Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 1:47:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./BiI3.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 86 34 9 5102 1292 189 Max 87 35 10 5107 1317 196 Sum 6205 2515 691 367553 93807 13799 bravais-lattice index = 14 lattice parameter (alat) = 14.0407 a.u. unit-cell volume = 2227.4376 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.040664 celldm(2)= 1.000000 celldm(3)= 0.929206 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.929206 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.076188 ) PseudoPot. # 1 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 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 Bi 15.00 208.98040 Bi( 1.00) I 7.00 126.90450 I( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 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 [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 216 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0046296 k( 6) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0046296 k( 7) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0046296 k( 8) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0046296 k( 9) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0046296 k( 10) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0046296 k( 11) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0046296 k( 12) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0046296 k( 13) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0046296 k( 14) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0046296 k( 15) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0046296 k( 16) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0046296 k( 17) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0046296 k( 18) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0046296 k( 19) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0046296 k( 20) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0046296 k( 21) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0046296 k( 22) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0046296 k( 23) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0046296 k( 24) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0046296 k( 25) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0046296 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046296 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046296 k( 28) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0046296 k( 29) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0046296 k( 30) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0046296 k( 31) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0046296 k( 32) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0046296 k( 33) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0046296 k( 34) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0046296 k( 35) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0046296 k( 36) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0046296 k( 37) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0046296 k( 38) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0046296 k( 39) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0046296 k( 40) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0046296 k( 41) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0046296 k( 42) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046296 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046296 k( 44) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0046296 k( 45) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0046296 k( 47) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0046296 k( 48) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0046296 k( 49) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0046296 k( 50) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0046296 k( 51) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0046296 k( 52) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0046296 k( 53) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0046296 k( 54) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0046296 k( 55) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0046296 k( 56) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0046296 k( 57) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0046296 k( 58) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0046296 k( 59) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0046296 k( 60) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0046296 k( 61) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0046296 k( 62) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0046296 k( 63) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0046296 k( 64) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0046296 k( 65) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0046296 k( 66) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0046296 k( 67) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0046296 k( 68) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0046296 k( 69) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0046296 k( 70) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0046296 k( 71) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0046296 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 74) = ( 0.0000000 0.0000000 0.0233954), wk = 0.0046296 k( 75) = ( 0.0000000 0.0000000 0.0467908), wk = 0.0046296 k( 76) = ( 0.0000000 0.0000000 0.0701862), wk = 0.0046296 k( 77) = ( 0.0000000 0.0000000 0.0935815), wk = 0.0046296 k( 78) = ( 0.0000000 0.0000000 0.1169769), wk = 0.0046296 k( 79) = ( 0.0000000 0.0000000 0.1403723), wk = 0.0046296 k( 80) = ( 0.0000000 0.0000000 0.1637677), wk = 0.0046296 k( 81) = ( 0.0000000 0.0000000 0.1871631), wk = 0.0046296 k( 82) = ( 0.0000000 0.0000000 0.2105585), wk = 0.0046296 k( 83) = ( 0.0000000 0.0000000 0.2339538), wk = 0.0046296 k( 84) = ( 0.0000000 0.0000000 0.2573492), wk = 0.0046296 k( 85) = ( 0.0000000 0.0000000 0.2807446), wk = 0.0046296 k( 86) = ( 0.0000000 0.0000000 0.3041400), wk = 0.0046296 k( 87) = ( 0.0000000 0.0000000 0.3275354), wk = 0.0046296 k( 88) = ( 0.0000000 0.0000000 0.3509308), wk = 0.0046296 k( 89) = ( 0.0000000 0.0000000 0.3743262), wk = 0.0046296 k( 90) = ( 0.0000000 0.0000000 0.3977216), wk = 0.0046296 k( 91) = ( 0.0000000 0.0000000 0.4211169), wk = 0.0046296 k( 92) = ( 0.0000000 0.0000000 0.4445123), wk = 0.0046296 k( 93) = ( 0.0000000 0.0000000 0.4679077), wk = 0.0046296 k( 94) = ( 0.0000000 0.0000000 0.4913031), wk = 0.0046296 k( 95) = ( 0.0000000 0.0000000 0.5146985), wk = 0.0046296 k( 96) = ( 0.0000000 0.0000000 0.5380939), wk = 0.0046296 k( 97) = ( 0.0000000 0.0000000 0.5380939), wk = 0.0046296 k( 98) = ( 0.0200000 0.0115470 0.5380939), wk = 0.0046296 k( 99) = ( 0.0400000 0.0230940 0.5380939), wk = 0.0046296 k( 100) = ( 0.0600000 0.0346410 0.5380939), wk = 0.0046296 k( 101) = ( 0.0800000 0.0461880 0.5380939), wk = 0.0046296 k( 102) = ( 0.1000000 0.0577350 0.5380939), wk = 0.0046296 k( 103) = ( 0.1200000 0.0692820 0.5380939), wk = 0.0046296 k( 104) = ( 0.1400000 0.0808290 0.5380939), wk = 0.0046296 k( 105) = ( 0.1600000 0.0923760 0.5380939), wk = 0.0046296 k( 106) = ( 0.1800000 0.1039230 0.5380939), wk = 0.0046296 k( 107) = ( 0.2000000 0.1154701 0.5380939), wk = 0.0046296 k( 108) = ( 0.2200000 