs) bands (ev): -11.9269 -11.9269 -11.9249 -11.9249 -10.1488 -10.1488 -10.1466 -10.1466 -3.1628 -3.1628 -3.1574 -3.1574 -3.0665 -3.0665 -2.9605 -2.9605 -2.5932 -2.5932 -2.5275 -2.5275 -2.3160 -2.3160 -2.2984 -2.2984 -2.2602 -2.2602 -2.2264 -2.2264 0.6891 0.6891 0.7148 0.7148 2.3634 2.3634 2.3960 2.3960 2.8444 2.8444 2.8444 2.8444 3.2697 3.2697 3.2742 3.2742 3.6594 3.6594 3.6652 3.6652 3.7462 3.7462 3.7530 3.7530 7.7742 7.7742 7.7877 7.7877 11.0776 11.0776 11.1291 11.1291 k = 0.1500 0.0866 0.1782 ( 4410 PWs) bands (ev): -11.9224 -11.9224 -11.9204 -11.9204 -10.1421 -10.1421 -10.1398 -10.1398 -3.1583 -3.1583 -3.1519 -3.1519 -3.0648 -3.0648 -2.9533 -2.9533 -2.5876 -2.5876 -2.5210 -2.5210 -2.3182 -2.3182 -2.2993 -2.2993 -2.2585 -2.2585 -2.2216 -2.2216 0.6893 0.6893 0.7163 0.7163 2.3094 2.3094 2.3421 2.3421 2.8267 2.8267 2.8270 2.8270 3.2315 3.2315 3.2347 3.2347 3.6626 3.6626 3.6681 3.6681 3.7411 3.7411 3.7482 3.7482 7.8285 7.8285 7.8424 7.8424 11.1330 11.1330 11.1908 11.1908 k = 0.1600 0.0924 0.1782 ( 4408 PWs) bands (ev): -11.9178 -11.9178 -11.9157 -11.9157 -10.1350 -10.1350 -10.1325 -10.1325 -3.1537 -3.1537 -3.1462 -3.1462 -3.0626 -3.0626 -2.9461 -2.9461 -2.5814 -2.5814 -2.5147 -2.5147 -2.3203 -2.3203 -2.2998 -2.2998 -2.2564 -2.2564 -2.2167 -2.2167 0.6889 0.6889 0.7170 0.7170 2.2558 2.2558 2.2884 2.2884 2.8082 2.8082 2.8088 2.8088 3.1906 3.1906 3.1926 3.1926 3.6662 3.6662 3.6714 3.6714 3.7360 3.7360 3.7433 3.7433 7.8840 7.8840 7.8983 7.8983 11.1871 11.1871 11.2518 11.2518 k = 0.1700 0.0981 0.1782 ( 4400 PWs) bands (ev): -11.9131 -11.9131 -11.9108 -11.9108 -10.1275 -10.1275 -10.1249 -10.1249 -3.1490 -3.1490 -3.1405 -3.1405 -3.0599 -3.0599 -2.9388 -2.9388 -2.5748 -2.5748 -2.5088 -2.5088 -2.3224 -2.3224 -2.2998 -2.2998 -2.2540 -2.2540 -2.2116 -2.2116 0.6878 0.6878 0.7168 0.7168 2.2027 2.2027 2.2350 2.2350 2.7888 2.7888 2.7897 2.7897 3.1480 3.1480 3.1486 3.1486 3.6699 3.6699 3.6747 3.6747 3.7310 3.7310 3.7384 3.7384 7.9404 7.9404 7.9550 7.9550 11.2387 11.2387 11.3108 11.3108 k = 0.1800 0.1039 0.1782 ( 4402 PWs) bands (ev): -11.9081 -11.9081 -11.9058 -11.9058 -10.1197 -10.1197 -10.1170 -10.1170 -3.1443 -3.1443 -3.1347 -3.1347 -3.0566 -3.0566 -2.9316 -2.9316 -2.5678 -2.5678 -2.5034 -2.5034 -2.3245 -2.3245 -2.2992 -2.2992 -2.2514 -2.2514 -2.2066 -2.2066 0.6859 0.6859 0.7157 0.7157 2.1503 2.1503 2.1822 2.1822 2.7686 2.7686 2.7698 2.7698 3.1037 3.1037 3.1043 3.1043 3.6731 3.6731 3.6776 3.6776 3.7261 3.7261 3.7335 3.7335 7.9975 7.9975 8.0123 8.0123 11.2866 11.2866 11.3667 11.3667 k = 0.1900 0.1097 0.1782 ( 4410 PWs) bands (ev): -11.9031 -11.9031 -11.9007 -11.9007 -10.1116 -10.1116 -10.1088 -10.1088 -3.1397 -3.1397 -3.1292 -3.1292 -3.0528 -3.0528 -2.9244 -2.9244 -2.5605 -2.5605 -2.4985 -2.4985 -2.3264 -2.3264 -2.2980 -2.2980 -2.2485 -2.2485 -2.2015 -2.2015 0.6829 0.6829 0.7133 0.7133 2.0987 2.0987 2.1301 2.1301 2.7476 2.7476 2.7491 2.7491 3.0586 3.0586 3.0603 3.0603 3.6756 3.6756 3.6797 3.6797 3.7213 3.7213 3.7286 3.7286 8.0547 8.0547 8.0696 8.0696 11.3297 11.3297 11.4182 11.4182 k = 0.2000 0.1155 0.1782 ( 4406 PWs) bands (ev): -11.8979 -11.8979 -11.8955 -11.8955 -10.1031 -10.1031 -10.1003 -10.1003 -3.1349 -3.1349 -3.1237 -3.1237 -3.0481 -3.0481 -2.9172 -2.9172 -2.5529 -2.5529 -2.4942 -2.4942 -2.3282 -2.3282 -2.2960 -2.2960 -2.2451 -2.2451 -2.1963 -2.1963 0.6790 0.6790 0.7098 0.7098 2.0481 2.0481 2.0787 2.0787 2.7260 2.7260 2.7278 2.7278 3.0137 3.0137 3.0165 3.0165 3.6774 3.6774 3.6809 3.6809 3.7168 3.7168 3.7238 3.7238 8.1119 8.1119 8.1268 8.1268 11.3667 11.3667 11.4639 11.4639 k = 0.2100 0.1212 0.1782 ( 4402 PWs) bands (ev): -11.8927 -11.8927 -11.8902 -11.8902 -10.0944 -10.0944 -10.0915 -10.0915 -3.1302 -3.1302 -3.1185 -3.1185 -3.0428 -3.0428 -2.9100 -2.9100 -2.5450 -2.5450 -2.4905 -2.4905 -2.3296 -2.3296 -2.2933 -2.2933 -2.2415 -2.2415 -2.1911 -2.1911 0.6739 0.6739 0.7049 0.7049 1.9986 1.9986 2.0281 2.0281 2.7038 2.7038 2.7058 2.7058 2.9696 2.9696 2.9735 2.9735 3.6782 3.6782 3.6810 3.6810 3.7126 3.7126 3.7192 3.7192 8.1686 8.1686 8.1835 8.1835 11.3967 11.3967 11.5025 11.5025 k = 0.2200 0.1270 0.1782 ( 4398 PWs) bands (ev): -11.8874 -11.8874 -11.8849 -11.8849 -10.0855 -10.0855 -10.0825 -10.0825 -3.1256 -3.1256 -3.1136 -3.1136 -3.0367 -3.0367 -2.9029 -2.9029 -2.5371 -2.5371 -2.4876 -2.4876 -2.3308 -2.3308 -2.2896 -2.2896 -2.2375 -2.2375 -2.1859 -2.1859 0.6676 0.6676 0.6987 0.6987 1.9500 1.9500 1.9784 1.9784 2.6811 2.6811 2.6834 2.6834 2.9269 2.9269 2.9318 2.9318 3.6781 3.6781 3.6800 3.6800 3.7087 3.7087 3.7147 3.7147 8.2246 8.2246 8.2394 8.2394 11.4189 11.4189 11.5328 11.5328 k = 0.2300 0.1328 0.1782 ( 4396 PWs) bands (ev): -11.8820 -11.8820 -11.8795 -11.8795 -10.0763 -10.0763 -10.0733 -10.0733 -3.1211 -3.1211 -3.1093 -3.1093 -3.0298 -3.0298 -2.8959 -2.8959 -2.5291 -2.5291 -2.4853 -2.4853 -2.3316 -2.3316 -2.2852 -2.2852 -2.2331 -2.2331 -2.1806 -2.1806 0.6601 0.6601 0.6910 0.6910 1.9025 1.9025 1.9295 1.9295 2.6579 2.6579 2.6605 2.6605 2.8859 2.8859 2.8917 2.8917 3.6769 3.6769 3.6780 3.6780 3.7051 3.7051 3.7102 3.7102 8.2796 8.2796 8.2941 8.2941 11.4329 11.4329 11.5539 11.5539 k = 0.2400 0.1386 0.1782 ( 4402 PWs) bands (ev): -11.8767 -11.8767 -11.8741 -11.8741 -10.0670 -10.0670 -10.0639 -10.0639 -3.1168 -3.1168 -3.1054 -3.1054 -3.0223 -3.0223 -2.8891 -2.8891 -2.5213 -2.5213 -2.4838 -2.4838 -2.3320 -2.3320 -2.2800 -2.2800 -2.2285 -2.2285 -2.1754 -2.1754 0.6513 0.6513 0.6819 0.6819 1.8559 1.8559 1.8815 1.8815 2.6343 2.6343 2.6373 2.6373 2.8471 2.8471 2.8538 2.8538 3.6749 3.6749 3.6751 3.6751 3.7014 3.7014 3.7059 3.7059 8.3332 8.3332 8.3475 8.3475 11.4386 11.4386 11.5653 11.5653 k = 0.2500 0.1443 0.1782 ( 4398 PWs) bands (ev): -11.8714 -11.8714 -11.8688 -11.8688 -10.0575 -10.0575 -10.0544 -10.0544 -3.1127 -3.1127 -3.1019 -3.1019 -3.0140 -3.0140 -2.8823 -2.8823 -2.5137 -2.5137 -2.4829 -2.4829 -2.3318 -2.3318 -2.2741 -2.2741 -2.2233 -2.2233 -2.1702 -2.1702 0.6414 0.6414 0.6714 0.6714 1.8102 1.8102 1.8342 1.8342 2.6105 2.6105 2.6138 2.6138 2.8107 2.8107 2.8182 2.8182 3.6715 3.6715 3.6721 3.6721 3.6976 3.6976 3.7015 3.7015 8.3853 8.3853 8.3992 8.3992 11.4363 11.4363 11.5671 11.5671 k = 0.2600 0.1501 0.1782 ( 4382 PWs) bands (ev): -11.8660 -11.8660 -11.8634 -11.8634 -10.0479 -10.0479 -10.0448 -10.0448 -3.1087 -3.1087 -3.0988 -3.0988 -3.0051 -3.0051 -2.8756 -2.8756 -2.5063 -2.5063 -2.4825 -2.4825 -2.3309 -2.3309 -2.2674 -2.2674 -2.2178 -2.2178 -2.1649 -2.1649 0.6304 0.6304 0.6597 0.6597 1.7654 1.7654 1.7877 1.7877 2.5866 2.5866 2.5902 2.5902 2.7773 2.7773 2.7853 2.7853 3.6675 3.6675 3.6685 3.6685 3.6935 3.6935 3.6970 3.6970 8.4355 8.4355 8.4490 8.4490 11.4269 11.4269 11.5600 11.5600 k = 0.2700 0.1559 0.1782 ( 4382 PWs) bands (ev): -11.8608 -11.8608 -11.8582 -11.8582 -10.0382 -10.0382 -10.0351 -10.0351 -3.1050 -3.1050 -3.0962 -3.0962 -2.9958 -2.9958 -2.8692 -2.8692 -2.4994 -2.4994 -2.4827 -2.4827 -2.3293 -2.3293 -2.2603 -2.2603 -2.2121 -2.2121 -2.1597 -2.1597 0.6183 0.6183 0.6467 0.6467 1.7211 1.7211 1.7418 1.7418 2.5626 2.5626 2.5666 2.5666 2.7468 2.7468 2.7553 2.7553 3.6631 3.6631 3.6643 3.6643 3.6890 3.6890 3.6923 3.6923 8.4836 8.4836 8.4967 8.4967 11.4114 11.4114 11.5449 11.5449 k = 0.2800 0.1617 0.1782 ( 4372 PWs) bands (ev): -11.8556 -11.8556 -11.8530 -11.8530 -10.0285 -10.0285 -10.0254 -10.0254 -3.1015 -3.1015 -3.0939 -3.0939 -2.9860 -2.9860 -2.8630 -2.8630 -2.4931 -2.4931 -2.4832 -2.4832 -2.3269 -2.3269 -2.2527 -2.2527 -2.2059 -2.2059 -2.1545 -2.1545 0.6052 0.6052 0.6327 0.6327 1.6775 1.6775 1.6965 1.6965 2.5388 2.5388 2.5431 2.5431 2.7195 2.7195 2.7283 2.7283 3.6583 3.6583 3.6596 3.6596 3.6841 3.6841 3.6875 3.6875 8.5294 8.5294 8.5420 8.5420 11.3908 11.3908 11.5231 11.5231 k = 0.2900 0.1674 0.1782 ( 4372 PWs) bands (ev): -11.8505 -11.8505 -11.8479 -11.8479 -10.0188 -10.0188 -10.0157 -10.0157 -3.0984 -3.0984 -3.0920 -3.0920 -2.9760 -2.9760 -2.8571 -2.8571 -2.4874 -2.4874 -2.4841 -2.4841 -2.3237 -2.3237 -2.2449 -2.2449 -2.1994 -2.1994 -2.1493 -2.1493 0.5914 0.5914 0.6179 0.6179 1.6344 1.6344 1.6517 1.6517 2.5151 2.5151 2.5198 2.5198 2.6956 2.6956 2.7046 2.7046 3.6533 3.6533 3.6543 3.6543 3.6789 3.6789 3.6825 3.6825 8.5727 8.5727 8.5848 8.5848 11.3664 11.3664 11.4962 11.4962 k = 0.3000 0.1732 0.1782 ( 4376 PWs) bands (ev): -11.8455 -11.8455 -11.8430 -11.8430 -10.0091 -10.0091 -10.0061 -10.0061 -3.0956 -3.0956 -3.0904 -3.0904 -2.9658 -2.9658 -2.8515 -2.8515 -2.4852 -2.4852 -2.4825 -2.4825 -2.3197 -2.3197 -2.2370 -2.2370 -2.1927 -2.1927 -2.1441 -2.1441 0.5770 0.5770 0.6023 0.6023 1.5917 1.5917 1.6075 1.6075 2.4919 2.4919 2.4968 2.4968 2.6749 2.6749 2.6841 2.6841 3.6478 3.6478 3.6485 3.6485 3.6733 3.6733 3.6774 3.6774 8.6134 8.6134 8.6250 8.6250 11.3392 11.3392 11.4654 11.4654 k = 0.3100 0.1790 0.1782 ( 4376 PWs) bands (ev): -11.8406 -11.8406 -11.8381 -11.8381 -9.9995 -9.9995 -9.9966 -9.9966 -3.0931 -3.0931 -3.0891 -3.0891 -2.9556 -2.9556 -2.8461 -2.8461 -2.4864 -2.4864 -2.4782 -2.4782 -2.3148 -2.3148 -2.2290 -2.2290 -2.1856 -2.1856 -2.1388 -2.1388 0.5621 0.5621 0.5863 0.5863 1.5495 1.5495 1.5638 1.5638 2.4691 2.4691 2.4742 2.4742 2.6576 2.6576 2.6668 2.6668 3.6419 3.6419 3.6421 3.6421 3.6678 3.6678 3.6723 3.6723 8.6513 8.6513 8.6623 8.6623 11.3104 11.3104 11.4321 11.4321 k = 0.3200 0.1848 0.1782 ( 4378 PWs) bands (ev): -11.8359 -11.8359 -11.8335 -11.8335 -9.9901 -9.9901 -9.9872 -9.9872 -3.0910 -3.0910 -3.0880 -3.0880 -2.9453 -2.9453 -2.8412 -2.8412 -2.4876 -2.4876 -2.4746 -2.4746 -2.3092 -2.3092 -2.2213 -2.2213 -2.1783 -2.1783 -2.1334 -2.1334 0.5470 0.5470 0.5700 0.5700 1.5078 1.5078 1.5207 1.5207 2.4469 2.4469 2.4521 2.4521 2.6435 2.6435 2.6526 2.6526 3.6351 3.6351 3.6354 3.6354 3.6623 3.6623 3.6673 3.6673 8.6864 8.6864 8.6968 8.6968 11.2807 11.2807 11.3974 11.3974 k = 0.3300 0.1905 0.1782 ( 4382 PWs) bands (ev): -11.8313 -11.8313 -11.8290 -11.8290 -9.9808 -9.9808 -9.9780 -9.9780 -3.0891 -3.0891 -3.0872 -3.0872 -2.9352 -2.9352 -2.8366 -2.8366 -2.4888 -2.4888 -2.4717 -2.4717 -2.3029 -2.3029 -2.2139 -2.2139 -2.1707 -2.1707 -2.1280 -2.1280 0.5318 0.5318 0.5536 0.5536 1.4666 1.4666 1.4784 1.4784 2.4253 2.4253 2.4305 2.4305 2.6324 2.6324 2.6414 2.6414 3.6274 3.6274 3.6283 3.6283 3.6570 3.6570 3.6626 3.6626 8.7185 8.7185 8.7283 8.7283 11.2510 11.2510 11.3621 11.3621 k = 0.3400 0.1963 0.1782 ( 4378 PWs) bands (ev): -11.8269 -11.8269 -11.8247 -11.8247 -9.9718 -9.9718 -9.9691 -9.9691 -3.0875 -3.0875 -3.0865 -3.0865 -2.9251 -2.9251 -2.8324 -2.8324 -2.4898 -2.4898 -2.4693 -2.4693 -2.2960 -2.2960 -2.2069 -2.2069 -2.1628 -2.1628 -2.1223 -2.1223 0.5168 0.5168 0.5374 0.5374 1.4261 1.4261 1.4368 1.4368 2.4045 2.4045 2.4096 2.4096 2.6243 2.6243 2.6331 2.6331 3.6192 3.6192 3.6204 3.6204 3.6522 3.6522 3.6580 3.6580 8.7478 8.7478 8.7570 8.7570 11.2218 11.2218 11.3269 11.3269 k = 0.3500 0.2021 0.1782 ( 4386 PWs) bands (ev): -11.8227 -11.8227 -11.8206 -11.8206 -9.9630 -9.9630 -9.9604 -9.9604 -3.0862 -3.0862 -3.0860 -3.0860 -2.9155 -2.9155 -2.8287 -2.8287 -2.4907 -2.4907 -2.4674 -2.4674 -2.2888 -2.2888 -2.2006 -2.2006 -2.1549 -2.1549 -2.1166 -2.1166 0.5021 0.5021 0.5214 0.5214 1.3864 1.3864 1.3962 1.3962 2.3845 2.3845 2.3894 2.3894 2.6188 2.6188 2.6274 2.6274 3.6104 3.6104 3.6118 3.6118 3.6479 3.6479 3.6538 3.6538 8.7741 8.7741 8.7828 8.7828 11.1935 11.1935 11.2925 11.2925 k = 0.3600 0.2078 0.1782 ( 4386 PWs) bands (ev): -11.8187 -11.8187 -11.8167 -11.8167 -9.9545 -9.9545 -9.9520 -9.9520 -3.0856 -3.0856 -3.0851 -3.0851 -2.9061 -2.9061 -2.8254 -2.8254 -2.4913 -2.4913 -2.4659 -2.4659 -2.2812 -2.2812 -2.1949 -2.1949 -2.1467 -2.1467 -2.1107 -2.1107 0.4878 0.4878 0.5060 0.5060 1.3478 1.3478 1.3567 1.3567 2.3653 2.3653 2.3701 2.3701 2.6157 2.6157 2.6240 2.6240 3.6012 3.6012 3.6026 3.6026 3.6439 3.6439 3.6498 3.6498 8.7977 8.7977 8.8057 8.8057 11.1667 11.1667 11.2593 11.2593 k = 0.3700 0.2136 0.1782 ( 4388 PWs) bands (ev): -11.8149 -11.8149 -11.8130 -11.8130 -9.9464 -9.9464 -9.9440 -9.9440 -3.0854 -3.0854 -3.0843 -3.0843 -2.8971 -2.8971 -2.8226 -2.8226 -2.4917 -2.4917 -2.4649 -2.4649 -2.2734 -2.2734 -2.1899 -2.1899 -2.1385 -2.1385 -2.1047 -2.1047 0.4742 0.4742 0.4912 0.4912 1.3104 1.3104 1.3186 1.3186 2.3471 2.3471 2.3516 2.3516 2.6148 2.6148 2.6228 2.6228 3.5916 3.5916 3.5931 3.5931 3.6404 3.6404 3.6461 3.6461 8.8185 8.8185 8.8260 8.8260 11.1415 11.1415 11.2276 11.2276 k = 0.3800 0.2194 0.1782 ( 4384 PWs) bands (ev): -11.8114 -11.8114 -11.8095 -11.8095 -9.9387 -9.9387 -9.9364 -9.9364 -3.0853 -3.0853 -3.0837 -3.0837 -2.8885 -2.8885 -2.8203 -2.8203 -2.4917 -2.4917 -2.4641 -2.4641 -2.2655 -2.2655 -2.1857 -2.1857 -2.1303 -2.1303 -2.0987 -2.0987 0.4613 0.4613 0.4772 0.4772 1.2744 1.2744 1.2820 1.2820 2.3300 2.3300 2.3342 2.3342 2.6157 2.6157 2.6233 2.6233 3.5819 3.5819 3.5833 3.5833 3.6373 3.6373 3.6427 3.6427 8.8367 8.8367 8.8436 8.8436 11.1182 11.1182 11.1977 11.1977 k = 0.3900 0.2252 0.1782 ( 4382 PWs) bands (ev): -11.8080 -11.8080 -11.8063 -11.8063 -9.9314 -9.9314 -9.9293 -9.9293 -3.0852 -3.0852 -3.0833 -3.0833 -2.8804 -2.8804 -2.8184 -2.8184 -2.4914 -2.4914 -2.4636 -2.4636 -2.2577 -2.2577 -2.1823 -2.1823 -2.1221 -2.1221 -2.0927 -2.0927 0.4493 0.4493 0.4640 0.4640 1.2402 1.2402 1.2471 1.2471 2.3139 2.3139 2.3177 2.3177 2.6182 2.6182 2.6253 2.6253 3.5721 3.5721 3.5734 3.5734 3.6344 3.6344 3.6396 3.6396 8.8525 8.8525 8.8589 8.8589 11.0968 11.0968 11.1697 11.1697 k = 0.4000 0.2309 0.1782 ( 4374 PWs) bands (ev): -11.8050 -11.8050 -11.8034 -11.8034 -9.9245 -9.9245 -9.9226 -9.9226 -3.0852 -3.0852 -3.0831 -3.0831 -2.8727 -2.8727 -2.8169 -2.8169 -2.4908 -2.4908 -2.4634 -2.4634 -2.2499 -2.2499 -2.1796 -2.1796 -2.1140 -2.1140 -2.0869 -2.0869 0.4383 0.4383 0.4519 0.4519 1.2079 1.2079 1.2143 1.2143 2.2989 2.2989 2.3025 2.3025 2.6219 2.6219 2.6284 2.6284 3.5624 3.5624 3.5635 3.5635 3.6319 3.6319 3.6367 3.6367 8.8660 8.8660 8.8719 8.8719 11.0776 11.0776 11.1438 11.1438 k = 0.4100 0.2367 0.1782 ( 4370 PWs) bands (ev): -11.8022 -11.8022 -11.8007 -11.8007 -9.9182 -9.9182 -9.9165 -9.9165 -3.0852 -3.0852 -3.0830 -3.0830 -2.8657 -2.8657 -2.8159 -2.8159 -2.4898 -2.4898 -2.4634 -2.4634 -2.2423 -2.2423 -2.1777 -2.1777 -2.1062 -2.1062 -2.0814 -2.0814 0.4284 0.4284 0.4407 0.4407 1.1777 1.1777 1.1836 1.1836 2.2852 2.2852 2.2884 2.2884 2.6264 2.6264 2.6324 2.6324 3.5529 3.5529 3.5539 3.5539 3.6297 3.6297 3.6341 3.6341 8.8775 8.8775 8.8828 8.8828 11.0605 11.0605 11.1200 11.1200 k = 0.4200 0.2425 0.1782 ( 4366 PWs) bands (ev): -11.7996 -11.7996 -11.7983 -11.7983 -9.9125 -9.9125 -9.9109 -9.9109 -3.0852 -3.0852 -3.0831 -3.0831 -2.8591 -2.8591 -2.8153 -2.8153 -2.4886 -2.4886 -2.4637 -2.4637 -2.2350 -2.2350 -2.1766 -2.1766 -2.0988 -2.0988 -2.0763 -2.0763 0.4195 0.4195 0.4307 0.4307 1.1500 1.1500 1.1554 1.1554 2.2727 2.2727 2.2756 2.2756 2.6316 2.6316 2.6370 2.6370 3.5439 3.5439 3.5447 3.5447 3.6278 3.6278 3.6317 3.6317 8.8871 8.8871 8.8919 8.8919 11.0456 11.0456 11.0984 11.0984 k = 0.4300 0.2483 0.1782 ( 4366 PWs) bands (ev): -11.7973 -11.7973 -11.7962 -11.7962 -9.9073 -9.9073 -9.9059 -9.9059 -3.0853 -3.0853 -3.0832 -3.0832 -2.8531 -2.8531 -2.8152 -2.8152 -2.4871 -2.4871 -2.4642 -2.4642 -2.2280 -2.2280 -2.1761 -2.1761 -2.0917 -2.0917 -2.0718 -2.0718 0.4118 0.4118 0.4217 0.4217 1.1250 1.1250 1.1298 1.1298 2.2616 2.2616 2.2641 2.2641 2.6370 2.6370 2.6418 2.6418 3.5354 3.5354 3.5361 3.5361 3.6261 3.6261 3.6296 3.6296 8.8951 8.8951 8.8993 8.8993 11.0328 11.0328 11.0790 11.0790 k = 0.4400 0.2540 0.1782 ( 4358 PWs) bands (ev): -11.7954 -11.7954 -11.7944 -11.7944 -9.9027 -9.9027 -9.9015 -9.9015 -3.0854 -3.0854 -3.0834 -3.0834 -2.8476 -2.8476 -2.8154 -2.8154 -2.4854 -2.4854 -2.4648 -2.4648 -2.2213 -2.2213 -2.1763 -2.1763 -2.0852 -2.0852 -2.0677 -2.0677 0.4052 0.4052 0.4139 0.4139 1.1028 1.1028 1.1070 1.1070 2.2519 2.2519 2.2541 2.2541 2.6424 2.6424 2.6466 2.6466 3.5276 3.5276 3.5282 3.5282 3.6247 3.6247 3.6278 3.6278 8.9016 8.9016 8.9052 8.9052 11.0223 11.0223 11.0618 11.0618 k = 0.4500 0.2598 0.1782 ( 4360 PWs) bands (ev): -11.7936 -11.7936 -11.7928 -11.7928 -9.8988 -9.8988 -9.8978 -9.8978 -3.0854 -3.0854 -3.0837 -3.0837 -2.8427 -2.8427 -2.8161 -2.8161 -2.4836 -2.4836 -2.4658 -2.4658 -2.2149 -2.2149 -2.1771 -2.1771 -2.0792 -2.0792 -2.0645 -2.0645 0.3998 0.3998 0.4072 0.4072 1.0837 1.0837 1.0873 1.0873 2.2436 2.2436 2.2454 2.2454 2.6476 2.6476 2.6511 2.6511 3.5207 3.5207 3.5212 3.5212 3.6236 3.6236 3.6261 3.6261 8.9068 8.9068 8.9098 8.9098 11.0139 11.0139 11.0467 11.0467 k = 0.4600 0.2656 0.1782 ( 4364 PWs) bands (ev): -11.7922 -11.7922 -11.7916 -11.7916 -9.8955 -9.8955 -9.8947 -9.8947 -3.0855 -3.0855 -3.0840 -3.0840 -2.8382 -2.8382 -2.8171 -2.8171 -2.4816 -2.4816 -2.4670 -2.4670 -2.2090 -2.2090 -2.1785 -2.1785 -2.0740 -2.0740 -2.0621 -2.0621 0.3956 0.3956 0.4015 0.4015 1.0679 1.0679 1.0709 1.0709 2.2368 2.2368 2.2383 2.2383 2.6522 2.6522 2.6550 2.6550 3.5149 3.5149 3.5152 3.5152 3.6227 3.6227 3.6248 3.6248 8.9109 8.9109 8.9133 8.9133 11.0076 11.0076 11.0339 11.0339 k = 0.4700 0.2714 0.1782 ( 4370 PWs) bands (ev): -11.7911 -11.7911 -11.7906 -11.7906 -9.8930 -9.8930 -9.8923 -9.8923 -3.0855 -3.0855 -3.0843 -3.0843 -2.8342 -2.8342 -2.8185 -2.8185 -2.4796 -2.4796 -2.4683 -2.4683 -2.2036 -2.2036 -2.1806 -2.1806 -2.0695 -2.0695 -2.0605 -2.0605 0.3925 0.3925 0.3970 0.3970 1.0556 1.0556 1.0578 1.0578 2.2315 2.2315 2.2326 2.2326 2.6561 2.6561 2.6582 2.6582 3.5102 3.5102 3.5104 3.5104 3.6221 3.6221 3.6236 3.6236 8.9140 8.9140 8.9158 8.9158 11.0035 11.0035 11.0232 11.0232 k = 0.4800 0.2771 0.1782 ( 4370 PWs) bands (ev): -11.7903 -11.7903 -11.7899 -11.7899 -9.8911 -9.8911 -9.8907 -9.8907 -3.0854 -3.0854 -3.0846 -3.0846 -2.8307 -2.8307 -2.8202 -2.8202 -2.4775 -2.4775 -2.4699 -2.4699 -2.1985 -2.1985 -2.1831 -2.1831 -2.0658 -2.0658 -2.0597 -2.0597 0.3905 0.3905 0.3936 0.3936 1.0468 1.0468 1.0483 1.0483 2.2278 2.2278 2.2285 2.2285 2.6591 2.6591 2.6606 2.6606 3.5067 3.5067 3.5069 3.5069 3.6217 3.6217 3.6227 3.6227 8.9162 8.9162 8.9175 8.9175 11.0015 11.0015 11.0146 11.0146 k = 0.4900 0.2829 0.1782 ( 4364 PWs) bands (ev): -11.7897 -11.7897 -11.7896 -11.7896 -9.8899 -9.8899 -9.8897 -9.8897 -3.0852 -3.0852 -3.0849 -3.0849 -2.8274 -2.8274 -2.8222 -2.8222 -2.4754 -2.4754 -2.4716 -2.4716 -2.1939 -2.1939 -2.1862 -2.1862 -2.0629 -2.0629 -2.0598 -2.0598 0.3897 0.3897 0.3912 0.3912 1.0416 1.0416 1.0424 1.0424 2.2256 2.2256 2.2260 2.2260 2.6612 2.6612 2.6619 2.6619 3.5046 3.5046 3.5047 3.5047 3.6216 3.6216 3.6221 3.6221 8.9177 8.9177 8.9183 8.9183 11.0016 11.0016 11.0082 11.0082 k = 0.5000 0.2887 0.1782 ( 4360 PWs) bands (ev): -11.7895 -11.7895 -11.7895 -11.7895 -9.8894 -9.8894 -9.8894 -9.8894 -3.0851 -3.0851 -3.0851 -3.0851 -2.8246 -2.8246 -2.8246 -2.8246 -2.4734 -2.4734 -2.4734 -2.4734 -2.1897 -2.1897 -2.1897 -2.1897 -2.0608 -2.0608 -2.0608 -2.0608 0.3899 0.3899 0.3899 0.3899 1.0401 1.0401 1.0401 1.0401 2.2250 2.2250 2.2250 2.2250 2.6621 2.6621 2.6621 2.6621 3.5040 3.5040 3.5040 3.5040 3.6217 3.6217 3.6217 3.6217 8.9183 8.9183 8.9183 8.9183 11.0038 11.0038 11.0038 11.0038 k = 0.5000 0.2887 0.1782 ( 4360 PWs) bands (ev): -11.7895 -11.7895 -11.7895 -11.7895 -9.8894 -9.8894 -9.8894 -9.8894 -3.0851 -3.0851 -3.0851 -3.0851 -2.8246 -2.8246 -2.8246 -2.8246 -2.4734 -2.4734 -2.4734 -2.4734 -2.1897 -2.1897 -2.1897 -2.1897 -2.0608 -2.0608 -2.0608 -2.0608 0.3899 0.3899 0.3899 0.3899 1.0401 1.0401 1.0401 1.0401 2.2250 2.2250 2.2250 2.2250 2.6621 2.6621 2.6621 2.6621 3.5040 3.5040 3.5040 3.5040 3.6217 3.6217 3.6217 3.6217 8.9183 8.9183 8.9183 8.9183 11.0038 11.0038 11.0038 11.0038 k = 0.4943 0.2986 0.1782 ( 4356 PWs) bands (ev): -11.7896 -11.7896 -11.7893 -11.7893 -9.8894 -9.8894 -9.8892 -9.8892 -3.0874 -3.0874 -3.0821 -3.0821 -2.8263 -2.8263 -2.8231 -2.8231 -2.4773 -2.4773 -2.4688 -2.4688 -2.1925 -2.1925 -2.1872 -2.1872 -2.0654 -2.0654 -2.0566 -2.0566 0.3892 0.3892 0.3913 0.3913 1.0404 1.0404 1.0411 1.0411 2.2207 2.2207 2.2250 2.2250 2.6596 2.6596 2.6645 2.6645 3.4996 3.4996 3.5030 3.5030 3.6218 3.6218 3.6251 3.6251 8.9194 8.9194 8.9204 8.9204 11.0055 11.0055 11.0080 11.0080 k = 0.4885 0.3086 0.1782 ( 4364 PWs) bands (ev): -11.7896 -11.7896 -11.7891 -11.7891 -9.8891 -9.8891 -9.8888 -9.8888 -3.0893 -3.0893 -3.0786 -3.0786 -2.8282 -2.8282 -2.8218 -2.8218 -2.4806 -2.4806 -2.4635 -2.4635 -2.1955 -2.1955 -2.1850 -2.1850 -2.0704 -2.0704 -2.0529 -2.0529 0.3891 0.3891 0.3932 0.3932 1.0418 1.0418 1.0432 1.0432 2.2122 2.2122 2.2207 2.2207 2.6570 2.6570 2.6666 2.6666 3.4907 3.4907 3.4968 3.4968 3.6251 3.6251 3.6309 3.6309 8.9237 8.9237 8.9256 8.9256 11.0129 11.0129 11.0180 11.0180 k = 0.4828 0.3185 0.1782 ( 4364 PWs) bands (ev): -11.7895 -11.7895 -11.7887 -11.7887 -9.8886 -9.8886 -9.8881 -9.8881 -3.0905 -3.0905 -3.0747 -3.0747 -2.8302 -2.8302 -2.8207 -2.8207 -2.4831 -2.4831 -2.4576 -2.4576 -2.1986 -2.1986 -2.1830 -2.1830 -2.0756 -2.0756 -2.0494 -2.0494 0.3897 0.3897 0.3958 0.3958 1.0445 1.0445 1.0466 1.0466 2.1999 2.1999 2.2122 2.2122 2.6542 2.6542 2.6680 2.6680 3.4786 