0.1270171 0.5380939), wk = 0.0046296 k( 109) = ( 0.2400000 0.1385641 0.5380939), wk = 0.0046296 k( 110) = ( 0.2600000 0.1501111 0.5380939), wk = 0.0046296 k( 111) = ( 0.2800000 0.1616581 0.5380939), wk = 0.0046296 k( 112) = ( 0.3000000 0.1732051 0.5380939), wk = 0.0046296 k( 113) = ( 0.3200000 0.1847521 0.5380939), wk = 0.0046296 k( 114) = ( 0.3400000 0.1962991 0.5380939), wk = 0.0046296 k( 115) = ( 0.3600000 0.2078461 0.5380939), wk = 0.0046296 k( 116) = ( 0.3800000 0.2193931 0.5380939), wk = 0.0046296 k( 117) = ( 0.4000000 0.2309401 0.5380939), wk = 0.0046296 k( 118) = ( 0.4200000 0.2424871 0.5380939), wk = 0.0046296 k( 119) = ( 0.4400000 0.2540341 0.5380939), wk = 0.0046296 k( 120) = ( 0.4600000 0.2655811 0.5380939), wk = 0.0046296 k( 121) = ( 0.4800000 0.2771281 0.5380939), wk = 0.0046296 k( 122) = ( 0.5000000 0.2886751 0.5380939), wk = 0.0046296 k( 123) = ( 0.5000000 0.2886751 0.5380939), wk = 0.0046296 k( 124) = ( 0.4888889 0.3079201 0.5380939), wk = 0.0046296 k( 125) = ( 0.4777778 0.3271651 0.5380939), wk = 0.0046296 k( 126) = ( 0.4666667 0.3464102 0.5380939), wk = 0.0046296 k( 127) = ( 0.4555556 0.3656552 0.5380939), wk = 0.0046296 k( 128) = ( 0.4444444 0.3849002 0.5380939), wk = 0.0046296 k( 129) = ( 0.4333333 0.4041452 0.5380939), wk = 0.0046296 k( 130) = ( 0.4222222 0.4233902 0.5380939), wk = 0.0046296 k( 131) = ( 0.4111111 0.4426352 0.5380939), wk = 0.0046296 k( 132) = ( 0.4000000 0.4618802 0.5380939), wk = 0.0046296 k( 133) = ( 0.3888889 0.4811252 0.5380939), wk = 0.0046296 k( 134) = ( 0.3777778 0.5003702 0.5380939), wk = 0.0046296 k( 135) = ( 0.3666667 0.5196152 0.5380939), wk = 0.0046296 k( 136) = ( 0.3555556 0.5388603 0.5380939), wk = 0.0046296 k( 137) = ( 0.3444444 0.5581053 0.5380939), wk = 0.0046296 k( 138) = ( 0.3333333 0.5773503 0.5380939), wk = 0.0046296 k( 139) = ( 0.3333333 0.5773503 0.5380939), wk = 0.0046296 k( 140) = ( 0.3218391 0.5574416 0.5380939), wk = 0.0046296 k( 141) = ( 0.3103448 0.5375330 0.5380939), wk = 0.0046296 k( 142) = ( 0.2988506 0.5176244 0.5380939), wk = 0.0046296 k( 143) = ( 0.2873563 0.4977157 0.5380939), wk = 0.0046296 k( 144) = ( 0.2758621 0.4778071 0.5380939), wk = 0.0046296 k( 145) = ( 0.2643678 0.4578985 0.5380939), wk = 0.0046296 k( 146) = ( 0.2528736 0.4379899 0.5380939), wk = 0.0046296 k( 147) = ( 0.2413793 0.4180812 0.5380939), wk = 0.0046296 k( 148) = ( 0.2298851 0.3981726 0.5380939), wk = 0.0046296 k( 149) = ( 0.2183908 0.3782640 0.5380939), wk = 0.0046296 k( 150) = ( 0.2068966 0.3583553 0.5380939), wk = 0.0046296 k( 151) = ( 0.1954023 0.3384467 0.5380939), wk = 0.0046296 k( 152) = ( 0.1839080 0.3185381 0.5380939), wk = 0.0046296 k( 153) = ( 0.1724138 0.2986294 0.5380939), wk = 0.0046296 k( 154) = ( 0.1609195 0.2787208 0.5380939), wk = 0.0046296 k( 155) = ( 0.1494253 0.2588122 0.5380939), wk = 0.0046296 k( 156) = ( 0.1379310 0.2389036 0.5380939), wk = 0.0046296 k( 157) = ( 0.1264368 0.2189949 0.5380939), wk = 0.0046296 k( 158) = ( 0.1149425 0.1990863 0.5380939), wk = 0.0046296 k( 159) = ( 0.1034483 0.1791777 0.5380939), wk = 0.0046296 k( 160) = ( 0.0919540 0.1592690 0.5380939), wk = 0.0046296 k( 161) = ( 0.0804598 0.1393604 0.5380939), wk = 0.0046296 k( 162) = ( 0.0689655 0.1194518 0.5380939), wk = 0.0046296 k( 163) = ( 0.0574713 0.0995431 0.5380939), wk = 0.0046296 k( 164) = ( 0.0459770 0.0796345 0.5380939), wk = 0.0046296 k( 165) = ( 0.0344828 0.0597259 0.5380939), wk = 0.0046296 k( 166) = ( 0.0229885 0.0398173 0.5380939), wk = 0.0046296 k( 167) = ( 0.0114942 0.0199086 0.5380939), wk = 0.0046296 k( 168) = ( 0.0000000 0.0000000 0.5380939), wk = 0.0046296 k( 169) = ( 0.5000000 0.2886751 0.5380939), wk = 0.0046296 k( 170) = ( 0.5000000 0.2886751 0.5146985), wk = 0.0046296 k( 171) = ( 0.5000000 0.2886751 0.4913031), wk = 0.0046296 k( 172) = ( 0.5000000 0.2886751 0.4679077), wk = 0.0046296 k( 173) = ( 0.5000000 0.2886751 0.4445123), wk = 0.0046296 k( 174) = ( 0.5000000 0.2886751 0.4211169), wk = 0.0046296 k( 175) = ( 0.5000000 0.2886751 0.3977216), wk = 0.0046296 k( 176) = ( 0.5000000 0.2886751 0.3743262), wk = 0.0046296 k( 177) = ( 0.5000000 0.2886751 0.3509308), wk = 0.0046296 k( 178) = ( 0.5000000 0.2886751 0.3275354), wk = 0.0046296 k( 179) = ( 0.5000000 0.2886751 0.3041400), wk = 0.0046296 k( 180) = ( 0.5000000 0.2886751 0.2807446), wk = 0.0046296 k( 181) = ( 0.5000000 0.2886751 0.2573492), wk = 0.0046296 k( 182) = ( 0.5000000 0.2886751 0.2339538), wk = 0.0046296 k( 183) = ( 0.5000000 0.2886751 0.2105585), wk = 0.0046296 k( 184) = ( 0.5000000 0.2886751 0.1871631), wk = 0.0046296 k( 185) = ( 0.5000000 0.2886751 0.1637677), wk = 0.0046296 k( 186) = ( 0.5000000 0.2886751 0.1403723), wk = 0.0046296 k( 187) = ( 0.5000000 0.2886751 0.1169769), wk = 0.0046296 k( 188) = ( 0.5000000 0.2886751 0.0935815), wk = 0.0046296 k( 189) = ( 0.5000000 0.2886751 0.0701862), wk = 0.0046296 k( 190) = ( 0.5000000 0.2886751 0.0467908), wk = 0.0046296 k( 191) = ( 0.5000000 0.2886751 0.0233954), wk = 0.0046296 k( 192) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046296 k( 193) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046296 k( 194) = ( 0.3333333 0.5773503 0.0233954), wk = 0.0046296 k( 195) = ( 0.3333333 0.5773503 0.0467908), wk = 0.0046296 k( 196) = ( 0.3333333 0.5773503 0.0701862), wk = 0.0046296 k( 197) = ( 0.3333333 0.5773503 0.0935815), wk = 0.0046296 k( 198) = ( 0.3333333 0.5773503 0.1169769), wk = 0.0046296 k( 199) = ( 0.3333333 0.5773503 0.1403723), wk = 0.0046296 k( 200) = ( 0.3333333 0.5773503 0.1637677), wk = 0.0046296 k( 201) = ( 0.3333333 0.5773503 0.1871631), wk = 0.0046296 k( 202) = ( 0.3333333 0.5773503 0.2105585), wk = 0.0046296 k( 203) = ( 0.3333333 0.5773503 0.2339538), wk = 0.0046296 k( 204) = ( 0.3333333 0.5773503 0.2573492), wk = 0.0046296 k( 205) = ( 0.3333333 0.5773503 0.2807446), wk = 0.0046296 k( 206) = ( 0.3333333 0.5773503 0.3041400), wk = 0.0046296 k( 207) = ( 0.3333333 0.5773503 0.3275354), wk = 0.0046296 k( 208) = ( 0.3333333 0.5773503 0.3509308), wk = 0.0046296 k( 209) = ( 0.3333333 0.5773503 0.3743262), wk = 0.0046296 k( 210) = ( 0.3333333 0.5773503 0.3977216), wk = 0.0046296 k( 211) = ( 0.3333333 0.5773503 0.4211169), wk = 0.0046296 k( 212) = ( 0.3333333 0.5773503 0.4445123), wk = 0.0046296 k( 213) = ( 0.3333333 0.5773503 0.4679077), wk = 0.0046296 k( 214) = ( 0.3333333 0.5773503 0.4913031), wk = 0.0046296 k( 215) = ( 0.3333333 0.5773503 0.5146985), wk = 0.0046296 k( 216) = ( 0.3333333 0.5773503 0.5380939), wk = 0.0046296 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0046296 k( 5) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0046296 k( 6) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0046296 k( 7) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0046296 k( 8) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0046296 k( 9) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0046296 k( 10) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0046296 k( 11) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0046296 k( 12) = ( 0.2200000 -0.0000000 0.0000000), wk = 0.0046296 k( 13) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0046296 k( 14) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0046296 k( 15) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0046296 k( 16) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0046296 k( 17) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0046296 k( 18) = ( 0.3400000 0.0000000 -0.0000000), wk = 0.0046296 k( 19) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0046296 k( 20) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0046296 k( 21) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0046296 k( 22) = ( 0.4200000 -0.0000000 0.0000000), wk = 0.0046296 k( 23) = ( 0.4400000 -0.0000000 0.0000000), wk = 0.0046296 k( 24) = ( 0.4600000 -0.0000000 0.0000000), wk = 0.0046296 k( 25) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0046296 k( 26) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046296 k( 27) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046296 k( 28) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0046296 k( 29) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0046296 k( 30) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0046296 k( 31) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0046296 k( 32) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0046296 k( 33) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0046296 k( 34) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0046296 k( 35) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0046296 k( 36) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0046296 k( 37) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0046296 k( 38) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0046296 k( 39) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0046296 k( 40) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0046296 k( 41) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0046296 k( 42) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 43) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 44) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0046296 k( 45) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0046296 k( 47) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0046296 k( 48) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0046296 k( 49) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0046296 k( 50) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0046296 k( 51) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0046296 k( 52) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0046296 k( 53) = ( 0.2183908 0.2183908 -0.0000000), wk = 0.0046296 k( 54) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0046296 k( 55) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0046296 k( 56) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0046296 k( 57) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0046296 k( 58) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0046296 k( 59) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0046296 k( 60) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0046296 k( 61) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0046296 k( 62) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0046296 k( 63) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0046296 k( 64) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0046296 k( 65) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0046296 k( 66) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0046296 k( 67) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0046296 k( 68) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0046296 k( 69) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0046296 k( 70) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0046296 k( 71) = ( 0.0114942 0.0114943 0.0000000), wk = 0.0046296 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 74) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0046296 k( 75) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0046296 k( 76) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0046296 k( 77) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0046296 k( 78) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0046296 k( 79) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0046296 k( 80) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0046296 k( 81) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0046296 k( 82) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0046296 k( 83) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0046296 k( 84) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0046296 k( 85) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0046296 k( 86) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0046296 k( 87) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0046296 k( 88) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0046296 k( 89) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0046296 k( 90) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0046296 k( 91) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0046296 k( 92) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0046296 k( 93) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0046296 k( 94) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0046296 k( 95) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0046296 k( 96) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 97) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 98) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0046296 k( 99) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0046296 k( 100) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0046296 k( 101) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0046296 k( 102) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0046296 k( 103) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0046296 k( 104) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0046296 k( 105) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0046296 k( 106) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0046296 k( 107) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0046296 k( 108) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0046296 k( 109) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0046296 k( 110) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0046296 k( 111) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0046296 k( 112) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0046296 k( 113) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0046296 k( 114) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0046296 k( 115) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0046296 k( 116) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0046296 k( 117) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0046296 k( 118) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0046296 k( 119) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0046296 k( 120) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0046296 k( 121) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0046296 k( 122) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046296 k( 123) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046296 k( 124) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0046296 k( 125) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0046296 k( 126) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0046296 k( 127) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0046296 k( 128) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0046296 k( 129) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0046296 k( 130) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0046296 k( 131) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0046296 k( 132) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0046296 k( 133) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0046296 k( 134) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0046296 k( 135) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0046296 k( 136) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0046296 k( 137) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0046296 k( 138) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046296 k( 139) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046296 k( 140) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0046296 k( 141) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0046296 k( 142) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0046296 k( 143) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0046296 k( 144) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0046296 k( 145) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0046296 k( 146) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0046296 k( 147) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0046296 k( 148) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0046296 k( 149) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0046296 k( 150) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0046296 k( 151) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0046296 k( 152) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0046296 k( 153) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0046296 k( 154) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0046296 k( 155) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0046296 k( 156) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0046296 k( 157) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0046296 k( 158) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0046296 k( 159) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0046296 k( 160) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0046296 k( 161) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0046296 k( 162) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0046296 k( 163) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0046296 k( 164) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0046296 k( 165) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0046296 k( 166) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0046296 k( 167) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0046296 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046296 k( 170) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0046296 k( 171) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0046296 k( 172) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0046296 k( 173) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0046296 k( 174) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0046296 k( 175) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0046296 k( 176) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0046296 k( 177) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0046296 k( 178) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0046296 k( 179) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0046296 k( 180) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0046296 k( 181) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0046296 k( 182) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0046296 k( 183) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0046296 k( 184) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0046296 k( 185) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0046296 k( 186) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0046296 k( 187) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0046296 k( 188) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0046296 k( 189) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0046296 k( 190) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0046296 k( 191) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0046296 k( 192) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046296 k( 193) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 194) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0046296 k( 195) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0046296 k( 196) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0046296 k( 197) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0046296 k( 198) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0046296 k( 199) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0046296 k( 200) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0046296 k( 201) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0046296 k( 202) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0046296 k( 203) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0046296 k( 204) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0046296 k( 205) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0046296 k( 206) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0046296 k( 207) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0046296 k( 208) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0046296 k( 209) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0046296 k( 210) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0046296 k( 211) = ( 0.3333333 0.3333333 0.3913043), wk = 0.0046296 k( 212) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0046296 k( 213) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0046296 k( 214) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0046296 k( 215) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0046296 k( 216) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046296 Dense grid: 367553 G-vectors FFT dimensions: ( 96, 96, 90) Smooth grid: 93807 G-vectors FFT dimensions: ( 64, 64, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 334, 86) NL pseudopotentials 0.69 Mb ( 167, 272) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.04 Mb ( 5104) G-vector shells 0.02 Mb ( 2510) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.75 Mb ( 334, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.71 Mb ( 272, 2, 86) The potential is recalculated from file : ./BiI3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 14.1 secs Computing kpt #: 7 total cpu time spent up to now is 15.9 secs Computing kpt #: 8 total cpu time spent up to now is 17.7 secs Computing kpt #: 9 total cpu time spent up to now is 19.6 secs Computing kpt #: 10 total cpu time spent up to now is 21.4 secs Computing kpt #: 11 total cpu time spent up to now is 23.2 secs Computing kpt #: 12 total cpu time spent up to now is 25.1 secs Computing kpt #: 13 total cpu time spent up to now is 26.8 secs Computing kpt #: 14 total cpu time spent up to now is 28.5 secs Computing kpt #: 15 total cpu time spent up to now is 30.0 secs Computing kpt #: 16 total cpu time spent up to now is 31.7 secs Computing kpt #: 17 total cpu time spent up to now is 33.4 secs Computing kpt #: 18 total cpu time spent up to now is 35.0 secs Computing kpt #: 19 total cpu time spent up to now is 36.6 secs Computing kpt #: 20 total cpu time spent up to now is 38.3 secs Computing kpt #: 21 total cpu time spent up to now is 39.9 secs Computing kpt #: 22 total cpu time spent up to now is 41.5 secs Computing kpt #: 23 total cpu time spent up to