3.4786 3.4867 3.4867 3.6306 3.6306 3.6382 3.6382 8.9310 8.9310 8.9339 8.9339 11.0260 11.0260 11.0337 11.0337 k = 0.4770 0.3285 0.1782 ( 4364 PWs) bands (ev): -11.7893 -11.7893 -11.7883 -11.7883 -9.8879 -9.8879 -9.8872 -9.8872 -3.0912 -3.0912 -3.0702 -3.0702 -2.8325 -2.8325 -2.8196 -2.8196 -2.4849 -2.4849 -2.4510 -2.4510 -2.2020 -2.2020 -2.1812 -2.1812 -2.0811 -2.0811 -2.0463 -2.0463 0.3908 0.3908 0.3990 0.3990 1.0484 1.0484 1.0512 1.0512 2.1842 2.1842 2.1997 2.1997 2.6508 2.6508 2.6684 2.6684 3.4645 3.4645 3.4740 3.4740 3.6373 3.6373 3.6460 3.6460 8.9412 8.9412 8.9451 8.9451 11.0446 11.0446 11.0549 11.0549 k = 0.4713 0.3384 0.1782 ( 4366 PWs) bands (ev): -11.7890 -11.7890 -11.7878 -11.7878 -9.8870 -9.8870 -9.8861 -9.8861 -3.0912 -3.0912 -3.0653 -3.0653 -2.8350 -2.8350 -2.8187 -2.8187 -2.4860 -2.4860 -2.4438 -2.4438 -2.2055 -2.2055 -2.1798 -2.1798 -2.0869 -2.0869 -2.0437 -2.0437 0.3925 0.3925 0.4027 0.4027 1.0535 1.0535 1.0570 1.0570 2.1654 2.1654 2.1836 2.1836 2.6464 2.6464 2.6672 2.6672 3.4494 3.4494 3.4599 3.4599 3.6442 3.6442 3.6534 3.6534 8.9543 8.9543 8.9590 8.9590 11.0685 11.0685 11.0815 11.0815 k = 0.4655 0.3484 0.1782 ( 4364 PWs) bands (ev): -11.7887 -11.7887 -11.7873 -11.7873 -9.8858 -9.8858 -9.8848 -9.8848 -3.0907 -3.0907 -3.0600 -3.0600 -2.8378 -2.8378 -2.8179 -2.8179 -2.4864 -2.4864 -2.4360 -2.4360 -2.2093 -2.2093 -2.1785 -2.1785 -2.0929 -2.0929 -2.0413 -2.0413 0.3948 0.3948 0.4069 0.4069 1.0599 1.0599 1.0639 1.0639 2.1442 2.1442 2.1644 2.1644 2.6405 2.6405 2.6638 2.6638 3.4340 3.4340 3.4453 3.4453 3.6507 3.6507 3.6603 3.6603 8.9700 8.9700 8.9756 8.9756 11.0974 11.0974 11.1132 11.1132 k = 0.4598 0.3584 0.1782 ( 4356 PWs) bands (ev): -11.7883 -11.7883 -11.7866 -11.7866 -9.8845 -9.8845 -9.8833 -9.8833 -3.0895 -3.0895 -3.0544 -3.0544 -2.8407 -2.8407 -2.8172 -2.8172 -2.4860 -2.4860 -2.4277 -2.4277 -2.2130 -2.2130 -2.1776 -2.1776 -2.0991 -2.0991 -2.0394 -2.0394 0.3975 0.3975 0.4115 0.4115 1.0674 1.0674 1.0721 1.0721 2.1208 2.1208 2.1426 2.1426 2.6325 2.6325 2.6578 2.6578 3.4191 3.4191 3.4312 3.4312 3.6566 3.6566 3.6662 3.6662 8.9881 8.9881 8.9945 8.9945 11.1310 11.1310 11.1496 11.1496 k = 0.4540 0.3683 0.1782 ( 4362 PWs) bands (ev): -11.7878 -11.7878 -11.7859 -11.7859 -9.8830 -9.8830 -9.8816 -9.8816 -3.0878 -3.0878 -3.0485 -3.0485 -2.8440 -2.8440 -2.8166 -2.8166 -2.4851 -2.4851 -2.4189 -2.4189 -2.2170 -2.2170 -2.1769 -2.1769 -2.1055 -2.1055 -2.0378 -2.0378 0.4006 0.4006 0.4164 0.4164 1.0761 1.0761 1.0814 1.0814 2.0957 2.0957 2.1184 2.1184 2.6220 2.6220 2.6487 2.6487 3.4053 3.4053 3.4180 3.4180 3.6616 3.6616 3.6711 3.6711 9.0083 9.0083 9.0154 9.0154 11.1688 11.1688 11.1903 11.1903 k = 0.4483 0.3783 0.1782 ( 4350 PWs) bands (ev): -11.7873 -11.7873 -11.7851 -11.7851 -9.8812 -9.8812 -9.8797 -9.8797 -3.0854 -3.0854 -3.0422 -3.0422 -2.8474 -2.8474 -2.8160 -2.8160 -2.4834 -2.4834 -2.4096 -2.4096 -2.2210 -2.2210 -2.1765 -2.1765 -2.1120 -2.1120 -2.0366 -2.0366 0.4041 0.4041 0.4217 0.4217 1.0861 1.0861 1.0919 1.0919 2.0693 2.0693 2.0925 2.0925 2.6087 2.6087 2.6362 2.6362 3.3930 3.3930 3.4063 3.4063 3.6656 3.6656 3.6749 3.6749 9.0303 9.0303 9.0381 9.0381 11.2104 11.2104 11.2350 11.2350 k = 0.4425 0.3882 0.1782 ( 4350 PWs) bands (ev): -11.7866 -11.7866 -11.7843 -11.7843 -9.8794 -9.8794 -9.8777 -9.8777 -3.0825 -3.0825 -3.0358 -3.0358 -2.8511 -2.8511 -2.8155 -2.8155 -2.4811 -2.4811 -2.3999 -2.3999 -2.2251 -2.2251 -2.1764 -2.1764 -2.1186 -2.1186 -2.0357 -2.0357 0.4078 0.4078 0.4271 0.4271 1.0972 1.0972 1.1035 1.1035 2.0420 2.0420 2.0652 2.0652 2.5923 2.5923 2.6201 2.6201 3.3827 3.3827 3.3965 3.3965 3.6685 3.6685 3.6775 3.6775 9.0538 9.0538 9.0623 9.0623 11.2555 11.2555 11.2832 11.2832 k = 0.4368 0.3982 0.1782 ( 4362 PWs) bands (ev): -11.7860 -11.7860 -11.7835 -11.7835 -9.8774 -9.8774 -9.8755 -9.8755 -3.0792 -3.0792 -3.0294 -3.0294 -2.8552 -2.8552 -2.8150 -2.8150 -2.4782 -2.4782 -2.3900 -2.3900 -2.2293 -2.2293 -2.1768 -2.1768 -2.1253 -2.1253 -2.0353 -2.0353 0.4117 0.4117 0.4326 0.4326 1.1095 1.1095 1.1163 1.1163 2.0140 2.0140 2.0369 2.0369 2.5728 2.5728 2.6003 2.6003 3.3747 3.3747 3.3889 3.3889 3.6703 3.6703 3.6789 3.6789 9.0786 9.0786 9.0876 9.0876 11.3034 11.3034 11.3344 11.3344 k = 0.4310 0.4081 0.1782 ( 4358 PWs) bands (ev): -11.7853 -11.7853 -11.7826 -11.7826 -9.8752 -9.8752 -9.8732 -9.8732 -3.0752 -3.0752 -3.0228 -3.0228 -2.8594 -2.8594 -2.8146 -2.8146 -2.4747 -2.4747 -2.3797 -2.3797 -2.2335 -2.2335 -2.1773 -2.1773 -2.1319 -2.1319 -2.0351 -2.0351 0.4157 0.4157 0.4381 0.4381 1.1229 1.1229 1.1302 1.1302 1.9857 1.9857 2.0078 2.0078 2.5501 2.5501 2.5769 2.5769 3.3691 3.3691 3.3835 3.3835 3.6709 3.6709 3.6792 3.6792 9.1042 9.1042 9.1137 9.1137 11.3537 11.3537 11.3881 11.3881 k = 0.4253 0.4181 0.1782 ( 4364 PWs) bands (ev): -11.7845 -11.7845 -11.7816 -11.7816 -9.8730 -9.8730 -9.8709 -9.8709 -3.0708 -3.0708 -3.0162 -3.0162 -2.8640 -2.8640 -2.8142 -2.8142 -2.4707 -2.4707 -2.3692 -2.3692 -2.2376 -2.2376 -2.1784 -2.1784 -2.1384 -2.1384 -2.0353 -2.0353 0.4198 0.4198 0.4435 0.4435 1.1375 1.1375 1.1452 1.1452 1.9573 1.9573 1.9782 1.9782 2.5245 2.5245 2.5503 2.5503 3.3659 3.3659 3.3805 3.3805 3.6705 3.6705 3.6784 3.6784 9.1303 9.1303 9.1403 9.1403 11.4059 11.4059 11.4439 11.4439 k = 0.4195 0.4280 0.1782 ( 4368 PWs) bands (ev): -11.7838 -11.7838 -11.7807 -11.7807 -9.8707 -9.8707 -9.8684 -9.8684 -3.0659 -3.0659 -3.0097 -3.0097 -2.8687 -2.8687 -2.8139 -2.8139 -2.4662 -2.4662 -2.3586 -2.3586 -2.2416 -2.2416 -2.1798 -2.1798 -2.1447 -2.1447 -2.0356 -2.0356 0.4238 0.4238 0.4488 0.4488 1.1531 1.1531 1.1612 1.1612 1.9289 1.9289 1.9485 1.9485 2.4964 2.4964 2.5209 2.5209 3.3650 3.3650 3.3798 3.3798 3.6690 3.6690 3.6764 3.6764 9.1566 9.1566 9.1670 9.1670 11.4596 11.4596 11.5013 11.5013 k = 0.4138 0.4380 0.1782 ( 4364 PWs) bands (ev): -11.7830 -11.7830 -11.7797 -11.7797 -9.8683 -9.8683 -9.8660 -9.8660 -3.0606 -3.0606 -3.0032 -3.0032 -2.8737 -2.8737 -2.8135 -2.8135 -2.4612 -2.4612 -2.3479 -2.3479 -2.2454 -2.2454 -2.1817 -2.1817 -2.1507 -2.1507 -2.0362 -2.0362 0.4276 0.4276 0.4538 0.4538 1.1698 1.1698 1.1783 1.1783 1.9009 1.9009 1.9187 1.9187 2.4661 2.4661 2.4891 2.4891 3.3664 3.3664 3.3812 3.3812 3.6664 3.6664 3.6734 3.6734 9.1828 9.1828 9.1935 9.1935 11.5142 11.5142 11.5598 11.5598 k = 0.4080 0.4479 0.1782 ( 4354 PWs) bands (ev): -11.7821 -11.7821 -11.7788 -11.7788 -9.8659 -9.8659 -9.8634 -9.8634 -3.0547 -3.0547 -2.9969 -2.9969 -2.8789 -2.8789 -2.8131 -2.8131 -2.4558 -2.4558 -2.3373 -2.3373 -2.2490 -2.2490 -2.1841 -2.1841 -2.1561 -2.1561 -2.0370 -2.0370 0.4313 0.4313 0.4584 0.4584 1.1876 1.1876 1.1965 1.1965 1.8731 1.8731 1.8891 1.8891 2.4343 2.4343 2.4556 2.4556 3.3698 3.3698 3.3846 3.3846 3.6628 3.6628 3.6694 3.6694 9.2086 9.2086 9.2196 9.2196 11.5694 11.5694 11.6190 11.6190 k = 0.4023 0.4579 0.1782 ( 4358 PWs) bands (ev): -11.7813 -11.7813 -11.7778 -11.7778 -9.8635 -9.8635 -9.8610 -9.8610 -3.0487 -3.0487 -2.9910 -2.9910 -2.8843 -2.8843 -2.8128 -2.8128 -2.4502 -2.4502 -2.3269 -2.3269 -2.2523 -2.2523 -2.1872 -2.1872 -2.1611 -2.1611 -2.0380 -2.0380 0.4346 0.4346 0.4627 0.4627 1.2063 1.2063 1.2156 1.2156 1.8458 1.8458 1.8597 1.8597 2.4014 2.4014 2.4212 2.4212 3.3749 3.3749 3.3898 3.3898 3.6582 3.6582 3.6644 3.6644 9.2336 9.2336 9.2448 9.2448 11.6246 11.6246 11.6786 11.6786 k = 0.3966 0.4679 0.1782 ( 4366 PWs) bands (ev): -11.7805 -11.7805 -11.7769 -11.7769 -9.8612 -9.8612 -9.8585 -9.8585 -3.0423 -3.0423 -2.9854 -2.9854 -2.8900 -2.8900 -2.8125 -2.8125 -2.4443 -2.4443 -2.3170 -2.3170 -2.2553 -2.2553 -2.1909 -2.1909 -2.1656 -2.1656 -2.0391 -2.0391 0.4377 0.4377 0.4666 0.4666 1.2260 1.2260 1.2356 1.2356 1.8188 1.8188 1.8307 1.8307 2.3682 2.3682 2.3865 2.3865 3.3816 3.3816 3.3966 3.3966 3.6526 3.6526 3.6585 3.6585 9.2575 9.2575 9.2689 9.2689 11.6797 11.6797 11.7382 11.7382 k = 0.3908 0.4778 0.1782 ( 4366 PWs) bands (ev): -11.7797 -11.7797 -11.7760 -11.7760 -9.8588 -9.8588 -9.8561 -9.8561 -3.0355 -3.0355 -2.9801 -2.9801 -2.8957 -2.8957 -2.8122 -2.8122 -2.4383 -2.4383 -2.3077 -2.3077 -2.2575 -2.2575 -2.1951 -2.1951 -2.1694 -2.1694 -2.0403 -2.0403 0.4404 0.4404 0.4699 0.4699 1.2466 1.2466 1.2566 1.2566 1.7920 1.7920 1.8021 1.8021 2.3353 2.3353 2.3522 2.3522 3.3896 3.3896 3.4047 3.4047 3.6462 3.6462 3.6516 3.6516 9.2801 9.2801 9.2917 9.2917 11.7342 11.7342 11.7975 11.7975 k = 0.3851 0.4878 0.1782 ( 4366 PWs) bands (ev): -11.7790 -11.7790 -11.7751 -11.7751 -9.8566 -9.8566 -9.8538 -9.8538 -3.0285 -3.0285 -2.9753 -2.9753 -2.9016 -2.9016 -2.8119 -2.8119 -2.4323 -2.4323 -2.2993 -2.2993 -2.2588 -2.2588 -2.1997 -2.1997 -2.1728 -2.1728 -2.0415 -2.0415 0.4427 0.4427 0.4728 0.4728 1.2680 1.2680 1.2784 1.2784 1.7653 1.7653 1.7739 1.7739 2.3032 2.3032 2.3192 2.3192 3.3987 3.3987 3.4140 3.4140 3.6389 3.6389 3.6439 3.6439 9.3012 9.3012 9.3128 9.3128 11.7879 11.7879 11.8564 11.8564 k = 0.3793 0.4977 0.1782 ( 4366 PWs) bands (ev): -11.7782 -11.7782 -11.7743 -11.7743 -9.8545 -9.8545 -9.8516 -9.8516 -3.0214 -3.0214 -2.9709 -2.9709 -2.9077 -2.9077 -2.8117 -2.8117 -2.4264 -2.4264 -2.2924 -2.2924 -2.2588 -2.2588 -2.2043 -2.2043 -2.1760 -2.1760 -2.0427 -2.0427 0.4446 0.4446 0.4751 0.4751 1.2901 1.2901 1.3011 1.3011 1.7383 1.7383 1.7462 1.7462 2.2727 2.2727 2.2881 2.2881 3.4087 3.4087 3.4242 3.4242 3.6308 3.6308 3.6354 3.6354 9.3205 9.3205 9.3322 9.3322 11.8404 11.8404 11.9146 11.9146 k = 0.3736 0.5077 0.1782 ( 4366 PWs) bands (ev): -11.7776 -11.7776 -11.7735 -11.7735 -9.8525 -9.8525 -9.8495 -9.8495 -3.0140 -3.0140 -2.9672 -2.9672 -2.9138 -2.9138 -2.8114 -2.8114 -2.4207 -2.4207 -2.2872 -2.2872 -2.2574 -2.2574 -2.2087 -2.2087 -2.1790 -2.1790 -2.0438 -2.0438 0.4461 0.4461 0.4769 0.4769 1.3130 1.3130 1.3245 1.3245 1.7108 1.7108 1.7189 1.7189 2.2444 2.2444 2.2597 2.2597 3.4193 3.4193 3.4352 3.4352 3.6219 3.6219 3.6263 3.6263 9.3379 9.3379 9.3496 9.3496 11.8915 11.8915 11.9720 11.9720 k = 0.3678 0.5176 0.1782 ( 4368 PWs) bands (ev): -11.7769 -11.7769 -11.7728 -11.7728 -9.8507 -9.8507 -9.8477 -9.8477 -3.0066 -3.0066 -2.9640 -2.9640 -2.9200 -2.9200 -2.8111 -2.8111 -2.4155 -2.4155 -2.2837 -2.2837 -2.2547 -2.2547 -2.2126 -2.2126 -2.1819 -2.1819 -2.0448 -2.0448 0.4473 0.4473 0.4783 0.4783 1.3365 1.3365 1.3486 1.3486 1.6829 1.6829 1.6918 1.6918 2.2190 2.2190 2.2343 2.2343 3.4303 3.4303 3.4469 3.4469 3.6124 3.6124 3.6166 3.6166 9.3531 9.3531 9.3649 9.3649 11.9407 11.9407 12.0285 12.0285 k = 0.3621 0.5276 0.1782 ( 4366 PWs) bands (ev): -11.7764 -11.7764 -11.7722 -11.7722 -9.8491 -9.8491 -9.8460 -9.8460 -2.9992 -2.9992 -2.9614 -2.9614 -2.9262 -2.9262 -2.8108 -2.8108 -2.4108 -2.4108 -2.2813 -2.2813 -2.2517 -2.2517 -2.2156 -2.2156 -2.1846 -2.1846 -2.0457 -2.0457 0.4481 0.4481 0.4793 0.4793 1.3604 1.3604 1.3734 1.3734 1.6547 1.6547 1.6647 1.6647 2.1969 2.1969 2.2125 2.2125 3.4415 3.4415 3.4590 3.4590 3.6023 3.6023 3.6066 3.6066 9.3661 9.3661 9.3779 9.3779 11.9875 11.9875 12.0839 12.0839 k = 0.3563 0.5375 0.1782 ( 4362 PWs) bands (ev): -11.7759 -11.7759 -11.7717 -11.7717 -9.8477 -9.8477 -9.8446 -9.8446 -2.9917 -2.9917 -2.9595 -2.9595 -2.9323 -2.9323 -2.8106 -2.8106 -2.4069 -2.4069 -2.2794 -2.2794 -2.2496 -2.2496 -2.2172 -2.2172 -2.1874 -2.1874 -2.0463 -2.0463 0.4486 0.4486 0.4799 0.4799 1.3847 1.3847 1.3986 1.3986 1.6266 1.6266 1.6374 1.6374 2.1786 2.1786 2.1946 2.1946 3.4524 3.4524 3.4713 3.4713 3.5917 3.5917 3.5966 3.5966 9.3768 9.3768 9.3886 9.3886 12.0311 12.0311 12.1383 12.1383 k = 0.3506 0.5475 0.1782 ( 4368 PWs) bands (ev): -11.7755 -11.7755 -11.7712 -11.7712 -9.8465 -9.8465 -9.8435 -9.8435 -2.9846 -2.9846 -2.9583 -2.9583 -2.9383 -2.9383 -2.8104 -2.8104 -2.4038 -2.4038 -2.2774 -2.2774 -2.2491 -2.2491 -2.2172 -2.2172 -2.1900 -2.1900 -2.0468 -2.0468 0.4489 0.4489 0.4802 0.4802 1.4090 1.4090 1.4238 1.4238 1.5990 1.5990 1.6103 1.6103 2.1644 2.1644 2.1807 2.1807 3.4626 3.4626 3.4834 3.4834 3.5809 3.5809 3.5873 3.5873 9.3851 9.3851 9.3970 9.3970 12.0700 12.0700 12.1912 12.1912 k = 0.3448 0.5574 0.1782 ( 4364 PWs) bands (ev): -11.7752 -11.7752 -11.7709 -11.7709 -9.8457 -9.8457 -9.8426 -9.8426 -2.9778 -2.9778 -2.9578 -2.9578 -2.9437 -2.9437 -2.8102 -2.8102 -2.4016 -2.4016 -2.2754 -2.2754 -2.2499 -2.2499 -2.2161 -2.2161 -2.1922 -2.1922 -2.0471 -2.0471 0.4490 0.4490 0.4803 0.4803 1.4324 1.4324 1.4484 1.4484 1.5730 1.5730 1.5840 1.5840 2.1543 2.1543 2.1709 2.1709 3.4714 3.4714 3.4948 3.4948 3.5704 3.5704 3.5792 3.5792 9.3911 9.3911 9.4029 9.4029 12.1020 12.1020 12.2422 12.2422 k = 0.3391 0.5674 0.1782 ( 4360 PWs) bands (ev): -11.7750 -11.7750 -11.7707 -11.7707 -9.8452 -9.8452 -9.8421 -9.8421 -2.9722 -2.9722 -2.9579 -2.9579 -2.9481 -2.9481 -2.8100 -2.8100 -2.4003 -2.4003 -2.2736 -2.2736 -2.2512 -2.2512 -2.2149 -2.2149 -2.1938 -2.1938 -2.0472 -2.0472 0.4490 0.4490 0.4803 0.4803 1.4523 1.4523 1.4697 1.4697 1.5517 1.5517 1.5611 1.5611 2.1484 2.1484 2.1652 2.1652 3.4776 3.4776 3.5040 3.5040 3.5618 3.5618 3.5734 3.5734 9.3946 9.3946 9.4064 9.4064 12.1236 12.1236 12.2899 12.2899 k = 0.3333 0.5774 0.1782 ( 4368 PWs) bands (ev): -11.7750 -11.7750 -11.7706 -11.7706 -9.8450 -9.8450 -9.8419 -9.8419 -2.9699 -2.9699 -2.9580 -2.9580 -2.9500 -2.9500 -2.8100 -2.8100 -2.3999 -2.3999 -2.2729 -2.2729 -2.2518 -2.2518 -2.2145 -2.2145 -2.1944 -2.1944 -2.0473 -2.0473 0.4490 0.4490 0.4803 0.4803 1.4614 1.4614 1.4796 1.4796 1.5428 1.5428 1.5498 1.5498 2.1465 2.1465 2.1633 2.1633 3.4798 3.4798 3.5078 3.5078 3.5580 3.5580 3.5713 3.5713 9.3958 9.3958 9.4076 9.4076 12.1313 12.1313 12.3205 12.3205 k = 0.3333 0.5774 0.1782 ( 4368 PWs) bands (ev): -11.7750 -11.7750 -11.7706 -11.7706 -9.8450 -9.8450 -9.8419 -9.8419 -2.9699 -2.9699 -2.9580 -2.9580 -2.9500 -2.9500 -2.8100 -2.8100 -2.3999 -2.3999 -2.2729 -2.2729 -2.2518 -2.2518 -2.2145 -2.2145 -2.1944 -2.1944 -2.0473 -2.0473 0.4490 0.4490 0.4803 0.4803 1.4614 1.4614 1.4796 1.4796 1.5428 1.5428 1.5498 1.5498 2.1465 2.1465 2.1633 2.1633 3.4798 3.4798 3.5078 3.5078 3.5580 3.5580 3.5713 3.5713 9.3958 9.3958 9.4076 9.4076 12.1313 12.1313 12.3205 12.3205 k = 0.3276 0.5674 0.1782 ( 4356 PWs) bands (ev): -11.7750 -11.7750 -11.7707 -11.7707 -9.8452 -9.8452 -9.8421 -9.8421 -2.9719 -2.9719 -2.9584 -2.9584 -2.9478 -2.9478 -2.8100 -2.8100 -2.4002 -2.4002 -2.2737 -2.2737 -2.2511 -2.2511 -2.2148 -2.2148 -2.1938 -2.1938 -2.0472 -2.0472 0.4490 0.4490 0.4804 0.4804 1.4523 1.4523 1.4698 1.4698 1.5515 1.5515 1.5614 1.5614 2.1483 2.1483 2.1651 2.1651 3.4775 3.4775 3.5039 3.5039 3.5619 3.5619 3.5735 3.5735 9.3946 9.3946 9.4065 9.4065 12.1238 12.1238 12.2917 12.2917 k = 0.3218 0.5574 0.1782 ( 4360 PWs) bands (ev): -11.7752 -11.7752 -11.7709 -11.7709 -9.8458 -9.8458 -9.8427 -9.8427 -2.9764 -2.9764 -2.9600 -2.9600 -2.9428 -2.9428 -2.8102 -2.8102 -2.4013 -2.4013 -2.2763 -2.2763 -2.2494 -2.2494 -2.2157 -2.2157 -2.1925 -2.1925 -2.0473 -2.0473 0.4492 0.4492 0.4805 0.4805 1.4324 1.4324 1.4490 1.4490 1.5727 1.5727 1.5854 1.5854 2.1536 2.1536 2.1703 2.1703 3.4710 3.4710 3.4941 3.4941 3.5712 3.5712 3.5796 3.5796 9.3912 9.3912 9.4031 9.4031 12.1038 12.1038 12.2498 12.2498 k = 0.3161 0.5475 0.1782 ( 4364 PWs) bands (ev): -11.7756 -11.7756 -11.7713 -11.7713 -9.8468 -9.8468 -9.8437 -9.8437 -2.9817 -2.9817 -2.9622 -2.9622 -2.9370 -2.9370 -2.8105 -2.8105 -2.4029 -2.4029 -2.2799 -2.2799 -2.2480 -2.2480 -2.2162 -2.2162 -2.1908 -2.1908 -2.0475 -2.0475 0.4495 0.4495 0.4809 0.4809 1.4097 1.4097 1.4256 1.4256 1.5993 1.5993 1.6135 1.6135 2.1619 2.1619 2.1785 2.1785 3.4615 3.4615 3.4815 3.4815 3.5831 3.5831 3.5885 3.5885 9.3857 9.3857 9.3975 9.3975 12.0755 12.0755 12.2080 12.2080 k = 0.3103 0.5375 0.1782 ( 4358 PWs) bands (ev): -11.7761 -11.7761 -11.7718 -11.7718 -9.8482 -9.8482 -9.8451 -9.8451 -2.9873 -2.9873 -2.9649 -2.9649 -2.9311 -2.9311 -2.8110 -2.8110 -2.4050 -2.4050 -2.2840 -2.2840 -2.2479 -2.2479 -2.2153 -2.2153 -2.1889 -2.1889 -2.0479 -2.0479 0.4501 0.4501 0.4816 0.4816 1.3869 1.3869 1.4023 1.4023 1.6283 1.6283 1.6435 1.6435 2.1730 2.1730 2.1895 2.1895 3.4501 3.4501 3.4678 3.4678 3.5959 3.5959 3.5992 3.5992 9.3780 9.3780 9.3898 9.3898 12.0428 12.0428 12.1675 12.1675 k = 0.3046 0.5276 0.1782 ( 4366 PWs) bands (ev): -11.7768 -11.7768 -11.7726 -11.7726 -9.8500 -9.8500 -9.8470 -9.8470 -2.9929 -2.9929 -2.9680 -2.9680 -2.9255 -2.9255 -2.8117 -2.8117 -2.4075 -2.4075 -2.2887 -2.2887 -2.2497 -2.2497 -2.2129 -2.2129 -2.1869 -2.1869 -2.0486 -2.0486 0.4510 0.4510 0.4825 0.4825 1.3654 1.3654 1.3803 1.3803 1.6587 1.6587 1.6747 1.6747 2.1864 2.1864 2.2029 2.2029 3.4376 3.4376 3.4535 3.4535 3.6089 3.6089 3.6111 3.6111 9.3683 9.3683 9.3802 9.3802 12.0081 12.0081 12.1288 12.1288 k = 0.2989 0.5176 0.1782 ( 4366 PWs) bands (ev): -11.7776 -11.7776 -11.7734 -11.7734 -9.8523 -9.8523 -9.8493 -9.8493 -2.9985 -2.9985 -2.9713 -2.9713 -2.9201 -2.9201 -2.8125 -2.8125 -2.4102 -2.4102 -2.2935 -2.2935 -2.2531 -2.2531 -2.2097 -2.2097 -2.1846 -2.1846 -2.0499 -2.0499 0.4522 0.4522 0.4838 0.4838 1.3456 1.3456 1.3604 1.3604 1.6902 1.6902 1.7067 1.7067 2.2020 2.2020 2.2185 2.2185 3.4246 3.4246 3.4390 3.4390 3.6215 3.6215 3.6240 3.6240 9.3568 9.3568 9.3686 9.3686 11.9729 11.9729 12.0920 12.0920 k = 0.2931 0.5077 0.1782 ( 4378 PWs) bands (ev): -11.7786 -11.7786 -11.7745 -11.7745 -9.8551 -9.8551 -9.8521 -9.8521 -3.0040 -3.0040 -2.9751 -2.9751 -2.9153 -2.9153 -2.8136 -2.8136 -2.4131 -2.4131 -2.2986 -2.2986 -2.2578 -2.2578 -2.2063 -2.2063 -2.1819 -2.1819 -2.0516 -2.0516 0.4538 0.4538 0.4855 0.4855 1.3281 1.3281 1.3429 1.3429 1.7224 1.7224 1.7392 1.7392 2.2195 2.2195 2.2359 2.2359 3.4114 3.4114 3.4246 3.4246 3.6339 3.6339 3.6374 3.6374 9.3434 9.3434 9.3552 9.3552 11.9381 11.9381 12.0572 12.0572 k = 0.2874 0.4977 0.1782 ( 4378 PWs) bands (ev): -11.7798 -11.7798 -11.7758 -11.7758 -9.8584 -9.8584 -9.8554 -9.8554 -3.0093 -3.0093 -2.9789 -2.9789 -2.9109 -2.9109 -2.8148 -2.8148 -2.4161 -2.4161 -2.3038 -2.3038 -2.2631 -2.2631 -2.2035 -2.2035 -2.1784 -2.1784 -2.0539 -2.0539 0.4558 0.4558 0.4876 0.4876 1.3132 1.3132 1.3281 1.3281 1.7553 1.7553 1.7724 1.7724 2.2385 2.2385 2.2549 2.2549 3.3983 3.3983 3.4106 3.4106 3.6461 3.6461 3.6507 3.6507 9.3282 9.3282 9.3400 9.3400 11.9044 11.9044 12.0244 12.0244 k = 0.2816 0.4878 0.1782 ( 4382 PWs) bands (ev): -11.7812 -11.7812 -11.7772 -11.7772 -9.8621 -9.8621 -9.8591 -9.8591 -3.0146 -3.0146 -2.9830 -2.9830 -2.9070 -2.9070 -2.8162 -2.8162 -2.4192 -2.4192 -2.3092 -2.3092 -2.2691 -2.2691 -2.2016 -2.2016 -2.1743 -2.1743 -2.0569 -2.0569 0.4583 0.4583 0.4901 0.4901 1.3010 1.3010 1.3163 1.3163 1.7887 1.7887 1.8058 1.8058 2.2588 2.2588 2.2752 2.2752 3.3855 3.3855 3.3970 3.3970 3.6582 3.6582 3.6640 3.6640 9.3114 9.3114 9.3232 9.3232 11.8720 11.8720 11.9938 11.9938 k = 0.2759 0.4778 0.1782 ( 4374 PWs) bands (ev): -11.7828 -11.7828 -11.7789 -11.7789 -9.8663 -9.8663 -9.8634 -9.8634 -3.0196 -3.0196 -2.9872 -2.9872 -2.9036 -2.9036 -2.8177 -2.8177 -2.4223 -2.4223 -2.3146 -2.3146 -2.2753 -2.2753 -2.2005 -2.2005 -2.1696 -2.1696 -2.0604 -2.0604 0.4612 0.4612 0.4931 0.4931 1.2919 1.2919 1.3076 1.3076 1.8224 1.8224 1.8396 1.8396 2.2803 2.2803 2.2968 2.2968 3.3732 3.3732 3.3841 3.3841 3.6701 3.6701 3.6769 3.6769 9.2930 9.2930 9.3048 9.3048 11.8413 11.8413 11.9653 11.9653 k = 0.2701 0.4679 0.1782 ( 4370 PWs) bands (ev): -11.7846 -11.7846 -11.7807 -11.7807 -9.8710 -9.8710 -9.8681 -9.8681 -3.0244 -3.0244 -2.9914 -2.9914 -2.9010 -2.9010 -2.8194 -2.8194 -2.4254 -2.4254 -2.3201 -2.3201 -2.2819 -2.2819 -2.2002 -2.2002 -2.1646 -2.1646 -2.0647 -2.0647 0.4647 0.4647 0.4965 0.4965 1.2858 1.2858 1.3022 1.3022 1.8563 1.8563 1.8734 1.8734 2.3028 2.3028 2.3193 2.3193 3.3616 3.3616 3.3720 3.3720 3.6817 3.6817 3.6896 3.6896 9.2730 9.2730 9.2847 9.2847 11.8124 11.8124 11.9390 11.9390 k = 0.2644 0.4579 0.1782 ( 4370 PWs) bands (ev): -11.7866 -11.7866 -11.7828 -11.7828 -9.8762 -9.8762 -9.8732 -9.8732 -3.0292 -3.0292 -2.9958 -2.9958 -2.8992 -2.8992 -2.8212 -2.8212 -2.4285 -2.4285 -2.3257 -2.3257 -2.2886 -2.2886 -2.2006 -2.2006 -2.1596 -2.1596 -2.0697 -2.0697 0.4687 0.4687 0.5003 0.5003 1.2830 1.2830 1.3001 1.3001 1.8903 1.8903 1.9072 1.9072 2.3261 2.3261 2.3427 2.3427 3.3509 3.3509 3.3610 3.3610 3.6929 3.6929 3.7018 3.7018 9.2514 9.2514 9.2631 9.2631 11.7855 11.7855 11.9150 11.9150 k = 0.2586 0.4479 0.1782 ( 4378 PWs) bands (ev): -11.7888 -11.7888 -11.7851 -11.7851 -9.8819 -9.8819 -9.8789 -9.8789 -3.0338 -3.0338 -3.0001 -3.0001 -2.8982 -2.8982 -2.8232 -2.8232 -2.4315 -2.4315 -2.3314 -2.3314 -2.2956 -2.2956 -2.2016 -2.2016 -2.1548 -2.1548 -2.0755 -2.0755 0.4732 0.4732 0.5047 0.5047 1.2835 1.2835 1.3014 1.3014 1.9241 1.9241 1.9408 1.9408 2.3502 2.3502 2.3670 2.3670 3.3412 3.3412 3.3511 3.3511 3.7037 3.7037 3.7137 3.7137 9.2282 9.2282 9.2399 9.2399 11.7607 11.7607 11.8932 11.8932 k = 0.2529 0.4380 0.1782 ( 4376 PWs) bands (ev): -11.7912 -11.7912 -11.7876 -11.7876 -9.8880 -9.8880 -9.8850 -9.8850 -3.0383 -3.0383 -3.0044 -3.0044 -2.8980 -2.8980 -2.8252 -2.8252 -2.4344 -2.4344 -2.3371 -2.3371 -2.3026 -2.3026 -2.2030 -2.2030 -2.1504 -2.1504 -2.0818 -2.0818 0.4783 0.4783 0.5096 0.5096 1.2873 1.2873 1.3061 