now is 43.2 secs Computing kpt #: 24 total cpu time spent up to now is 44.7 secs Computing kpt #: 25 total cpu time spent up to now is 46.1 secs Computing kpt #: 26 total cpu time spent up to now is 47.7 secs Computing kpt #: 27 total cpu time spent up to now is 49.1 secs Computing kpt #: 28 total cpu time spent up to now is 50.6 secs Computing kpt #: 29 total cpu time spent up to now is 52.1 secs Computing kpt #: 30 total cpu time spent up to now is 53.5 secs Computing kpt #: 31 total cpu time spent up to now is 55.0 secs Computing kpt #: 32 total cpu time spent up to now is 56.5 secs Computing kpt #: 33 total cpu time spent up to now is 58.0 secs Computing kpt #: 34 total cpu time spent up to now is 59.5 secs Computing kpt #: 35 total cpu time spent up to now is 60.9 secs Computing kpt #: 36 total cpu time spent up to now is 62.4 secs Computing kpt #: 37 total cpu time spent up to now is 63.9 secs Computing kpt #: 38 total cpu time spent up to now is 65.4 secs Computing kpt #: 39 total cpu time spent up to now is 67.2 secs Computing kpt #: 40 total cpu time spent up to now is 68.9 secs Computing kpt #: 41 total cpu time spent up to now is 70.7 secs Computing kpt #: 42 total cpu time spent up to now is 72.6 secs Computing kpt #: 43 total cpu time spent up to now is 74.3 secs Computing kpt #: 44 total cpu time spent up to now is 76.1 secs Computing kpt #: 45 total cpu time spent up to now is 77.8 secs Computing kpt #: 46 total cpu time spent up to now is 79.6 secs Computing kpt #: 47 total cpu time spent up to now is 81.4 secs Computing kpt #: 48 total cpu time spent up to now is 83.2 secs Computing kpt #: 49 total cpu time spent up to now is 85.0 secs Computing kpt #: 50 total cpu time spent up to now is 86.8 secs Computing kpt #: 51 total cpu time spent up to now is 88.7 secs Computing kpt #: 52 total cpu time spent up to now is 90.7 secs Computing kpt #: 53 total cpu time spent up to now is 92.9 secs Computing kpt #: 54 total cpu time spent up to now is 94.9 secs Computing kpt #: 55 total cpu time spent up to now is 97.0 secs Computing kpt #: 56 total cpu time spent up to now is 99.1 secs Computing kpt #: 57 total cpu time spent up to now is 101.1 secs Computing kpt #: 58 total cpu time spent up to now is 103.0 secs Computing kpt #: 59 total cpu time spent up to now is 104.9 secs Computing kpt #: 60 total cpu time spent up to now is 106.7 secs Computing kpt #: 61 total cpu time spent up to now is 108.5 secs Computing kpt #: 62 total cpu time spent up to now is 110.3 secs Computing kpt #: 63 total cpu time spent up to now is 112.2 secs Computing kpt #: 64 total cpu time spent up to now is 113.9 secs Computing kpt #: 65 total cpu time spent up to now is 115.6 secs Computing kpt #: 66 total cpu time spent up to now is 117.4 secs Computing kpt #: 67 total cpu time spent up to now is 118.9 secs Computing kpt #: 68 total cpu time spent up to now is 120.4 secs Computing kpt #: 69 total cpu time spent up to now is 121.9 secs Computing kpt #: 70 total cpu time spent up to now is 123.4 secs Computing kpt #: 71 total cpu time spent up to now is 124.9 secs Computing kpt #: 72 total cpu time spent up to now is 126.3 secs Computing kpt #: 73 total cpu time spent up to now is 128.1 secs Computing kpt #: 74 total cpu time spent up to now is 130.0 secs Computing kpt #: 75 total cpu time spent up to now is 131.5 secs Computing kpt #: 76 total cpu time spent up to now is 133.2 secs Computing kpt #: 77 total cpu time spent up to now is 134.7 secs Computing kpt #: 78 total cpu time spent up to now is 136.2 secs Computing kpt #: 79 total cpu time spent up to now is 137.7 secs Computing kpt #: 80 total cpu time spent up to now is 139.1 secs Computing kpt #: 81 total cpu time spent up to now is 142.8 secs Computing kpt #: 82 total cpu time spent up to now is 144.7 secs Computing kpt #: 83 total cpu time spent up to now is 146.5 secs Computing kpt #: 84 total cpu time spent up to now is 148.3 secs Computing kpt #: 85 total cpu time spent up to now is 150.2 secs Computing kpt #: 86 total cpu time spent up to now is 152.0 secs Computing kpt #: 87 total cpu time spent up to now is 153.8 secs Computing kpt #: 88 total cpu time spent up to now is 155.7 secs Computing kpt #: 89 total cpu time spent up to now is 157.5 secs Computing kpt #: 90 total cpu time spent up to now is 159.2 secs Computing kpt #: 91 total cpu time spent up to now is 160.9 secs Computing kpt #: 92 total cpu time spent up to now is 162.7 secs Computing kpt #: 93 total cpu time spent up to now is 164.4 secs Computing kpt #: 94 total cpu time spent up to now is 166.2 secs Computing kpt #: 95 total cpu time spent up to now is 167.6 secs Computing kpt #: 96 total cpu time spent up to now is 169.1 secs Computing kpt #: 97 total cpu time spent up to now is 170.8 secs Computing kpt #: 98 total cpu time spent up to now is 172.5 secs Computing kpt #: 99 total cpu time spent up to now is 174.2 secs Computing kpt #: 100 total cpu time spent up to now is 176.0 secs Computing kpt #: 101 total cpu time spent up to now is 177.8 secs Computing kpt #: 102 total cpu time spent up to now is 179.6 secs Computing kpt #: 103 total cpu time spent up to now is 181.4 secs Computing kpt #: 104 total cpu time spent up to now is 183.3 secs Computing kpt #: 105 total cpu time spent up to now is 185.4 secs Computing kpt #: 106 total cpu time spent up to now is 188.0 secs Computing kpt #: 107 total cpu time spent up to now is 191.4 secs Computing kpt #: 108 total cpu time spent up to now is 195.5 secs Computing kpt #: 109 total cpu time spent up to now is 200.1 secs Computing kpt #: 110 total cpu time spent up to now is 204.4 secs Computing kpt #: 111 total cpu time spent up to now is 208.1 secs Computing kpt #: 112 total cpu time spent up to now is 210.7 secs Computing kpt #: 113 total cpu time spent up to now is 213.2 secs Computing kpt #: 114 total cpu time spent up to now is 215.6 secs Computing kpt #: 115 total cpu time spent up to now is 218.1 secs Computing kpt #: 116 total cpu time spent up to now is 220.7 secs Computing kpt #: 117 total cpu time spent up to now is 222.9 secs Computing kpt #: 118 total cpu time spent up to now is 225.4 secs Computing kpt #: 119 total cpu time spent up to now is 228.3 secs Computing kpt #: 120 total cpu time spent up to now is 230.5 secs Computing kpt #: 121 total cpu time spent up to now is 232.8 secs Computing kpt #: 122 total cpu time spent up to now is 235.9 secs Computing kpt #: 123 total cpu time spent up to now is 238.0 secs Computing kpt #: 124 total cpu time spent up to now is 240.1 secs Computing kpt #: 125 total cpu time spent up to now is 242.5 secs Computing kpt #: 126 total cpu time spent up to now is 244.8 secs Computing kpt #: 127 total cpu time spent up to now is 246.9 secs Computing kpt #: 128 total cpu time spent up to now is 248.9 secs Computing kpt #: 129 total cpu time spent up to now is 250.8 secs Computing kpt #: 130 total cpu time spent up to now is 252.7 secs Computing kpt #: 131 total cpu time spent up to now is 254.7 secs Computing kpt #: 132 total cpu time spent up to now is 256.7 secs Computing kpt #: 133 total cpu time spent up to now is 258.6 secs Computing kpt #: 134 total cpu time spent up to now is 260.5 secs Computing kpt #: 135 total cpu time spent up to now is 262.3 secs Computing kpt #: 136 total cpu time spent up to now is 264.2 secs Computing kpt #: 137 total cpu time spent up to now is 266.0 secs Computing kpt #: 138 total cpu time spent up to now is 267.9 secs Computing kpt #: 139 total cpu time spent up to now is 269.8 secs Computing kpt #: 140 total cpu time spent up to now is 271.6 secs Computing kpt #: 141 total cpu time spent up to now is 273.6 secs Computing kpt #: 142 total cpu time spent up to now is 275.5 secs Computing kpt #: 143 total cpu time spent up to now is 277.4 secs Computing kpt #: 144 total cpu time spent up to now is 279.3 secs Computing kpt #: 145 total cpu time spent up to now is 281.2 secs Computing kpt #: 146 total cpu time spent up to now is 283.2 secs Computing kpt #: 147 total cpu time spent up to now is 285.4 secs Computing kpt #: 148 total cpu time spent up to now is 287.4 secs Computing kpt #: 149 total cpu time spent up to now is 289.6 secs Computing kpt #: 150 total cpu time spent up to now is 292.2 secs Computing kpt #: 151 total cpu time spent up to now is 294.8 secs Computing kpt #: 152 total cpu time spent up to now is 297.4 secs Computing kpt #: 153 total cpu time spent up to now is 300.3 secs Computing kpt #: 154 total cpu time spent up to now is 303.4 secs Computing kpt #: 155 total cpu time spent up to now is 306.0 secs Computing kpt #: 156 total cpu time spent up to now is 308.7 secs Computing kpt #: 157 total cpu time spent up to now is 313.7 secs Computing kpt #: 158 total cpu time spent up to now is 317.1 secs Computing kpt #: 159 total cpu time spent up to now is 319.3 secs Computing kpt #: 160 total cpu time spent up to now is 321.5 secs Computing kpt #: 161 total cpu time spent up to now is 323.5 secs Computing kpt #: 162 total cpu time spent up to now is 325.3 secs Computing kpt #: 163 total cpu time spent up to now is 327.2 secs Computing kpt #: 164 total cpu time spent up to now is 329.0 secs Computing kpt #: 165 total cpu time spent up to now is 330.8 secs Computing kpt #: 166 total cpu time spent up to now is 332.4 secs Computing kpt #: 167 total cpu time spent up to now is 334.3 secs Computing kpt #: 168 total cpu time spent up to now is 336.0 secs Computing kpt #: 169 total cpu time spent up to now is 339.2 secs Computing kpt #: 170 total cpu time spent up to now is 342.1 secs Computing kpt #: 171 total cpu time spent up to now is 343.9 secs Computing kpt #: 172 total cpu time spent up to now is 345.9 secs Computing kpt #: 173 total cpu time spent up to now is 347.6 secs Computing kpt #: 174 total cpu time spent up to now is 349.4 secs Computing kpt #: 175 total cpu time spent up to now is 351.2 secs Computing kpt #: 176 total cpu time spent up to now is 353.0 secs Computing kpt #: 177 total cpu time spent up to now is 354.8 secs Computing kpt #: 178 total cpu time spent up to now is 356.6 secs Computing kpt #: 179 total cpu time spent up to now is 358.2 secs Computing kpt #: 180 total cpu time spent up to now is 359.7 secs Computing kpt #: 181 total cpu time spent up to now is 361.3 secs Computing kpt #: 182 total cpu time spent up to now is 362.8 secs Computing kpt #: 183 total cpu time spent up to now is 364.3 secs Computing kpt #: 184 total cpu time spent up to now is 365.9 secs Computing kpt #: 185 total cpu time spent up to now is 367.3 secs Computing kpt #: 186 total cpu time spent up to now is 368.9 secs Computing kpt #: 187 total cpu time spent up to now is 370.4 secs Computing kpt #: 188 total cpu time spent up to now is 372.0 secs Computing kpt #: 189 total cpu time spent up to now is 373.5 secs Computing kpt #: 190 total cpu time spent up to now is 374.9 secs Computing kpt #: 191 total cpu time spent up to now is 376.4 secs Computing kpt #: 192 total cpu time spent up to now is 378.0 secs Computing kpt #: 193 total cpu time spent up to now is 379.8 secs Computing kpt #: 194 total cpu time spent up to now is 381.6 secs Computing kpt #: 195 total cpu time spent up to now is 383.4 secs Computing kpt #: 196 total cpu time spent up to now is 385.4 secs Computing kpt #: 197 total cpu time spent up to now is 387.6 secs Computing kpt #: 198 total cpu time spent up to now is 389.7 secs Computing kpt #: 199 total cpu time spent up to now is 391.8 secs Computing kpt #: 200 total cpu time spent up to now is 393.8 secs Computing kpt #: 201 total cpu time spent up to now is 396.0 secs Computing kpt #: 202 total cpu time spent up to now is 397.8 secs Computing kpt #: 203 total cpu time spent up to now is 399.8 secs Computing kpt #: 204 total cpu time spent up to now is 401.5 secs Computing kpt #: 205 total cpu time spent up to now is 403.4 secs Computing kpt #: 206 total cpu time spent up to now is 405.0 secs Computing kpt #: 207 total cpu time spent up to now is 406.7 secs Computing kpt #: 208 total cpu time spent up to now is 408.4 secs Computing kpt #: 209 total cpu time spent up to now is 410.1 secs Computing kpt #: 210 total cpu time spent up to now is 411.6 secs Computing kpt #: 211 total cpu time spent up to now is 413.0 secs Computing kpt #: 212 total cpu time spent up to now is 414.5 secs Computing kpt #: 213 total cpu time spent up to now is 416.2 secs Computing kpt #: 214 total cpu time spent up to now is 417.7 secs Computing kpt #: 215 total cpu time spent up to now is 419.3 secs Computing kpt #: 216 total cpu time spent up to now is 420.8 secs ethr = 1.39E-08, avg # of iterations = 26.5 total cpu time spent up to now is 420.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11729 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0851 -9.0851 -7.7401 -7.7401 -7.6348 -7.6348 -7.6102 -7.6102 -7.5122 -7.5122 -7.5046 -7.5046 -6.3342 -6.3342 -5.0768 -5.0768 0.0544 0.0544 0.4458 0.4458 0.5168 0.5168 0.8879 0.8879 1.0774 1.0774 1.5269 1.5269 1.5273 1.5273 2.1197 2.1197 2.1900 2.1900 2.2258 2.2258 2.4005 2.4005 2.5740 2.5740 2.9732 2.9732 3.0631 3.0631 3.2081 3.2081 3.5756 3.5756 3.7603 3.7603 3.8495 3.8495 5.5871 5.5871 6.9902 6.9902 7.0146 7.0146 7.4143 7.4143 8.2087 8.2087 8.3798 8.3798 9.4360 9.4360 k = 0.0200 0.0115-0.0000 ( 11731 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1706 -17.1706 -17.1696 -17.1696 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1458 -17.1458 -9.0842 -9.0842 -7.7397 -7.7397 -7.6369 -7.6369 -7.6125 -7.6125 -7.5115 -7.5115 -7.5041 -7.5041 -6.3315 -6.3315 -5.0771 -5.0771 0.0543 0.0543 0.4457 0.4457 0.5145 0.5145 0.8873 0.8873 1.0782 1.0782 1.5100 1.5100 1.5473 1.5473 2.1160 2.1160 2.1855 2.1855 2.2305 2.2305 2.4053 2.4053 2.5739 2.5739 2.9743 2.9743 3.0643 3.0643 3.2071 3.2071 3.5717 3.5717 3.7615 3.7615 3.8504 3.8504 5.5884 5.5884 6.9891 6.9891 7.0140 7.0140 7.4129 7.4129 8.2064 8.2064 8.3766 8.3766 9.4401 9.4401 k = 0.0400 0.0231-0.0000 ( 11733 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1708 -17.1708 -17.1694 -17.1694 -17.1668 -17.1668 -17.1637 -17.1637 -17.1510 -17.1510 -17.1458 -17.1458 -9.0817 -9.0817 -7.7387 -7.7387 -7.6439 -7.6439 -7.6183 -7.6183 -7.5098 -7.5098 -7.5029 -7.5029 -6.3234 -6.3234 -5.0781 -5.0781 0.0541 0.0541 0.4454 0.4454 0.5081 0.5081 0.8853 0.8853 1.0806 1.0806 1.4957 1.4957 1.5706 1.5706 2.1066 2.1066 2.1738 2.1738 2.2424 2.2424 2.4181 2.4181 2.5741 2.5741 2.9769 2.9769 3.0679 3.0679 3.2042 3.2042 3.5603 3.5603 3.7648 3.7648 3.8529 3.8529 5.5921 5.5921 6.9832 6.9832 7.0146 7.0146 7.4085 7.4085 8.1993 8.1993 8.3672 8.3672 9.4523 9.4523 k = 0.0600 0.0346-0.0000 ( 11733 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1710 -17.1710 -17.1692 -17.1692 -17.1669 -17.1669 -17.1636 -17.1636 -17.1509 -17.1509 -17.1458 -17.1458 -9.0775 -9.0775 -7.7371 -7.7371 -7.6567 -7.6567 -7.6256 -7.6256 -7.5075 -7.5075 -7.5009 -7.5009 -6.3102 -6.3102 -5.0797 -5.0797 0.0538 0.0538 0.4447 0.4447 0.4983 0.4983 0.8808 0.8808 1.0851 1.0851 1.4839 1.4839 1.5969 1.5969 2.0948 2.0948 2.1582 2.1582 2.2578 2.2578 2.4359 2.4359 2.5750 2.5750 2.9799 2.9799 3.0747 3.0747 3.2001 3.2001 3.5424 3.5424 3.7698 3.7698 3.8567 3.8567 5.5980 5.5980 6.9696 6.9696 7.0194 7.0194 7.4016 7.4016 8.1873 8.1873 8.3522 8.3522 9.4723 9.4723 k = 0.0800 0.0462-0.0000 ( 11731 PWs) bands (ev): -20.1411 -20.1411 -20.1386 -20.1386 -20.1381 -20.1381 -20.1371 -20.1371 -17.1712 -17.1712 -17.1689 -17.1689 -17.1671 -17.1671 -17.1635 -17.1635 -17.1509 -17.1509 -17.1458 -17.1458 -9.0716 -9.0716 -7.7350 -7.7350 -7.6756 -7.6756 -7.6331 -7.6331 -7.5053 -7.5053 -7.4984 -7.4984 -6.2922 -6.2922 -5.0820 -5.0820 0.0534 0.0534 0.4430 0.4430 0.4868 0.4868 0.8725 0.8725 1.0921 1.0921 1.4744 1.4744 1.6257 1.6257 2.0830 2.0830 2.1417 2.1417 2.2740 2.2740 2.4560 2.4560 2.5777 2.5777 2.9814 2.9814 3.0853 3.0853 3.1960 3.1960 3.5193 3.5193 3.7758 3.7758 3.8612 3.8612 5.6056 5.6056 6.9484 6.9484 7.0280 7.0280 7.3926 7.3926 8.1700 8.1700 8.3325 8.3325 9.4997 9.4997 k = 0.1000 0.0577-0.0000 ( 11715 PWs) bands (ev): -20.1411 -20.1411 -20.1386 -20.1386 -20.1381 -20.1381 -20.1371 -20.1371 -17.1714 -17.1714 -17.1686 -17.1686 -17.1672 -17.1672 -17.1634 -17.1634 -17.1508 -17.1508 -17.1458 -17.1458 -9.0640 -9.0640 -7.7323 -7.7323 -7.6995 -7.6995 -7.6406 -7.6406 -7.5040 -7.5040 -7.4952 -7.4952 -6.2699 -6.2699 -5.0850 -5.0850 0.0528 0.0528 0.4392 0.4392 0.4760 0.4760 0.8600 0.8600 1.1011 1.1011 1.4668 1.4668 1.6563 1.6563 2.0724 2.0724 2.1260 2.1260 2.2896 2.2896 2.4762 2.4762 2.5830 2.5830 2.9801 2.9801 3.0992 3.0992 3.1932 3.1932 3.4927 3.4927 3.7821 3.7821 3.8662 3.8662 5.6146 5.6146 6.9209 6.9209 7.0394 7.0394 7.3821 7.3821 8.1470 8.1470 8.3093 8.3093 9.5336 9.5336 k = 0.1200 0.0693-0.0000 ( 11709 PWs) bands (ev): -20.1410 -20.1410 -20.1387 -20.1387 -20.1380 -20.1380 -20.1371 -20.1371 -17.1716 -17.1716 -17.1684 -17.1684 -17.1674 -17.1674 -17.1633 -17.1633 -17.1508 -17.1508 -17.1459 -17.1459 -9.0549 -9.0549 -7.7318 -7.7318 -7.7249 -7.7249 -7.6482 -7.6482 -7.5035 -7.5035 -7.4917 -7.4917 -6.2438 -6.2438 -5.0888 -5.0888 0.0523 0.0523 0.4311 0.4311 0.4687 0.4687 0.8433 0.8433 1.1110 1.1110 1.4613 1.4613 1.6879 1.6879 2.0645 2.0645 2.1118 2.1118 2.3045 2.3045 2.4947 2.4947 2.5919 2.5919 2.9755 2.9755 3.1150 3.1150 3.1937 3.1937 3.4641 3.4641 3.7876 3.7876 3.8714 3.8714 5.6244 5.6244 6.8877 6.8877 7.0524 7.0524 7.3707 7.3707 8.1177 8.1177 8.2841 8.2841 9.5733 9.5733 k = 0.1400 0.0808-0.0000 ( 11694 PWs) bands (ev): -20.1410 -20.1410 -20.1387 -20.1387 -20.1380 -20.1380 -20.1371 -20.1371 -17.1718 -17.1718 -17.1682 -17.1682 -17.1676 -17.1676 -17.1632 -17.1632 -17.1507 -17.1507 -17.1459 -17.1459 -9.0441 -9.0441 -7.7597 -7.7597 -7.7249 -7.7249 -7.6556 -7.6556 -7.5038 -7.5038 -7.4881 -7.4881 -6.2145 -6.2145 -5.0933 -5.0933 0.0518 0.0518 0.4186 0.4186 0.4658 0.4658 0.8231 0.8231 1.1202 1.1202 1.4580 1.4580 1.7194 1.7194 2.0605 2.0605 2.0987 2.0987 2.3194 2.3194 2.5094 2.5094 2.6053 2.6053 2.9680 2.9680 3.1300 3.1300 3.1994 3.1994 3.4354 3.4354 3.7918 3.7918 3.8767 3.8767 5.6346 5.6346 6.8495 6.8495 7.0662 7.0662 7.3593 7.3593 8.0820 8.0820 8.2581 8.2581 9.6179 9.6179 k = 0.1600 0.0924-0.0000 ( 11702 PWs) bands (ev): -20.1410 -20.1410 -20.1388 -20.1388 -20.1380 -20.1380 -20.1371 -20.1371 -17.1719 -17.1719 -17.1682 -17.1682 -17.1675 -17.1675 -17.1631 -17.1631 -17.1506 -17.1506 -17.1459 -17.1459 -9.0317 -9.0317 -7.7936 -7.7936 -7.7215 -7.7215 -7.6627 -7.6627 -7.5047 -7.5047 -7.4848 -7.4848 -6.1825 -6.1825 -5.0987 -5.0987 0.0514 0.0514 0.4039 0.4039 0.4658 0.4658 0.8000 0.8000 1.1271 1.1271 1.4575 1.4575 1.7493 1.7493 2.0619 2.0619 2.0863 2.0863 2.3355 2.3355 2.5189 2.5189 2.6233 2.6233 2.9586 2.9586 3.1418 3.1418 3.2104 3.2104 3.4088 3.4088 3.7940 3.7940 3.8820 3.8820 5.6451 5.6451 6.8068 6.8068 7.0797 7.0797 7.3488 7.3488 8.0403 8.0403 8.2322 8.2322 9.6658 9.6658 k = 0.1800 0.1039-0.0000 ( 11704 PWs) bands (ev): -20.1410 -20.1410 -20.1388 -20.1388 -20.1379 -20.1379 -20.1371 -20.1371 -17.1721 -17.1721 -17.1684 -17.1684 -17.1673 -17.1673 -17.1630 -17.1630 -17.1505 -17.1505 -17.1460 -17.1460 -9.0177 -9.0177 -7.8298 -7.8298 -7.7185 -7.7185 -7.6688 -7.6688 -7.5061 -7.5061 -7.4818 -7.4818 -6.1483 -6.1483 -5.1049 -5.1049 0.0513 0.0513 0.3887 0.3887 0.4672 0.4672 0.7750 0.7750 1.1302 1.1302 1.4604 1.4604 1.7762 1.7762 2.0666 2.0666 2.0771 2.0771 2.3537 2.3537 2.5229 2.5229 2.6447 2.6447 2.9487 2.9487 3.1505 3.1505 3.2233 3.2233 3.3877 3.3877 3.7940 3.7940 3.8869 3.8869 5.6556 5.6556 6.7602 6.7602 7.0917 7.0917 7.3399 7.3399 7.9932 7.9932 8.2070 8.2070 9.7144 9.7144 k = 0.2000 0.1155-0.0000 ( 11712 PWs) bands (ev): -20.1410 -20.1410 -20.1389 -20.1389 -20.1379 -20.1379 -20.1371 -20.1371 -17.1722 -17.1722 -17.1686 -17.1686 -17.1671 -17.1671 -17.1630 -17.1630 -17.1504 -17.1504 -17.1461 -17.1461 -9.0023 -9.0023 -7.8677 -7.8677 -7.7166 -7.7166 -7.6731 -7.6731 -7.5079 -7.5079 -7.4794 -7.4794 -6.1124 -6.1124 -5.1120 -5.1120 0.0514 0.0514 0.3740 0.3740 0.4694 0.4694 0.7489 0.7489 1.1286 1.1286 1.4669 1.4669 1.7986 1.7986 2.0574 2.0574 2.0895 2.0895 2.3744 2.3744 2.5219 2.5219 2.6673 2.6673 2.9402 2.9402 3.1567 3.1567 3.2324 3.2324 3.3770 3.3770 3.7918 3.7918 3.8910 3.8910 5.6661 5.6661 6.7103 6.7103 7.1009 7.1009 7.3337 7.3337 7.9420 7.9420 8.1825 8.1825 9.7561 9.7561 k = 0.2200 0.1270-0.0000 ( 11720 PWs) bands (ev): -20.1409 -20.1409 -20.1390 -20.1390 -20.1379 -20.1379 -20.1371 -20.1371 -17.1724 -17.1724 -17.1689 -17.1689 -17.1668 -17.1668 -17.1629 -17.1629 -17.1503 -17.1503 -17.1461 -17.1461 -8.9854 -8.9854 -7.9070 -7.9070 -7.7168 -7.7168 -7.6747 -7.6747 -7.5101 -7.5101 -7.4775 -7.4775 -6.0753 -6.0753 -5.1200 -5.1200 0.0520 0.0520 0.3603 0.3603 0.4718 0.4718 0.7223 0.7223 1.1219 1.1219 1.4772 1.4772 1.8159 1.8159 2.0447 2.0447 2.1134 2.1134 2.3969 2.3969 2.5170 2.5170 2.6890 2.6890 2.9351 2.9351 3.1593 3.1593 3.2346 3.2346 3.3800 3.3800 3.7876 3.7876 3.8938 3.8938 5.6768 5.6768 6.6574 6.6574 7.1065 7.1065 7.3309 7.3309 7.8878 7.8878 8.1588 8.1588 9.7619 9.7619 k = 0.2400 0.1386-0.0000 ( 11704 PWs) bands (ev): -20.1409 -20.1409 -20.1391 -20.1391 -20.1378 -20.1378 -20.1370 -20.1370 -17.1725 -17.1725 -17.1692 -17.1692 -17.1665 -17.1665 -17.1628 -17.1628 -17.1502 -17.1502 -17.1462 -17.1462 -8.9671 -8.9671 -7.9471 -7.9471 -7.7194 -7.7194 -7.6732 -7.6732 -7.5125 -7.5125 -7.4763 -7.4763 -6.0375 -6.0375 -5.1289 -5.1289 0.0529 0.0529 0.3481 0.3481 0.4739 0.4739 0.6962 0.6962 1.1103 1.1103 1.4906 1.4906 1.8278 1.8278 2.0333 2.0333 2.1444 2.1444 2.4193 2.4193 2.5099 2.5099 2.7079 2.7079 2.9351 2.9351 3.1552 3.1552 3.2349 3.2349 3.3947 3.3947 3.7816 3.7816 3.8951 3.8951 5.6877 5.6877 6.6020 6.6020 7.1081 7.1081 7.3317 7.3317 7.8321 7.8321 8.1360 8.1360 9.7083 9.7083 k = 0.2600 0.1501-0.0000 ( 11712 PWs) bands (ev): -20.1409 -20.1409 -20.1391 -20.1391 -20.1378 -20.1378 -20.1370 -20.1370 -17.1726 -17.1726 -17.1694 -17.1694 -17.1662 -17.1662 -17.1628 -17.1628 -17.1501 -17.1501 -17.1463 -17.1463 -8.9475 -8.9475 -7.9878 -7.9878 -7.7240 -7.7240 -7.6692 -7.6692 -7.5150 -7.5150 -7.4757 -7.4757 -5.9992 -5.9992 -5.1388 -5.1388 0.0541 0.0541 0.3375 0.3375 0.4753 0.4753 