1.3061 1.9577 1.9577 1.9740 1.9740 2.3750 2.3750 2.3920 2.3920 3.3326 3.3326 3.3425 3.3425 3.7141 3.7141 3.7251 3.7251 9.2035 9.2035 9.2152 9.2152 11.7382 11.7382 11.8739 11.8739 k = 0.2471 0.4280 0.1782 ( 4370 PWs) bands (ev): -11.7939 -11.7939 -11.7903 -11.7903 -9.8945 -9.8945 -9.8915 -9.8915 -3.0427 -3.0427 -3.0086 -3.0086 -2.8986 -2.8986 -2.8271 -2.8271 -2.4373 -2.4373 -2.3427 -2.3427 -2.3097 -2.3097 -2.2047 -2.2047 -2.1463 -2.1463 -2.0888 -2.0888 0.4840 0.4840 0.5151 0.5151 1.2943 1.2943 1.3141 1.3141 1.9907 1.9907 2.0067 2.0067 2.4005 2.4005 2.4177 2.4177 3.3253 3.3253 3.3354 3.3354 3.7240 3.7240 3.7360 3.7360 9.1772 9.1772 9.1889 9.1889 11.7180 11.7180 11.8570 11.8570 k = 0.2414 0.4181 0.1782 ( 4370 PWs) bands (ev): -11.7967 -11.7967 -11.7932 -11.7932 -9.9015 -9.9015 -9.8985 -9.8985 -3.0470 -3.0470 -3.0128 -3.0128 -2.9003 -2.9003 -2.8292 -2.8292 -2.4401 -2.4401 -2.3483 -2.3483 -2.3167 -2.3167 -2.2068 -2.2068 -2.1429 -2.1429 -2.0962 -2.0962 0.4903 0.4903 0.5211 0.5211 1.3045 1.3045 1.3254 1.3254 2.0231 2.0231 2.0387 2.0387 2.4266 2.4266 2.4442 2.4442 3.3193 3.3193 3.3299 3.3299 3.7334 3.7334 3.7464 3.7464 9.1492 9.1492 9.1610 9.1610 11.7001 11.7001 11.8426 11.8426 k = 0.2356 0.4081 0.1782 ( 4364 PWs) bands (ev): -11.7998 -11.7998 -11.7963 -11.7963 -9.9089 -9.9089 -9.9058 -9.9058 -3.0512 -3.0512 -3.0168 -3.0168 -2.9028 -2.9028 -2.8312 -2.8312 -2.4429 -2.4429 -2.3539 -2.3539 -2.3237 -2.3237 -2.2091 -2.2091 -2.1402 -2.1402 -2.1039 -2.1039 0.4972 0.4972 0.5279 0.5279 1.3177 1.3177 1.3399 1.3399 2.0547 2.0547 2.0700 2.0700 2.4534 2.4534 2.4714 2.4714 3.3149 3.3149 3.3260 3.3260 3.7422 3.7422 3.7562 3.7562 9.1197 9.1197 9.1314 9.1314 11.6847 11.6847 11.8307 11.8307 k = 0.2299 0.3982 0.1782 ( 4372 PWs) bands (ev): -11.8030 -11.8030 -11.7996 -11.7996 -9.9166 -9.9166 -9.9135 -9.9135 -3.0554 -3.0554 -3.0208 -3.0208 -2.9064 -2.9064 -2.8333 -2.8333 -2.4456 -2.4456 -2.3595 -2.3595 -2.3306 -2.3306 -2.2118 -2.2118 -2.1386 -2.1386 -2.1117 -2.1117 0.5047 0.5047 0.5352 0.5352 1.3339 1.3339 1.3575 1.3575 2.0852 2.0852 2.1003 2.1003 2.4810 2.4810 2.4994 2.4994 3.3120 3.3120 3.3238 3.3238 3.7506 3.7506 3.7654 3.7654 9.0884 9.0884 9.1002 9.1002 11.6718 11.6718 11.8212 11.8212 k = 0.2241 0.3882 0.1782 ( 4374 PWs) bands (ev): -11.8065 -11.8065 -11.8031 -11.8031 -9.9247 -9.9247 -9.9216 -9.9216 -3.0596 -3.0596 -3.0246 -3.0246 -2.9109 -2.9109 -2.8355 -2.8355 -2.4484 -2.4484 -2.3649 -2.3649 -2.3372 -2.3372 -2.2146 -2.2146 -2.1385 -2.1385 -2.1189 -2.1189 0.5129 0.5129 0.5433 0.5433 1.3530 1.3530 1.3780 1.3780 2.1147 2.1147 2.1297 2.1297 2.5094 2.5094 2.5283 2.5283 3.3107 3.3107 3.3233 3.3233 3.7583 3.7583 3.7740 3.7740 9.0554 9.0554 9.0673 9.0673 11.6613 11.6613 11.8143 11.8143 k = 0.2184 0.3783 0.1782 ( 4370 PWs) bands (ev): -11.8101 -11.8101 -11.8068 -11.8068 -9.9332 -9.9332 -9.9300 -9.9300 -3.0638 -3.0638 -3.0283 -3.0283 -2.9162 -2.9162 -2.8377 -2.8377 -2.4512 -2.4512 -2.3703 -2.3703 -2.3435 -2.3435 -2.2177 -2.2177 -2.1414 -2.1414 -2.1240 -2.1240 0.5216 0.5216 0.5520 0.5520 1.3747 1.3747 1.4013 1.4013 2.1430 2.1430 2.1581 2.1581 2.5385 2.5385 2.5580 2.5580 3.3111 3.3111 3.3245 3.3245 3.7655 3.7655 3.7820 3.7820 9.0206 9.0206 9.0326 9.0326 11.6532 11.6532 11.8097 11.8097 k = 0.2126 0.3683 0.1782 ( 4362 PWs) bands (ev): -11.8140 -11.8140 -11.8107 -11.8107 -9.9419 -9.9419 -9.9388 -9.9388 -3.0680 -3.0680 -3.0319 -3.0319 -2.9222 -2.9222 -2.8401 -2.8401 -2.4541 -2.4541 -2.3757 -2.3757 -2.3493 -2.3493 -2.2210 -2.2210 -2.1476 -2.1476 -2.1265 -2.1265 0.5308 0.5308 0.5614 0.5614 1.3989 1.3989 1.4271 1.4271 2.1702 2.1702 2.1856 2.1856 2.5684 2.5684 2.5885 2.5885 3.3131 3.3131 3.3275 3.3275 3.7720 3.7720 3.7894 3.7894 8.9841 8.9841 8.9962 8.9962 11.6473 11.6473 11.8073 11.8073 k = 0.2069 0.3584 0.1782 ( 4358 PWs) bands (ev): -11.8180 -11.8180 -11.8148 -11.8148 -9.9509 -9.9509 -9.9477 -9.9477 -3.0722 -3.0722 -3.0353 -3.0353 -2.9290 -2.9290 -2.8427 -2.8427 -2.4572 -2.4572 -2.3812 -2.3812 -2.3544 -2.3544 -2.2244 -2.2244 -2.1558 -2.1558 -2.1279 -2.1279 0.5406 0.5406 0.5713 0.5713 1.4254 1.4254 1.4552 1.4552 2.1964 2.1964 2.2123 2.2123 2.5991 2.5991 2.6198 2.6198 3.3167 3.3167 3.3321 3.3321 3.7779 3.7779 3.7961 3.7961 8.9456 8.9456 8.9579 8.9579 11.6436 11.6436 11.8070 11.8070 k = 0.2011 0.3484 0.1782 ( 4362 PWs) bands (ev): -11.8223 -11.8223 -11.8191 -11.8191 -9.9602 -9.9602 -9.9570 -9.9570 -3.0764 -3.0764 -3.0387 -3.0387 -2.9365 -2.9365 -2.8456 -2.8456 -2.4606 -2.4606 -2.3869 -2.3869 -2.3588 -2.3588 -2.2280 -2.2280 -2.1649 -2.1649 -2.1291 -2.1291 0.5508 0.5508 0.5818 0.5818 1.4541 1.4541 1.4856 1.4856 2.2218 2.2218 2.2383 2.2383 2.6305 2.6305 2.6518 2.6518 3.3219 3.3219 3.3383 3.3383 3.7832 3.7832 3.8021 3.8021 8.9053 8.9053 8.9178 8.9178 11.6417 11.6417 11.8085 11.8085 k = 0.1954 0.3384 0.1782 ( 4366 PWs) bands (ev): -11.8267 -11.8267 -11.8235 -11.8235 -9.9696 -9.9696 -9.9664 -9.9664 -3.0808 -3.0808 -3.0420 -3.0420 -2.9445 -2.9445 -2.8487 -2.8487 -2.4643 -2.4643 -2.3928 -2.3928 -2.3623 -2.3623 -2.2317 -2.2317 -2.1742 -2.1742 -2.1306 -2.1306 0.5613 0.5613 0.5927 0.5927 1.4848 1.4848 1.5179 1.5179 2.2465 2.2465 2.2639 2.2639 2.6625 2.6625 2.6843 2.6843 3.3287 3.3287 3.3459 3.3459 3.7878 3.7878 3.8074 3.8074 8.8632 8.8632 8.8759 8.8759 11.6414 11.6414 11.8112 11.8112 k = 0.1897 0.3285 0.1782 ( 4366 PWs) bands (ev): -11.8312 -11.8312 -11.8281 -11.8281 -9.9792 -9.9792 -9.9760 -9.9760 -3.0852 -3.0852 -3.0453 -3.0453 -2.9530 -2.9530 -2.8520 -2.8520 -2.4684 -2.4684 -2.3990 -2.3990 -2.3648 -2.3648 -2.2354 -2.2354 -2.1835 -2.1835 -2.1326 -2.1326 0.5722 0.5722 0.6039 0.6039 1.5173 1.5173 1.5520 1.5520 2.2710 2.2710 2.2892 2.2892 2.6950 2.6950 2.7174 2.7174 3.3368 3.3368 3.3549 3.3549 3.7918 3.7918 3.8120 3.8120 8.8192 8.8192 8.8321 8.8321 11.6422 11.6422 11.8147 11.8147 k = 0.1839 0.3185 0.1782 ( 4366 PWs) bands (ev): -11.8359 -11.8359 -11.8328 -11.8328 -9.9890 -9.9890 -9.9857 -9.9857 -3.0896 -3.0896 -3.0485 -3.0485 -2.9618 -2.9618 -2.8556 -2.8556 -2.4729 -2.4729 -2.4054 -2.4054 -2.3664 -2.3664 -2.2393 -2.2393 -2.1926 -2.1926 -2.1350 -2.1350 0.5831 0.5831 0.6153 0.6153 1.5515 1.5515 1.5878 1.5878 2.2954 2.2954 2.3145 2.3145 2.7280 2.7280 2.7509 2.7509 3.3463 3.3463 3.3651 3.3651 3.7952 3.7952 3.8160 3.8160 8.7733 8.7733 8.7866 8.7866 11.6435 11.6435 11.8181 11.8181 k = 0.1782 0.3086 0.1782 ( 4362 PWs) bands (ev): -11.8408 -11.8408 -11.8377 -11.8377 -9.9988 -9.9988 -9.9956 -9.9956 -3.0940 -3.0940 -3.0517 -3.0517 -2.9709 -2.9709 -2.8595 -2.8595 -2.4778 -2.4778 -2.4119 -2.4119 -2.3670 -2.3670 -2.2431 -2.2431 -2.2014 -2.2014 -2.1378 -2.1378 0.5941 0.5941 0.6267 0.6267 1.5872 1.5872 1.6249 1.6249 2.3202 2.3202 2.3400 2.3400 2.7612 2.7612 2.7845 2.7845 3.3570 3.3570 3.3765 3.3765 3.7978 3.7978 3.8192 3.8192 8.7257 8.7257 8.7393 8.7393 11.6447 11.6447 11.8207 11.8207 k = 0.1724 0.2986 0.1782 ( 4370 PWs) bands (ev): -11.8457 -11.8457 -11.8427 -11.8427 -10.0088 -10.0088 -10.0055 -10.0055 -3.0986 -3.0986 -3.0551 -3.0551 -2.9803 -2.9803 -2.8638 -2.8638 -2.4833 -2.4833 -2.4186 -2.4186 -2.3669 -2.3669 -2.2471 -2.2471 -2.2098 -2.2098 -2.1412 -2.1412 0.6050 0.6050 0.6380 0.6380 1.6244 1.6244 1.6634 1.6634 2.3456 2.3456 2.3660 2.3660 2.7946 2.7946 2.8183 2.8183 3.3688 3.3688 3.3887 3.3887 3.7999 3.7999 3.8217 3.8217 8.6764 8.6764 8.6902 8.6902 11.6449 11.6449 11.8214 11.8214 k = 0.1667 0.2887 0.1782 ( 4384 PWs) bands (ev): -11.8508 -11.8508 -11.8478 -11.8478 -10.0187 -10.0187 -10.0154 -10.0154 -3.1032 -3.1032 -3.0586 -3.0586 -2.9897 -2.9897 -2.8683 -2.8683 -2.4892 -2.4892 -2.4252 -2.4252 -2.3662 -2.3662 -2.2512 -2.2512 -2.2177 -2.2177 -2.1451 -2.1451 0.6157 0.6157 0.6491 0.6491 1.6629 1.6629 1.7030 1.7030 2.3718 2.3718 2.3926 2.3926 2.8280 2.8280 2.8521 2.8521 3.3815 3.3815 3.4018 3.4018 3.8012 3.8012 3.8235 3.8235 8.6254 8.6254 8.6396 8.6396 11.6434 11.6434 11.8188 11.8188 k = 0.1609 0.2787 0.1782 ( 4390 PWs) bands (ev): -11.8560 -11.8560 -11.8530 -11.8530 -10.0286 -10.0286 -10.0254 -10.0254 -3.1078 -3.1078 -3.0622 -3.0622 -2.9991 -2.9991 -2.8731 -2.8731 -2.4955 -2.4955 -2.4319 -2.4319 -2.3648 -2.3648 -2.2553 -2.2553 -2.2249 -2.2249 -2.1493 -2.1493 0.6260 0.6260 0.6597 0.6597 1.7027 1.7027 1.7436 1.7436 2.3990 2.3990 2.4200 2.4200 2.8614 2.8614 2.8858 2.8858 3.3950 3.3950 3.4156 3.4156 3.8019 3.8019 3.8247 3.8247 8.5730 8.5730 8.5874 8.5874 11.6390 11.6390 11.8119 11.8119 k = 0.1552 0.2688 0.1782 ( 4390 PWs) bands (ev): -11.8612 -11.8612 -11.8583 -11.8583 -10.0385 -10.0385 -10.0353 -10.0353 -3.1124 -3.1124 -3.0661 -3.0661 -3.0081 -3.0081 -2.8782 -2.8782 -2.5022 -2.5022 -2.4384 -2.4384 -2.3628 -2.3628 -2.2594 -2.2594 -2.2314 -2.2314 -2.1538 -2.1538 0.6358 0.6358 0.6697 0.6697 1.7436 1.7436 1.7853 1.7853 2.4273 2.4273 2.4483 2.4483 2.8946 2.8946 2.9193 2.9193 3.4092 3.4092 3.4299 3.4299 3.8020 3.8020 3.8251 3.8251 8.5191 8.5191 8.5337 8.5337 11.6309 11.6309 11.7992 11.7992 k = 0.1494 0.2588 0.1782 ( 4374 PWs) bands (ev): -11.8665 -11.8665 -11.8637 -11.8637 -10.0483 -10.0483 -10.0451 -10.0451 -3.1170 -3.1170 -3.0704 -3.0704 -3.0167 -3.0167 -2.8834 -2.8834 -2.5092 -2.5092 -2.4449 -2.4449 -2.3603 -2.3603 -2.2634 -2.2634 -2.2370 -2.2370 -2.1585 -2.1585 0.6450 0.6450 0.6791 0.6791 1.7858 1.7858 1.8279 1.8279 2.4568 2.4568 2.4774 2.4774 2.9278 2.9278 2.9527 2.9527 3.4240 3.4240 3.4447 3.4447 3.8014 3.8014 3.8249 3.8249 8.4639 8.4639 8.4788 8.4788 11.6181 11.6181 11.7800 11.7800 k = 0.1437 0.2489 0.1782 ( 4382 PWs) bands (ev): -11.8718 -11.8718 -11.8690 -11.8690 -10.0580 -10.0580 -10.0548 -10.0548 -3.1216 -3.1216 -3.0752 -3.0752 -3.0248 -3.0248 -2.8889 -2.8889 -2.5166 -2.5166 -2.4514 -2.4514 -2.3576 -2.3576 -2.2675 -2.2675 -2.2420 -2.2420 -2.1637 -2.1637 0.6534 0.6534 0.6875 0.6875 1.8291 1.8291 1.8714 1.8714 2.4873 2.4873 2.5074 2.5074 2.9607 2.9607 2.9858 2.9858 3.4392 3.4392 3.4596 3.4596 3.8002 3.8002 3.8240 3.8240 8.4076 8.4076 8.4227 8.4227 11.5998 11.5998 11.7534 11.7534 k = 0.1379 0.2389 0.1782 ( 4378 PWs) bands (ev): -11.8772 -11.8772 -11.8744 -11.8744 -10.0676 -10.0676 -10.0644 -10.0644 -3.1261 -3.1261 -3.0806 -3.0806 -3.0322 -3.0322 -2.8947 -2.8947 -2.5241 -2.5241 -2.4579 -2.4579 -2.3546 -2.3546 -2.2715 -2.2715 -2.2463 -2.2463 -2.1689 -2.1689 0.6610 0.6610 0.6951 0.6951 1.8735 1.8735 1.9158 1.9158 2.5189 2.5189 2.5381 2.5381 2.9936 2.9936 3.0188 3.0188 3.4547 3.4547 3.4746 3.4746 3.7985 3.7985 3.8226 3.8226 8.3503 8.3503 8.3656 8.3656 11.5756 11.5756 11.7194 11.7194 k = 0.1322 0.2289 0.1782 ( 4386 PWs) bands (ev): -11.8825 -11.8825 -11.8798 -11.8798 -10.0769 -10.0769 -10.0739 -10.0739 -3.1307 -3.1307 -3.0866 -3.0866 -3.0387 -3.0387 -2.9007 -2.9007 -2.5318 -2.5318 -2.4645 -2.4645 -2.3513 -2.3513 -2.2753 -2.2753 -2.2500 -2.2500 -2.1745 -2.1745 0.6678 0.6678 0.7016 0.7016 1.9190 1.9190 1.9611 1.9611 2.5511 2.5511 2.5692 2.5692 3.0263 3.0263 3.0516 3.0516 3.4703 3.4703 3.4896 3.4896 3.7962 3.7962 3.8205 3.8205 8.2923 8.2923 8.3077 8.3077 11.5452 11.5452 11.6783 11.6783 k = 0.1264 0.2190 0.1782 ( 4394 PWs) bands (ev): -11.8879 -11.8879 -11.8852 -11.8852 -10.0861 -10.0861 -10.0831 -10.0831 -3.1352 -3.1352 -3.0933 -3.0933 -3.0444 -3.0444 -2.9070 -2.9070 -2.5396 -2.5396 -2.4711 -2.4711 -2.3480 -2.3480 -2.2789 -2.2789 -2.2531 -2.2531 -2.1801 -2.1801 0.6736 0.6736 0.7071 0.7071 1.9656 1.9656 2.0074 2.0074 2.5838 2.5838 2.6007 2.6007 3.0589 3.0589 3.0842 3.0842 3.4859 3.4859 3.5045 3.5045 3.7934 3.7934 3.8179 3.8179 8.2336 8.2336 8.2491 8.2491 11.5088 11.5088 11.6308 11.6308 k = 0.1207 0.2090 0.1782 ( 4392 PWs) bands (ev): -11.8931 -11.8931 -11.8906 -11.8906 -10.0951 -10.0951 -10.0921 -10.0921 -3.1396 -3.1396 -3.1004 -3.1004 -3.0492 -3.0492 -2.9134 -2.9134 -2.5472 -2.5472 -2.4777 -2.4777 -2.3444 -2.3444 -2.2822 -2.2822 -2.2556 -2.2556 -2.1858 -2.1858 0.6785 0.6785 0.7114 0.7114 2.0133 2.0133 2.0546 2.0546 2.6166 2.6166 2.6321 2.6321 3.0916 3.0916 3.1168 3.1168 3.5013 3.5013 3.5190 3.5190 3.7902 3.7902 3.8148 3.8148 8.1747 8.1747 8.1901 8.1901 11.4668 11.4668 11.5776 11.5776 k = 0.1149 0.1991 0.1782 ( 4400 PWs) bands (ev): -11.8984 -11.8984 -11.8959 -11.8959 -10.1038 -10.1038 -10.1009 -10.1009 -3.1439 -3.1439 -3.1079 -3.1079 -3.0534 -3.0534 -2.9200 -2.9200 -2.5548 -2.5548 -2.4845 -2.4845 -2.3408 -2.3408 -2.2850 -2.2850 -2.2578 -2.2578 -2.1915 -2.1915 0.6824 0.6824 0.7148 0.7148 2.0620 2.0620 2.1027 2.1027 2.6492 2.6492 2.6631 2.6631 3.1242 3.1242 3.1492 3.1492 3.5165 3.5165 3.5330 3.5330 3.7866 3.7866 3.8114 3.8114 8.1155 8.1155 8.1309 8.1309 11.4199 11.4199 11.5200 11.5200 k = 0.1092 0.1891 0.1782 ( 4400 PWs) bands (ev): -11.9035 -11.9035 -11.9011 -11.9011 -10.1122 -10.1122 -10.1094 -10.1094 -3.1481 -3.1481 -3.1155 -3.1155 -3.0568 -3.0568 -2.9266 -2.9266 -2.5621 -2.5621 -2.4913 -2.4913 -2.3372 -2.3372 -2.2874 -2.2874 -2.2596 -2.2596 -2.1972 -2.1972 0.6855 0.6855 0.7170 0.7170 2.1117 2.1117 2.1517 2.1517 2.6811 2.6811 2.6935 2.6935 3.1567 3.1567 3.1815 3.1815 3.5313 3.5313 3.5466 3.5466 3.7828 3.7828 3.8076 3.8076 8.0565 8.0565 8.0718 8.0718 11.3689 11.3689 11.4588 11.4588 k = 0.1034 0.1792 0.1782 ( 4392 PWs) bands (ev): -11.9085 -11.9085 -11.9062 -11.9062 -10.1203 -10.1203 -10.1176 -10.1176 -3.1523 -3.1523 -3.1231 -3.1231 -3.0597 -3.0597 -2.9334 -2.9334 -2.5692 -2.5692 -2.4982 -2.4982 -2.3335 -2.3335 -2.2894 -2.2894 -2.2611 -2.2611 -2.2028 -2.2028 0.6877 0.6877 0.7183 0.7183 2.1623 2.1623 2.2016 2.2016 2.7121 2.7121 2.7229 2.7229 3.1892 3.1892 3.2135 3.2135 3.5456 3.5456 3.5595 3.5595 3.7789 3.7789 3.8037 3.8037 7.9978 7.9978 8.0129 8.0129 11.3145 11.3145 11.3951 11.3951 k = 0.0977 0.1692 0.1782 ( 4384 PWs) bands (ev): -11.9134 -11.9134 -11.9112 -11.9112 -10.1280 -10.1280 -10.1255 -10.1255 -3.1562 -3.1562 -3.1306 -3.1306 -3.0622 -3.0622 -2.9402 -2.9402 -2.5759 -2.5759 -2.5051 -2.5051 -2.3298 -2.3298 -2.2908 -2.2908 -2.2623 -2.2623 -2.2084 -2.2084 0.6891 0.6891 0.7187 0.7187 2.2138 2.2138 2.2521 2.2521 2.7417 2.7417 2.7511 2.7511 3.2213 3.2213 3.2449 3.2449 3.5593 3.5593 3.5717 3.5717 3.7751 3.7751 3.7998 3.7998 7.9397 7.9397 7.9546 7.9546 11.2578 11.2578 11.3299 11.3299 k = 0.0920 0.1593 0.1782 ( 4382 PWs) bands (ev): -11.9182 -11.9182 -11.9160 -11.9160 -10.1355 -10.1355 -10.1330 -10.1330 -3.1602 -3.1602 -3.1380 -3.1380 -3.0642 -3.0642 -2.9472 -2.9472 -2.5823 -2.5823 -2.5122 -2.5122 -2.3263 -2.3263 -2.2919 -2.2919 -2.2633 -2.2633 -2.2138 -2.2138 0.6898 0.6898 0.7183 0.7183 2.2659 2.2659 2.3034 2.3034 2.7698 2.7698 2.7777 2.7777 3.2526 3.2526 3.2754 3.2754 3.5724 3.5724 3.5834 3.5834 3.7715 3.7715 3.7960 3.7960 7.8826 7.8826 7.8970 7.8970 11.1995 11.1995 11.2639 11.2639 k = 0.0862 0.1493 0.1782 ( 4386 PWs) bands (ev): -11.9227 -11.9227 -11.9207 -11.9207 -10.1425 -10.1425 -10.1402 -10.1402 -3.1640 -3.1640 -3.1451 -3.1451 -3.0659 -3.0659 -2.9542 -2.9542 -2.5882 -2.5882 -2.5193 -2.5193 -2.3229 -2.3229 -2.2926 -2.2926 -2.2642 -2.2642 -2.2192 -2.2192 0.6899 0.6899 0.7171 0.7171 2.3185 2.3185 2.3551 2.3551 2.7960 2.7960 2.8027 2.8027 3.2827 3.2827 3.3043 3.3043 3.5849 3.5849 3.5946 3.5946 3.7685 3.7685 3.7925 3.7925 7.8266 7.8266 7.8406 7.8406 11.1404 11.1404 11.1979 11.1979 k = 0.0805 0.1394 0.1782 ( 4386 PWs) bands (ev): -11.9271 -11.9271 -11.9252 -11.9252 -10.1492 -10.1492 -10.1470 -10.1470 -3.1676 -3.1676 -3.1518 -3.1518 -3.0672 -3.0672 -2.9611 -2.9611 -2.5937 -2.5937 -2.5265 -2.5265 -2.3195 -2.3195 -2.2929 -2.2929 -2.2649 -2.2649 -2.2244 -2.2244 0.6894 0.6894 0.7153 0.7153 2.3715 2.3715 2.4071 2.4071 2.8203 2.8203 2.8259 2.8259 3.3107 3.3107 3.3311 3.3311 3.5970 3.5970 3.6059 3.6059 3.7662 3.7662 3.7895 3.7895 7.7721 7.7721 7.7856 7.7856 11.0815 11.0815 11.1327 11.1327 k = 0.0747 0.1294 0.1782 ( 4386 PWs) bands (ev): -11.9313 -11.9313 -11.9295 -11.9295 -10.1555 -10.1555 -10.1534 -10.1534 -3.1711 -3.1711 -3.1581 -3.1581 -3.0681 -3.0681 -2.9681 -2.9681 -2.5986 -2.5986 -2.5336 -2.5336 -2.3163 -2.3163 -2.2928 -2.2928 -2.2655 -2.2655 -2.2294 -2.2294 0.6886 0.6886 0.7130 0.7130 2.4246 2.4246 2.4592 2.4592 2.8426 2.8426 2.8473 2.8473 3.3357 3.3357 3.3546 3.3546 3.6090 3.6090 3.6178 3.6178 3.7648 3.7648 3.7872 3.7872 7.7193 7.7193 7.7323 7.7323 11.0234 11.0234 11.0689 11.0689 k = 0.0690 0.1195 0.1782 ( 4386 PWs) bands (ev): -11.9352 -11.9352 -11.9335 -11.9335 -10.1613 -10.1613 -10.1594 -10.1594 -3.1745 -3.1745 -3.1640 -3.1640 -3.0687 -3.0687 -2.9750 -2.9750 -2.6030 -2.6030 -2.5407 -2.5407 -2.3133 -2.3133 -2.2923 -2.2923 -2.2659 -2.2659 -2.2343 -2.2343 0.6874 0.6874 0.7103 0.7103 2.4776 2.4776 2.5112 2.5112 2.8629 2.8629 2.8669 2.8669 3.3566 3.3566 3.3738 3.3738 3.6214 3.6214 3.6308 3.6308 3.7643 3.7643 3.7856 3.7856 7.6687 7.6687 7.6811 7.6811 10.9667 10.9667 11.0071 11.0071 k = 0.0632 0.1095 0.1782 ( 4394 PWs) bands (ev): -11.9389 -11.9389 -11.9373 -11.9373 -10.1668 -10.1668 -10.1650 -10.1650 -3.1777 -3.1777 -3.1694 -3.1694 -3.0689 -3.0689 -2.9819 -2.9819 -2.6068 -2.6068 -2.5477 -2.5477 -2.3105 -2.3105 -2.2916 -2.2916 -2.2664 -2.2664 -2.2390 -2.2390 0.6860 0.6860 0.7072 0.7072 2.5302 2.5302 2.5628 2.5628 2.8813 2.8813 2.8847 2.8847 3.3722 3.3722 3.3878 3.3878 3.6352 3.6352 3.6455 3.6455 3.7649 3.7649 3.7847 3.7847 7.6206 7.6206 7.6322 7.6322 10.9122 10.9122 10.9479 10.9479 k = 0.0575 0.0995 0.1782 ( 4390 PWs) bands (ev): -11.9424 -11.9424 -11.9409 -11.9409 -10.1718 -10.1718 -10.1701 -10.1701 -3.1807 -3.1807 -3.1744 -3.1744 -3.0687 -3.0687 -2.9887 -2.9887 -2.6100 -2.6100 -2.5545 -2.5545 -2.3078 -2.3078 -2.2906 -2.2906 -2.2667 -2.2667 -2.2435 -2.2435 0.6844 0.6844 0.7040 0.7040 2.5820 2.5820 2.6136 2.6136 2.8977 2.8977 2.9009 2.9009 3.3818 3.3818 3.3959 3.3959 3.6507 3.6507 3.6619 3.6619 3.7664 3.7664 3.7847 3.7847 7.5752 7.5752 7.5860 7.5860 10.8603 10.8603 10.8918 10.8918 k = 0.0517 0.0896 0.1782 ( 4388 PWs) bands (ev): -11.9455 -11.9455 -11.9442 -11.9442 -10.1763 -10.1763 -10.1748 -10.1748 -3.1835 -3.1835 -3.1788 -3.1788 -3.0681 -3.0681 -2.9953 -2.9953 -2.6125 -2.6125 -2.5612 -2.5612 -2.3053 -2.3053 -2.2894 -2.2894 -2.2671 -2.2671 -2.2478 -2.2478 0.6828 0.6828 0.7006 0.7006 2.6328 2.6328 2.6633 2.6633 2.9124 2.9124 2.9155 2.9155 3.3853 3.3853 3.3981 3.3981 3.6682 3.6682 3.6797 3.6797 3.7686 3.7686 3.7852 3.7852 7.5329 7.5329 7.5429 7.5429 10.8118 10.8118 10.8393 10.8393 k = 0.0460 0.0796 0.1782 ( 4380 PWs) bands (ev): -11.9483 -11.9483 -11.9471 -11.9471 -10.1804 -10.1804 -10.1790 -10.1790 -3.1861 -3.1861 -3.1827 -3.1827 -3.0671 -3.0671 -3.0017 -3.0017 -2.6144 -2.6144 -2.5676 -2.5676 -2.3027 -2.3027 -2.2881 -2.2881 -2.2674 -2.2674 -2.2518 -2.2518 0.6813 0.6813 0.6973 0.6973 2.6820 2.6820 2.7113 2.7113 2.9255 2.9255 2.9289 2.9289 3.3830 3.3830 3.3946 3.3946 3.6871 3.6871 3.6985 3.6985 3.7714 3.7714 3.7861 3.7861 7.4941 7.4941 7.5031 7.5031 10.7670 10.7670 10.7908 10.7908 k = 0.0402 0.0697 0.1782 ( 4382 PWs) bands (ev): -11.9509 -11.9509 -11.9498 -11.9498 -10.1840 -10.1840 -10.1828 -10.1828 -3.1885 -3.1885 -3.1862 -3.1862 -3.0658 -3.0658 -3.0081 -3.0081 -2.6157 -2.6157 -2.5738 -2.5738 -2.3004 -2.3004 -2.2867 -2.2867 -2.2678 -2.2678 -2.2556 -2.2556 0.6799 0.6799 0.6940 0.6940 2.7290 2.7290 2.7570 2.7570 2.9373 2.9373 2.9411 2.9411 3.3757 3.3757 3.3864 3.3864 3.7065 3.7065 3.7173 3.7173 3.7745 3.7745 3.7873 3.7873 7.4590 7.4590 7.4670 7.4670 10.7265 10.7265 10.7469 10.7469 k = 0.0345 0.0597 0.1782 ( 4390 PWs) bands (ev): -11.9531 -11.9531 -11.9522 -11.9522 -10.1871 -10.1871 -10.1861 -10.1861 -3.1907 -3.1907 -3.1892 -3.1892 -3.0640 -3.0640 -3.0142 -3.0142 -2.6164 -2.6164 -2.5799 -2.5799 -2.2981 -2.2981 -2.2854 -2.2854 -2.2682 -2.2682 -2.2592 -2.2592 0.6787 0.6787 0.6908 0.6908 2.7732 2.7732 2.7996 2.7996 2.9483 2.9483 2.9525 2.9525 3.3644 3.3644 3.3743 3.3743 3.7255 3.7255 3.7353 3.7353 3.7776 3.7776 3.7886 3.7886 7.4279 7.4279 7.4349 7.4349 10.6907 10.6907 10.7078 10.7078 k = 0.0287 0.0498 0.1782 ( 4390 PWs) bands (ev): -11.9550 -11.9550 -11.9542 -11.9542 -10.1897 -10.1897 -10.1889 -10.1889 -3.1926 -3.1926 -3.1917 -3.1917 -3.0619 -3.0619 -3.0201 -3.0201 -2.6165 -2.6165 -2.5855 -2.5855 -2.2958 -2.2958 -2.2842 -2.2842 -2.2687 -2.2687 -2.2625 -2.2625 0.6777 0.6777 0.6879 0.6879 2.8135 2.8135 2.8377 2.8377 2.9591 2.9591 2.9634 2.9634 3.3503 3.3503 3.3595 3.3595 3.7433 3.7433 3.7517 3.7517 3.7808 3.7808 3.7899 3.7899 7.4012 7.4012 7.4071 7.4071 10.6599 10.6599 10.6739 10.6739 k = 0.0230 0.0398 0.1782 ( 4386 PWs) bands (ev): -11.9565 -11.9565 -11.9559 -11.9559 -10.1919 -10.1919 -10.1912 -10.1912 -3.1941 -3.1941 -3.1937 -3.1937 -3.0593 -3.0593 -3.0257 -3.0257 -2.6158 -2.6158 -2.5907 -2.5907 -2.2935 -2.2935 -2.2832 -2.2832 -2.2691 -2.2691 -2.2654 -2.2654 0.6770 0.6770 0.6852 0.6852 2.8485 2.8485 2.8696 2.8696 2.9705 2.9705 2.9744 2.9744 3.3348 3.3348 3.3432 3.3432 3.7589 3.7589 3.7658 3.7658 3.7837 3.7837 3.7909 3.7909 7.3791 7.3791 7.3839 7.3839 10.6345 10.6345 10.6456 10.6456 k = 0.0172 0.0299 0.1782 ( 4378 PWs) bands (ev): -11.9577 -11.9577 -11.9572 -11.9572 -10.1936 -10.1936 -10.1930 -10.1930 -3.1953 -3.1953 -3.1951 -3.1951 -3.0563 -3.0563 -3.0310 -3.0310 -2.6145 -2.6145 -2.5955 -2.5955 -2.2912 -2.2912 -2.2826 -2.2826 -2.2696 -2.2696 -2.2678 -2.2678 0.6767 0.6767 0.6829 0.6829 2.8769 2.8769 2.8935 2.8935 2.9830 2.9830 2.9857 2.9857 3.3194 3.3194 3.3266 3.3266 3.7719 3.7719 3.7771 3.7771 3.7863 3.7863 3.7916 3.7916 7.3618 7.3618 7.3654 7.3654 10.6147 10.6147 10.6229 10.6229 k = 0.0115 0.0199 0.1782 ( 4370 PWs) bands (ev): -11.9585 -11.9585 -11.9582 -11.9582 -10.1947 -10.1947 -10.1944 -10.1944 -3.1962 -3.1962 -3.1961 -3.1961 -3.0529 -3.0529 -3.0360 -3.0360 -2.6127 -2.6127 -2.5999 -2.5999 -2.2889 -2.2889 -2.2826 -2.2826 -2.2701 -2.2701 -2.2694 -2.2694 0.6767 0.6767 0.6809 0.6809 2.8975 2.8975 2.9086 2.9086 2.9955 2.9955 2.9967 2.9967 3.3064 3.3064 3.3118 3.3118 3.7817 3.7817 3.7849 3.7849 3.7887 3.7887 3.7920 3.7920 7.3495 7.3495 7.3519 7.3519 10.6008 10.6008 10.6063 10.6063 k = 0.0057 0.0100 0.1782 ( 4362 PWs) bands (ev): -11.9590 -11.9590 -11.9588 -11.9588 -10.1954 -10.1954 -10.1952 -10.1952 -3.1967 -3.1967 -3.1967 -3.1967 -3.0492 -3.0492 -3.0407 -3.0407 -2.6103 -2.6103 -2.6039 -2.6039 -2.2867 -2.2867 -2.2834 -2.2834 -2.2704 -2.2704 -2.2703 -2.2703 0.6772 0.6772 0.6792 0.6792 2.9103 2.9103 2.9157 2.9157 3.0051 3.0051 3.0053 3.0053 3.2978 3.2978 3.3008 3.3008 3.7879 3.7879 3.7887 3.7887 3.7913 3.7913 3.7921 3.7921 7.3423 7.3423 7.3435 7.3435 10.5929 10.5929 10.5957 10.5957 k = 0.0000 0.0000 0.1782 ( 4362 PWs) bands (ev): -11.9591 -11.9591 -11.9591 -11.9591 -10.1955 -10.1955 -10.1955 -10.1955 -3.1969 -3.1969 -3.1969 -3.1969 -3.0451 -3.0451 -3.0451 -3.0451 -2.6073 -2.6073 -2.6073 -2.6073 -2.2848 -2.2848 -2.2848 -2.2848 -2.2706 -2.2706 -2.2706 -2.2706 0.6780 0.6780 0.6780 0.6780 2.9162 2.9162 2.9162 2.9162 3.0087 3.0087 3.0087 3.0087 3.2958 3.2958 3.2958 3.2958 3.7898 3.7898 3.7898 3.7898 3.7923 3.7923 3.7923 3.7923 7.3403 7.3403 7.3403 7.3403 10.5912 10.5912 10.5912 10.5912 k = 0.5000 0.2887 0.1782 ( 4360 PWs) bands (ev): -11.7895 -11.7895 -11.7895 -11.7895 -9.8894 -9.8894 -9.8894 -9.8894 -3.0851 -3.0851 -3.0851 -3.0851 -2.8246 -2.8246 -2.8246 -2.8246 -2.4734 -2.4734 -2.4734 -2.4734 -2.1897 -2.1897 -2.1897 -2.1897 -2.0608 -2.0608 -2.0608 -2.0608 0.3899 0.3899 0.3899 0.3899 1.0401 1.0401 1.0401 1.0401 2.2250 2.2250 2.2250 2.2250 2.6621 2.6621 2.6621 2.6621 3.5040 3.5040 3.5040 3.5040 3.6217 3.6217 3.6217 3.6217 8.9183 8.9183 8.9183 8.9183 11.0038 11.0038 11.0038 11.0038 k = 0.5000 0.2887 0.1671 ( 4364 PWs) bands (ev): -11.7896 -11.7896 -11.7894 -11.7894 -9.8898 -9.8898 -9.8891 -9.8891 -3.0858 -3.0858 -3.0844 -3.0844 -2.8268 -2.8268 -2.8224 -2.8224 -2.4747 -2.4747 -2.4722 -2.4722 -2.1922 -2.1922 -2.1873 -2.1873 -2.0620 -2.0620 -2.0598 -2.0598 0.3837 0.3837 0.3956 0.3956 1.0091 1.0091 1.0737 1.0737 2.2088 2.2088 2.2416 2.2416 2.6413 2.6413 2.6782 2.6782 3.5033 3.5033 3.5076 3.5076 3.6027 3.6027 3.6404 3.6404 8.8917 8.8917 8.9450 8.9450 10.9929 10.9929 11.0141 11.0141 k = 0.5000 0.2887 0.1559 ( 4358 PWs) bands (ev): -11.7898 -11.7898 -11.7892 -11.7892 -9.8901 -9.8901 -9.8888 -9.8888 -3.0864 -3.0864 -3.0837 -3.0837 -2.8290 -2.8290 -2.8202 -2.8202 -2.4758 -2.4758 -2.4710 -2.4710 -2.1945 -2.1945 -2.1849 -2.1849 -2.0631 -2.0631 -2.0588 -2.0588 0.3771 0.3771 0.4007 0.4007 0.9807 0.9807 1.1095 1.1095 2.1931 2.1931 2.2584 2.2584 2.6161 2.6161 2.6897 2.6897 3.5055 3.5055 3.5140 3.5140 3.5835 3.5835 3.6585 3.6585 8.8654 8.8654 8.9716 8.9716 10.9814 10.9814 11.0235 11.0235 k = 0.5000 0.2887 0.1448 ( 4358 PWs) bands (ev): -11.7899 -11.7899 -11.7891 -11.7891 -9.8904 -9.8904 -9.8884 -9.8884 -3.0870 -3.0870 -3.0830 -3.0830 -2.8311 -2.8311 -2.8180 -2.8180 -2.4769 -2.4769 -2.4698 -2.4698 -2.1969 -2.1969 -2.1826 -2.1825 -2.0642 -2.0642 -2.0578 -2.0578 0.3703 0.3703 0.4050 0.4050 0.9552 0.9552 1.1475 1.1475 2.1780 2.1780 2.2752 2.2752 2.5866 2.5866 2.6969 2.6969 3.5102 3.5102 3.5229 3.5229 3.5643 3.5643 3.6759 3.6759 8.8396 8.8396 8.9978 8.9978 10.9695 10.9695 11.0322 11.0322 k = 0.5000 0.2887 0.1336 ( 4352 PWs) bands (ev): -11.7900 -11.7900 -11.7889 -11.7889 -9.8907 -9.8907 -9.8881 -9.8881 -3.0876 -3.0876 -3.0824 -3.0824 -2.8331 -2.8331 -2.8158 -2.8158 -2.4779 -2.4779 -2.4686 -2.4686 -2.1991 -2.1991 -2.1802 -2.1802 -2.0653 -2.0653 -2.0568 -2.0568 0.3634 0.3634 0.4084 0.4084 0.9325 0.9325 1.1874 1.1874 2.1636 2.1636 2.2917 2.2917 2.5535 2.5535 2.7002 2.7002 3.5169 3.5169 3.5324 3.5324 3.5470 3.5470 3.6926 3.6926 8.8145 8.8145 9.0233 9.0233 10.9572 10.9572 11.0400 11.0400 k = 0.5000 0.2887 0.1225 ( 4362 PWs) bands (ev): -11.7902 -11.7902 -11.7888 -11.7888 -9.8910 -9.8910 -9.8878 -9.8878 -3.0883 -3.0883 -3.0818 -3.0818 -2.8350 -2.8350 -2.8137 -2.8137 -2.4790 -2.4790 -2.4675 -2.4675 -2.2014 -2.2014 -2.1780 -2.1780 -2.0665 -2.0665 -2.0560 -2.0560 0.3567 0.3567 0.4107 0.4107 0.9128 0.9128 1.2288 1.2288 2.1501 2.1501 2.3076 2.3076 2.5175 2.5175 2.7003 2.7003 3.5220 3.5220 3.5272 3.5272 3.5498 3.5498 3.7083 3.7083 8.7905 8.7905 9.0481 9.0481 10.9448 10.9448 11.0470 11.0470 k = 0.5000 0.2887 0.1114 ( 4366 PWs) bands (ev): -11.7903 -11.7903 -11.7887 -11.7887 -9.8913 -9.8913 -9.8875 -9.8875 -3.0889 -3.0889 -3.0812 -3.0812 -2.8369 -2.8369 -2.8118 -2.8118 -2.4800 -2.4800 -2.4664 -2.4664 -2.2036 -2.2036 -2.1760 -2.1760 -2.0676 -2.0676 -2.0552 -2.0552 0.3501 0.3501 0.4122 0.4122 0.8959 0.8959 1.2717 1.2717 2.1374 2.1374 2.3222 2.3222 2.4795 2.4795 2.6976 2.6976 3.5054 3.5054 3.5356 3.5356 3.5634 3.5634 3.7229 3.7229 8.7676 8.7676 9.0717 9.0717 10.9325 10.9325 11.0531 11.0531 k = 0.5000 0.2887 0.1002 ( 4374 PWs) bands (ev): -11.7904 -11.7904 -11.7886 -11.7886 -9.8916 -9.8916 -9.8873 -9.8873 -3.0894 -3.0894 -3.0807 -3.0807 -2.8386 -2.8386 -2.8099 -2.8099 -2.4810 -2.4810 -2.4653 -2.4653 -2.2056 -2.2056 -2.1740 -2.1740 -2.0687 -2.0687 -2.0546 -2.0546 0.3439 0.3439 0.4126 0.4126 0.8818 0.8818 1.3154 1.3154 2.1257 2.1257 2.3340 2.3340 2.4416 2.4416 2.6930 2.6930 3.4878 3.4878 3.5459 3.5459 3.5782 3.5782 3.7365 3.7365 8.7462 8.7462 9.0940 9.0940 10.9203 10.9203 11.0584 11.0584 k = 0.5000 0.2887 0.0891 ( 4358 PWs) bands (ev): -11.7905 -11.7905 -11.7885 -11.7885 -9.8918 -9.8918 -9.8870 -9.8870 -3.0899 -3.0899 -3.0801 -3.0801 -2.8401 -2.8401 -2.8081 -2.8081 -2.4818 -2.4818 -2.4642 -2.4642 -2.2073 -2.2073 -2.1720 -2.1720 -2.0696 -2.0696 -2.0538 -2.0538 0.3380 0.3380 0.4123 0.4123 0.8702 0.8702 1.3598 1.3598 2.1151 2.1151 2.3376 2.3376 2.4097 2.4097 2.6871 2.6871 3.4710 3.4710 3.5565 3.5565 3.5931 3.5931 3.7489 3.7489 8.7264 8.7264 9.1148 9.1148 10.9087 10.9087 11.0629 11.0629 k = 0.5000 0.2887 0.0780 ( 4358 PWs) bands (ev): -11.7906 -11.7906 -11.7884 -11.7884 -9.8921 -9.8921 -9.8868 -9.8868 -3.0903 -3.0903 -3.0796 -3.0796 -2.8414 -2.8414 -2.8065 -2.8065 -2.4825 -2.4825 -2.4633 -2.4633 -2.2090 -2.2090 -2.1703 -2.1703 -2.0705 -2.0705 -2.0533 -2.0533 0.3327 0.3327 0.4113 0.4113 0.8610 0.8610 1.4042 1.4042 2.1055 2.1055 2.3208 2.3208 2.3964 2.3964 2.6804 2.6804 3.4552 3.4552 3.5669 3.5669 3.6075 3.6075 3.7600 3.7600 8.7084 8.7084 9.1338 9.1338 10.8976 10.8976 11.0666 11.0666 k = 0.5000 0.2887 0.0668 ( 4368 PWs) bands (ev): -11.7907 -11.7907 -11.7883 -11.7883 -9.8923 -9.8923 -9.8866 -9.8866 -3.0907 -3.0907 -3.0793 -3.0793 -2.8427 -2.8427 -2.8051 -2.8051 -2.4832 -2.4832 -2.4626 -2.4626 -2.2105 -2.2105 -2.1689 -2.1689 -2.0714 -2.0714 -2.0528 -2.0528 0.3280 0.3280 0.4098 0.4098 0.8538 0.8538 1.4480 1.4480 2.0971 2.0971 2.2864 2.2864 2.3997 2.3997 2.6735 2.6735 3.4409 3.4409 3.5767 3.5767 3.6210 3.6210 3.7697 3.7697 8.6924 8.6924 9.1508 9.1508 10.8875 10.8875 11.0697 11.0697 k = 0.5000 0.2887 0.0557 ( 4364 PWs) bands (ev): -11.7908 -11.7908 -11.7882 -11.7882 -9.8924 -9.8924 -9.8864 -9.8864 -3.0910 -3.0910 -3.0789 -3.0789 -2.8437 -2.8437 -2.8038 -2.8038 -2.4837 -2.4837 -2.4619 -2.4619 -2.2118 -2.2118 -2.1675 -2.1675 -2.0721 -2.0721 -2.0524 -2.0524 0.3238 0.3238 0.4080 0.4080 0.8484 0.8484 1.4903 1.4903 2.0897 2.0897 2.2475 2.2475 2.4075 2.4075 2.6668 2.6668 3.4283 3.4283 3.5855 3.5855 3.6330 3.6330 3.7780 3.7780 8.6785 8.6785 9.1656 9.1656 10.8785 10.8785 11.0722 11.0722 k = 0.5000 0.2887 0.0445 ( 4366 PWs) bands (ev): -11.7908 -11.7908 -11.7882 -11.7882 -9.8926 -9.8926 -9.8863 -9.8863 -3.0913 -3.0913 -3.0786 -3.0786 -2.8446 -2.8446 -2.8028 -2.8028 -2.4842 -2.4842 -2.4613 -2.4613 -2.2129 -2.2129 -2.1664 -2.1664 -2.0728 -2.0728 -2.0521 -2.0521 0.3204 0.3204 0.4062 0.4062 0.8445 0.8445 1.5297 1.5297 2.0835 2.0835 2.2094 2.2094 2.4155 2.4155 2.6609 2.6609 3.4175 3.4175 3.5931 3.5931 3.6433 3.6433 3.7849 3.7849 8.6670 8.6670 9.1780 9.1780 10.8708 10.8708 11.0742 11.0742 k = 0.5000 0.2887 0.0334 ( 4358 PWs) bands (ev): -11.7909 -11.7909 -11.7881 -11.7881 -9.8927 -9.8927 -9.8862 -9.8862 -3.0915 -3.0915 -3.0783 -3.0783 -2.8453 -2.8453 -2.8019 -2.8019 -2.4845 -2.4845 -2.4608 -2.4608 -2.2138 -2.2138 -2.1655 -2.1655 -2.0733 -2.0733 -2.0518 -2.0518 0.3177 0.3177 0.4046 0.4046 0.8417 0.8417 1.5647 1.5647 2.0783 2.0783 2.1754 2.1754 2.4223 2.4223 2.6559 2.6559 3.4089 3.4089 3.5993 3.5993 3.6516 3.6516 3.7904 3.7904 8.6579 8.6579 9.1879 9.1879 10.8647 10.8647 11.0756 11.0756 k = 0.5000 0.2887 0.0223 ( 4348 PWs) bands (ev): -11.7909 -11.7909 -11.7881 -11.7881 -9.8928 -9.8928 -9.8861 -9.8861 -3.0916 -3.0916 -3.0781 -3.0781 -2.8457 -2.8457 -2.8013 -2.8013 -2.4847 -2.4847 -2.4603 -2.4603 -2.2143 -2.2143 -2.1648 -2.1648 -2.0736 -2.0736 -2.0515 -2.0515 0.3157 0.3157 0.4033 0.4033 0.8399 0.8399 1.5928 1.5928 2.0741 2.0741 2.1482 2.1482 2.4275 2.4275 2.6522 2.6522 3.4027 3.4027 3.6038 3.6038 3.6577 3.6577 3.7943 3.7943 8.6513 8.6513 9.1950 9.1950 10.8601 10.8601 11.0766 11.0766 k = 0.5000 0.2887 0.0111 ( 4336 PWs) bands (ev): -11.7909 -11.7909 -11.7881 -11.7881 -9.8928 -9.8928 -9.8860 -9.8860 -3.0916 -3.0916 -3.0779 -3.0779 -2.8459 -2.8459 -2.8008 -2.8008 -2.4848 -2.4848 -2.4601 -2.4601 -2.2146 -2.2146 -2.1644 -2.1644 -2.0737 -2.0737 -2.0513 -2.0513 0.3146 0.3146 0.4025 0.4025 0.8389 0.8389 1.6113 1.6113 2.0710 2.0710 2.1306 2.1306 2.4307 2.4307 2.6499 2.6499 3.3988 3.3988 3.6065 3.6066 3.6614 3.6614 3.7967 3.7967 8.6473 8.6473 9.1994 9.1994 10.8574 10.8574 11.0772 11.0772 k = 0.5000 0.2887-0.0000 ( 4338 PWs) bands (ev): -11.7909 -11.7909 -11.7881 -11.7881 -9.8928 -9.8928 -9.8860 -9.8860 -3.0917 -3.0917 -3.0779 -3.0779 -2.8460 -2.8460 -2.8007 -2.8007 -2.4849 -2.4849 -2.4600 -2.4600 -2.2148 -2.2148 -2.1643 -2.1643 -2.0738 -2.0738 -2.0513 -2.0513 0.3142 0.3142 0.4022 0.4022 0.8386 0.8386 1.6178 1.6178 2.0699 2.0699 2.1246 2.1246 2.4318 2.4318 2.6491 2.6491 3.3975 3.3975 3.6075 3.6075 3.6627 3.6627 3.7974 3.7974 8.6460 8.6460 9.2008 9.2008 10.8564 10.8564 11.0774 11.0774 k = 0.3333 0.5774-0.0000 ( 4350 PWs) bands (ev): -11.7753 -11.7753 -11.7703 -11.7703 -9.8451 -9.8449 -9.8419 -9.8419 -2.9868 -2.9789 -2.9789 -2.9404 -2.9404 -2.9284 -2.8100 -2.8100 -2.4052 -2.4052 -2.3069 -2.2475 -2.2475 -2.2361 -2.2139 -2.2139 -2.1963 -2.1939 -2.0465 -2.0465 0.4966 0.5011 0.5334 0.5334 1.2615 1.2708 1.2827 1.2827 1.3742 1.3742 1.7759 1.7759 2.3678 2.3869 2.3975 2.3975 3.1380 3.1380 3.4594 3.4757 3.4774 3.4774 3.7994 3.7994 9.3855 9.3918 9.4007 9.4007 11.8100 11.8100 12.3097 12.4594 k = 0.3333 0.5774 0.0111 ( 4365 PWs) bands (ev): -11.7753 -11.7753 -11.7703 -11.7703 -9.8451 -9.8449 -9.8419 -9.8419 -2.9867 -2.9789 -2.9789 -2.9406 -2.9406 -2.9287 -2.8101 -2.8101 -2.4052 -2.4052 -2.3068 -2.2476 -2.2476 -2.2364 -2.2139 -2.2139 -2.1964 -2.1940 -2.0466 -2.0466 0.4961 0.5005 0.5328 0.5328 1.2631 1.2725 1.2843 1.2843 1.3750 1.3750 1.7745 1.7745 2.3658 2.3848 2.3954 2.3954 3.1400 3.1400 3.4604 3.4766 3.4784 3.4784 3.7980 3.7980 9.3856 9.3918 9.4008 9.4008 11.8118 11.8118 12.3099 12.4588 k = 0.3333 0.5774 0.0223 ( 4365 PWs) bands (ev): -11.7753 -11.7753 -11.7703 -11.7703 -9.8451 -9.8450 -9.8419 -9.8419 -2.9863 -2.9787 -2.9787 -2.9408 -2.9408 -2.9291 -2.8101 -2.8101 -2.4050 -2.4050 -2.3063 -2.2477 -2.2477 -2.2370 -2.2140 -2.2140 -2.1964 -2.1940 -2.0466 -2.0466 0.4946 0.4989 0.5311 0.5311 1.2680 1.2774 1.2893 1.2893 1.3773 1.3773 1.7704 1.7704 2.3598 2.3788 2.3893 2.3893 3.1458 3.1458 3.4634 3.4794 3.4812 3.4812 3.7938 3.7938 9.3858 9.3920 9.4010 9.4010 11.8173 11.8173 12.3105 12.4572 k = 0.3333 0.5774 0.0334 ( 4359 PWs) bands (ev): -11.7753 -11.7753 -11.7704 -11.7704 -9.8451 -9.8449 -9.8419 -9.8419 -2.9856 -2.9784 -2.9784 -2.9411 -2.9411 -2.9297 -2.8101 -2.8101 -2.4048 -2.4048 -2.3054 -2.2478 -2.2478 -2.2379 -2.2140 -2.2140 -2.1963 -2.1938 -2.0467 -2.0467 0.4921 0.4962 0.5283 0.5283 1.2759 1.2854 1.2973 1.2973 1.3812 1.3812 1.7636 1.7636 2.3500 2.3689 2.3794 2.3794 3.1554 3.1554 3.4682 3.4838 3.4858 3.4858 3.7870 3.7870 9.3862 9.3923 9.4013 9.4013 11.8265 11.8265 12.3115 12.4544 k = 0.3333 0.5774 0.0445 ( 4359 PWs) bands (ev): -11.7752 -11.7752 -11.7704 -11.7704 -9.8451 -9.8449 -9.8419 -9.8419 -2.9846 -2.9779 -2.9779 -2.9416 -2.9416 -2.9307 -2.8101 -2.8101 -2.4045 -2.4045 -2.3043 -2.2481 -2.2481 -2.2392 -2.2140 -2.2140 -2.1962 -2.1938 -2.0467 -2.0467 0.4888 0.4927 0.5247 0.5247 1.2867 1.2963 1.3082 1.3082 1.3866 1.3866 1.7543 1.7543 2.3369 2.3555 2.3660 2.3660 3.1687 3.1687 3.4747 3.4896 3.4920 3.4920 3.7774 3.7774 9.3867 9.3926 9.4017 9.4017 11.8392 11.8392 12.3128 12.4507 k = 0.3333 0.5774 0.0557 ( 4365 PWs) bands (ev): -11.7752 -11.7752 -11.7704 -11.7704 -9.8451 -9.8450 -9.8419 -9.8419 -2.9835 -2.9774 -2.9774 -2.9422 -2.9422 -2.9320 -2.8101 -2.8101 -2.4041 -2.4041 -2.3030 -2.2484 -2.2484 -2.2408 -2.2141 -2.2141 -2.1961 -2.1938 -2.0468 -2.0468 0.4848 0.4885 0.5203 0.5203 1.3001 1.3098 1.3216 1.3216 1.3935 1.3935 1.7428 1.7428 2.3207 2.3390 2.3496 2.3496 3.1852 3.1852 3.4824 3.4966 3.4992 3.4992 3.7652 3.7652 9.3874 9.3930 9.4022 9.4022 11.8553 11.8553 12.3146 12.4460 k = 0.3333 0.5774 0.0668 ( 4362 PWs) bands (ev): -11.7752 -11.7752 -11.7704 -11.7704 -9.8451 -9.8450 -9.8419 -9.8419 -2.9820 -2.9767 -2.9767 -2.9429 -2.9429 -2.9335 -2.8101 -2.8101 -2.4036 -2.4036 -2.3013 -2.2488 -2.2488 -2.2427 -2.2141 -2.2141 -2.1960 -2.1937 -2.0468 -2.0468 0.4804 0.4838 0.5155 0.5155 1.3156 1.3254 1.3370 1.3370 1.4021 1.4021 1.7293 1.7293 2.3022 2.3201 2.3306 2.3306 3.2048 3.2048 3.4910 3.5043 3.5074 3.5074 3.7506 3.7506 9.3882 9.3935 9.4028 9.4028 11.8746 11.8746 12.3168 12.4404 k = 0.3333 0.5774 0.0780 ( 4371 PWs) bands (ev): -11.7752 -11.7752 -11.7705 -11.7705 -9.8451 -9.8450 -9.8419 -9.8419 -2.9804 -2.9760 -2.9760 -2.9437 -2.9437 -2.9353 -2.8101 -2.8101 -2.4032 -2.4032 -2.2994 -2.2492 -2.2492 -2.2449 -2.2142 -2.2142 -2.1959 -2.1938 -2.0469 -2.0469 0.4758 0.4788 0.5104 0.5104 1.3329 1.3426 1.3540 1.3540 1.4122 1.4122 1.7141 1.7141 2.2818 2.2991 2.3097 2.3097 3.2271 3.2271 3.5003 3.5125 3.5160 3.5160 3.7335 3.7335 9.3890 9.3940 9.4035 9.4035 11.8970 11.8970 12.3194 12.4342 k = 0.3333 0.5774 0.0891 ( 4371 PWs) bands (ev): -11.7751 -11.7751 -11.7705 -11.7705 -9.8451 -9.8450 -9.8419 -9.8419 -2.9785 -2.9752 -2.9752 -2.9446 -2.9446 -2.9372 -2.8101 -2.8101 -2.4027 -2.4027 -2.2972 -2.2496 -2.2496 -2.2474 -2.2142 -2.2142 -2.1957 -2.1938 -2.0470 -2.0470 0.4711 0.4738 0.5052 0.5052 1.3513 1.3609 1.3719 1.3719 1.4238 1.4238 1.6974 1.6974 2.2604 2.2768 2.2876 2.2876 3.2518 3.2518 3.5097 3.5208 3.5248 3.5248 3.7142 3.7142 9.3899 9.3944 9.4041 9.4041 11.9222 11.9222 12.3226 12.4273 k = 0.3333 0.5774 0.1002 ( 4371 PWs) bands (ev): -11.7751 -11.7751 -11.7705 -11.7705 -9.8451 -9.8450 -9.8419 -9.8419 -2.9764 -2.9743 -2.9743 -2.9455 -2.9455 -2.9394 -2.8101 -2.8101 -2.4021 -2.4021 -2.2947 -2.2501 -2.2501 -2.2501 -2.2143 -2.2143 -2.1956 -2.1938 -2.0471 -2.0471 0.4664 0.4688 0.5001 0.5001 1.3704 1.3796 1.3902 1.3902 1.4368 1.4368 1.6796 1.6796 2.2386 2.2540 2.2650 2.2650 3.2785 3.2785 3.5190 3.5289 3.5334 3.5334 3.6928 3.6928 9.3909 9.3949 9.4048 9.4048 11.9497 11.9497 12.3262 12.4200 k = 0.3333 0.5774 0.1114 ( 4371 PWs) bands (ev): -11.7751 -11.7751 -11.7705 -11.7705 -9.8451 -9.8450 -9.8419 -9.8419 -2.9741 -2.9734 -2.9734 -2.9465 -2.9465 -2.9417 -2.8101 -2.8101 -2.4016 -2.4016 -2.2920 -2.2530 -2.2504 -2.2504 -2.2143 -2.2143 -2.1954 -2.1938 -2.0471 -2.0471 0.4621 0.4641 0.4953 0.4953 1.3894 1.3982 1.4083 1.4083 1.4511 1.4511 1.6609 1.6609 2.2172 2.2313 2.2426 2.2426 3.3068 3.3068 3.5278 3.5365 3.5414 3.5414 3.6695 3.6695 9.3918 9.3953 9.4055 9.4055 11.9793 11.9793 12.3303 12.4123 k = 0.3333 0.5774 0.1225 ( 4359 PWs) bands (ev): -11.7750 -11.7750 -11.7706 -11.7706 -9.8450 -9.8450 -9.8419 -9.8419 -2.9725 -2.9725 -2.9716 -2.9473 -2.9473 -2.9441 -2.8101 -2.8101 -2.4011 -2.4011 -2.2891 -2.2560 -2.2507 -2.2507 -2.2143 -2.2143 -2.1952 -2.1938 -2.0472 -2.0472 0.4582 0.4599 0.4910 0.4910 1.4078 1.4158 1.4257 1.4257 1.4663 1.4663 1.6417 1.6417 2.1971 2.2097 2.2214 2.2214 3.3365 3.3365 3.5359 3.5432 3.5485 3.5485 3.6446 3.6446 9.3927 9.3957 9.4061 9.4061 12.0104 12.0104 12.3350 12.4044 k = 0.3333 0.5774 0.1336 ( 4374 PWs) bands (ev): -11.7750 -11.7750 -11.7706 -11.7706 -9.8450 -9.8450 -9.8419 -9.8419 -2.9717 -2.9717 -2.9692 -2.9482 -2.9482 -2.9468 -2.8101 -2.8101 -2.4008 -2.4008 -2.2861 -2.2593 -2.2511 -2.2511 -2.2145 -2.2145 -2.1951 -2.1939 -2.0473 -2.0473 0.4549 0.4562 0.4873 0.4873 1.4246 1.4315 1.4421 1.4421 1.4818 1.4818 1.6221 1.6221 2.1793 2.1899 2.2022 2.2022 3.3670 3.3670 3.5430 3.5489 3.5541 3.5541 3.6185 3.6185 9.3935 9.3960 9.4066 9.4066 12.0422 12.0422 12.3401 12.3964 k = 0.3333 0.5774 0.1448 ( 4356 PWs) bands (ev): -11.7750 -11.7750 -11.7706 -11.7706 -9.8450 -9.8450 -9.8419 -9.8419 -2.9709 -2.9709 -2.9664 -2.9494 -2.9489 -2.9489 -2.8100 -2.8100 -2.4003 -2.4003 -2.2829 -2.2626 -2.2513 -2.2513 -2.2144 -2.2144 -2.1948 -2.1939 -2.0472 -2.0472 0.4522 0.4532 0.4843 0.4843 1.4391 1.4447 1.4568 1.4568 1.4974 1.4974 1.6026 1.6026 2.1646 2.1729 2.1861 2.1861 3.3982 3.3982 3.5489 3.5534 3.5573 3.5573 3.5925 3.5925 9.3942 9.3961 9.4070 9.4070 12.0733 12.0733 12.3458 12.3884 k = 0.3333 0.5774 0.1559 ( 4356 PWs) bands (ev): -11.7750 -11.7750 -11.7706 -11.7706 -9.8450 -9.8450 -9.8419 -9.8419 -2.9703 -2.9703 -2.9636 -2.9522 -2.9495 -2.9495 -2.8100 -2.8100 -2.4001 -2.4001 -2.2796 -2.2660 -2.2516 -2.2516 -2.2144 -2.2144 -2.1947 -2.1940 -2.0472 -2.0472 0.4503 0.4510 0.4821 0.4821 1.4505 1.4544 1.4688 1.4688 1.5130 1.5130 1.5833 1.5833 2.1538 2.1596 2.1737 2.1737 3.4294 3.4294 3.5504 3.5504 3.5534 3.5564 3.5743 3.5743 9.3949 9.3961 9.4073 9.4073 12.1016 12.1016 12.3504 12.3519 k = 0.3333 0.5774 0.1671 ( 4356 PWs) bands (ev): -11.7750 -11.7750 -11.7706 -11.7706 -9.8450 -9.8450 -9.8419 -9.8419 -2.9699 -2.9699 -2.9608 -2.9551 -2.9498 -2.9498 -2.8100 -2.8100 -2.3999 -2.3999 -2.2763 -2.2694 -2.2517 -2.2517 -2.2144 -2.2144 -2.1945 -2.1942 -2.0472 -2.0472 0.4492 0.4496 0.4808 0.4808 1.4581 1.4601 1.4768 1.4768 1.5290 1.5290 1.5647 1.5647 2.1476 2.1506 2.1660 2.1660 3.4596 3.4596 3.5269 3.5269 3.5565 3.5580 3.5713 3.5713 9.3954 9.3960 9.4075 9.4075 12.1230 12.1230 12.3289 12.3289 k = 0.3333 0.5774 0.1782 ( 4368 PWs) bands (ev): -11.7750 -11.7750 -11.7706 -11.7706 -9.8450 -9.8450 -9.8419 -9.8419 -2.9699 -2.9699 -2.9580 -2.9580 -2.9500 -2.9500 -2.8100 -2.8100 -2.3999 -2.3999 -2.2729 -2.2729 -2.2518 -2.2518 -2.2145 -2.2145 -2.1944 -2.1944 -2.0473 -2.0473 0.4490 0.4490 0.4803 0.4803 1.4614 1.4614 1.4796 1.4796 1.5428 1.5428 1.5498 1.5498 2.1465 2.1465 2.1633 2.1633 3.4798 3.4798 3.5078 3.5078 3.5580 3.5580 3.5713 3.5713 9.3958 9.3958 9.4076 9.4076 12.1313 12.1313 12.3205 12.3205 Writing output data file CdClO.save init_run : 1.92s CPU 1.20s WALL ( 1 calls) electrons : 309.18s CPU 224.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.02s WALL ( 1 calls) potinit : 0.16s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 309.17s CPU 224.01s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.52s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.49s CPU 0.66s WALL ( 331 calls) cegterg : 276.13s CPU 203.71s WALL ( 385 calls) Called by sum_band: Called by *egterg: h_psi : 147.28s CPU 98.11s WALL ( 6764 calls) s_psi : 13.09s CPU 8.36s WALL ( 6764 calls) g_psi : 0.43s CPU 0.28s WALL ( 6048 calls) cdiaghg : 102.06s CPU 83.05s WALL ( 6379 calls) cegterg:over : 14.66s CPU 10.51s WALL ( 6048 calls) cegterg:upda : 12.66s CPU 9.38s WALL ( 6048 calls) cegterg:last : 5.58s CPU 4.26s WALL ( 1156 calls) cdiaghg:chol : 5.92s CPU 4.80s WALL ( 6379 calls) cdiaghg:inve : 3.90s CPU 3.20s WALL ( 6379 calls) cdiaghg:para : 6.48s CPU 5.67s WALL ( 12758 calls) Called by h_psi: h_psi:vloc : 116.27s CPU 77.83s WALL ( 6764 calls) h_psi:vnl : 30.52s CPU 19.99s WALL ( 6764 calls) add_vuspsi : 17.51s CPU 11.10s WALL ( 6764 calls) General routines calbec : 12.99s CPU 8.86s WALL ( 6764 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 99.25s CPU 65.81s WALL ( 908212 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.46s CPU 0.98s WALL ( 662 calls) Parallel routines fft_scatter : 57.68s CPU 39.08s WALL ( 908235 calls) PWSCF : 5m30.47s CPU 4m16.59s WALL This run was terminated on: 15:45:57 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=