0.6713 0.6713 1.0945 1.0945 1.5063 1.5063 1.8347 1.8347 2.0247 2.0247 2.1804 2.1804 2.4372 2.4372 2.5045 2.5045 2.7232 2.7232 2.9412 2.9412 3.1417 3.1417 3.2401 3.2401 3.4159 3.4159 3.7741 3.7741 3.8946 3.8946 5.6991 5.6991 6.5445 6.5445 7.1062 7.1062 7.3354 7.3354 7.7759 7.7759 8.1141 8.1141 9.6324 9.6324 k = 0.2800 0.1617-0.0000 ( 11718 PWs) bands (ev): -20.1409 -20.1409 -20.1392 -20.1392 -20.1377 -20.1377 -20.1370 -20.1370 -17.1726 -17.1726 -17.1697 -17.1697 -17.1660 -17.1660 -17.1627 -17.1627 -17.1500 -17.1500 -17.1463 -17.1463 -8.9267 -8.9267 -8.0287 -8.0287 -7.7294 -7.7294 -7.6636 -7.6636 -7.5176 -7.5176 -7.4758 -7.4758 -5.9610 -5.9610 -5.1495 -5.1495 0.0557 0.0557 0.3288 0.3288 0.4755 0.4755 0.6484 0.6484 1.0753 1.0753 1.5229 1.5229 1.8375 1.8375 2.0201 2.0201 2.2195 2.2195 2.4431 2.4431 2.5079 2.5079 2.7347 2.7347 2.9533 2.9533 3.1213 3.1213 3.2516 3.2516 3.4399 3.4399 3.7654 3.7654 3.8922 3.8922 5.7111 5.7111 6.4852 6.4852 7.1019 7.1019 7.3410 7.3410 7.7206 7.7206 8.0932 8.0932 9.5534 9.5534 k = 0.3000 0.1732-0.0000 ( 11722 PWs) bands (ev): -20.1408 -20.1408 -20.1393 -20.1393 -20.1377 -20.1377 -20.1370 -20.1370 -17.1727 -17.1727 -17.1700 -17.1700 -17.1657 -17.1657 -17.1627 -17.1627 -17.1498 -17.1498 -17.1464 -17.1464 -8.9048 -8.9048 -8.0696 -8.0696 -7.7352 -7.7352 -7.6570 -7.6570 -7.5203 -7.5203 -7.4765 -7.4765 -5.9232 -5.9232 -5.1611 -5.1611 0.0575 0.0575 0.3221 0.3221 0.4740 0.4740 0.6283 0.6283 1.0536 1.0536 1.5392 1.5392 1.8379 1.8379 2.0197 2.0197 2.2601 2.2601 2.4360 2.4360 2.5209 2.5209 2.7430 2.7430 2.9701 2.9701 3.0977 3.0977 3.2673 3.2673 3.4645 3.4645 3.7560 3.7560 3.8880 3.8880 5.7237 5.7237 6.4248 6.4248 7.0967 7.0967 7.3471 7.3471 7.6672 7.6672 8.0735 8.0735 9.4764 9.4764 k = 0.3200 0.1848-0.0000 ( 11726 PWs) bands (ev): -20.1408 -20.1408 -20.1394 -20.1394 -20.1377 -20.1377 -20.1371 -20.1371 -17.1727 -17.1727 -17.1702 -17.1702 -17.1655 -17.1655 -17.1627 -17.1627 -17.1497 -17.1497 -17.1465 -17.1465 -8.8820 -8.8820 -8.1100 -8.1100 -7.7410 -7.7410 -7.6498 -7.6498 -7.5228 -7.5228 -7.4779 -7.4779 -5.8863 -5.8863 -5.1735 -5.1735 0.0594 0.0594 0.3174 0.3174 0.4706 0.4706 0.6116 0.6116 1.0302 1.0302 1.5536 1.5536 1.8381 1.8381 2.0227 2.0227 2.3002 2.3002 2.4238 2.4238 2.5365 2.5365 2.7487 2.7487 2.9898 2.9898 3.0739 3.0739 3.2858 3.2858 3.4884 3.4884 3.7462 3.7462 3.8821 3.8821 5.7371 5.7371 6.3638 6.3638 7.0918 7.0918 7.3520 7.3520 7.6171 7.6171 8.0550 8.0550 9.4032 9.4032 k = 0.3400 0.1963-0.0000 ( 11740 PWs) bands (ev): -20.1408 -20.1408 -20.1394 -20.1394 -20.1376 -20.1376 -20.1371 -20.1371 -17.1727 -17.1727 -17.1705 -17.1705 -17.1652 -17.1652 -17.1627 -17.1627 -17.1496 -17.1496 -17.1466 -17.1466 -8.8585 -8.8585 -8.1496 -8.1496 -7.7464 -7.7464 -7.6424 -7.6424 -7.5253 -7.5253 -7.4798 -7.4798 -5.8506 -5.8506 -5.1864 -5.1864 0.0612 0.0612 0.3146 0.3146 0.4655 0.4655 0.5983 0.5983 1.0060 1.0060 1.5648 1.5648 1.8403 1.8403 2.0279 2.0279 2.3364 2.3364 2.4137 2.4137 2.5503 2.5503 2.7520 2.7520 3.0085 3.0085 3.0536 3.0536 3.3058 3.3058 3.5107 3.5107 3.7368 3.7368 3.8749 3.8749 5.7513 5.7513 6.3028 6.3028 7.0884 7.0884 7.3540 7.3540 7.5719 7.5719 8.0379 8.0379 9.3350 9.3350 k = 0.3600 0.2078-0.0000 ( 11748 PWs) bands (ev): -20.1407 -20.1407 -20.1395 -20.1395 -20.1376 -20.1376 -20.1371 -20.1371 -17.1727 -17.1727 -17.1707 -17.1707 -17.1650 -17.1650 -17.1627 -17.1627 -17.1495 -17.1495 -17.1467 -17.1467 -8.8346 -8.8346 -8.1879 -8.1879 -7.7514 -7.7514 -7.6349 -7.6349 -7.5276 -7.5276 -7.4822 -7.4822 -5.8167 -5.8167 -5.1997 -5.1997 0.0629 0.0629 0.3132 0.3132 0.4595 0.4595 0.5882 0.5882 0.9818 0.9818 1.5719 1.5719 1.8462 1.8462 2.0338 2.0338 2.3592 2.3592 2.4166 2.4166 2.5611 2.5611 2.7523 2.7523 3.0130 3.0130 3.0504 3.0504 3.3267 3.3267 3.5302 3.5302 3.7286 3.7286 3.8667 3.8667 5.7663 5.7663 6.2427 6.2427 7.0874 7.0874 7.3509 7.3509 7.5336 7.5336 8.0223 8.0223 9.2727 9.2727 k = 0.3800 0.2194-0.0000 ( 11736 PWs) bands (ev): -20.1407 -20.1407 -20.1396 -20.1396 -20.1375 -20.1375 -20.1371 -20.1371 -17.1727 -17.1727 -17.1710 -17.1710 -17.1648 -17.1648 -17.1627 -17.1627 -17.1493 -17.1493 -17.1468 -17.1468 -8.8107 -8.8107 -8.2246 -8.2246 -7.7559 -7.7559 -7.6276 -7.6276 -7.5296 -7.5296 -7.4849 -7.4849 -5.7849 -5.7849 -5.2131 -5.2131 0.0643 0.0643 0.3130 0.3130 0.4538 0.4538 0.5803 0.5803 0.9585 0.9585 1.5748 1.5748 1.8561 1.8561 2.0392 2.0392 2.3617 2.3617 2.4400 2.4400 2.5691 2.5691 2.7485 2.7485 3.0003 3.0003 3.0668 3.0668 3.3478 3.3478 3.5457 3.5457 3.7227 3.7227 3.8581 3.8581 5.7822 5.7822 6.1844 6.1844 7.0894 7.0894 7.3402 7.3402 7.5047 7.5047 8.0084 8.0084 9.2169 9.2169 k = 0.4000 0.2309-0.0000 ( 11726 PWs) bands (ev): -20.1406 -20.1406 -20.1396 -20.1396 -20.1375 -20.1375 -20.1371 -20.1371 -17.1726 -17.1726 -17.1712 -17.1712 -17.1646 -17.1646 -17.1628 -17.1628 -17.1492 -17.1492 -17.1469 -17.1469 -8.7874 -8.7874 -8.2589 -8.2589 -7.7599 -7.7599 -7.6208 -7.6208 -7.5314 -7.5314 -7.4878 -7.4878 -5.7561 -5.7561 -5.2262 -5.2262 0.0654 0.0654 0.3132 0.3132 0.4495 0.4495 0.5737 0.5737 0.9369 0.9369 1.5744 1.5744 1.8694 1.8694 2.0432 2.0432 2.3575 2.3575 2.4701 2.4701 2.5751 2.5751 2.7401 2.7401 2.9873 2.9873 3.0859 3.0859 3.3688 3.3688 3.5556 3.5556 3.7205 3.7205 3.8493 3.8493 5.7991 5.7991 6.1288 6.1288 7.0950 7.0950 7.3212 7.3212 7.4861 7.4861 7.9964 7.9964 9.1684 9.1684 k = 0.4200 0.2425-0.0000 ( 11742 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1374 -20.1374 -20.1371 -20.1371 -17.1726 -17.1726 -17.1714 -17.1714 -17.1644 -17.1644 -17.1628 -17.1628 -17.1491 -17.1491 -17.1469 -17.1469 -8.7654 -8.7654 -8.2899 -8.2899 -7.7631 -7.7631 -7.6146 -7.6146 -7.5329 -7.5329 -7.4908 -7.4908 -5.7307 -5.7307 -5.2384 -5.2384 0.0662 0.0662 0.3134 0.3134 0.4475 0.4475 0.5679 0.5679 0.9179 0.9179 1.5718 1.5718 1.8846 1.8846 2.0451 2.0451 2.3540 2.3540 2.4980 2.4980 2.5809 2.5809 2.7270 2.7270 2.9777 2.9777 3.1030 3.1030 3.3892 3.3892 3.5588 3.5588 3.7223 3.7223 3.8410 3.8410 5.8173 5.8173 6.0767 6.0767 7.1044 7.1044 7.2956 7.2956 7.4759 7.4759 7.9863 7.9863 9.1278 9.1278 k = 0.4400 0.2540-0.0000 ( 11752 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1374 -20.1374 -20.1371 -20.1371 -17.1725 -17.1725 -17.1716 -17.1716 -17.1643 -17.1643 -17.1629 -17.1629 -17.1490 -17.1490 -17.1470 -17.1470 -8.7458 -8.7458 -8.3166 -8.3166 -7.7657 -7.7657 -7.6093 -7.6093 -7.5342 -7.5342 -7.4935 -7.4935 -5.7097 -5.7097 -5.2491 -5.2491 0.0667 0.0667 0.3133 0.3133 0.4477 0.4477 0.5624 0.5624 0.9022 0.9022 1.5684 1.5684 1.8996 1.8996 2.0449 2.0449 2.3527 2.3527 2.5199 2.5199 2.5893 2.5893 2.7100 2.7100 2.9716 2.9716 3.1170 3.1170 3.4085 3.4085 3.5561 3.5561 3.7274 3.7274 3.8336 3.8336 5.8372 5.8372 6.0290 6.0290 7.1175 7.1175 7.2668 7.2668 7.4710 7.4710 7.9783 7.9783 9.0956 9.0956 k = 0.4600 0.2656-0.0000 ( 11740 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1374 -20.1374 -20.1372 -20.1372 -17.1724 -17.1724 -17.1718 -17.1718 -17.1642 -17.1642 -17.1629 -17.1629 -17.1490 -17.1490 -17.1471 -17.1471 -8.7300 -8.7300 -8.3375 -8.3375 -7.7675 -7.7675 -7.6053 -7.6053 -7.5350 -7.5350 -7.4957 -7.4957 -5.6939 -5.6939 -5.2574 -5.2574 0.0671 0.0671 0.3129 0.3129 0.4495 0.4495 0.5576 0.5576 0.8904 0.8904 1.5653 1.5653 1.9127 1.9127 2.0433 2.0433 2.3531 2.3531 2.5330 2.5330 2.6031 2.6031 2.6904 2.6904 2.9683 2.9683 3.1271 3.1271 3.4256 3.4256 3.5497 3.5497 3.7336 3.7336 3.8276 3.8276 5.8594 5.8594 5.9860 5.9860 7.1340 7.1340 7.2376 7.2376 7.4690 7.4690 7.9725 7.9725 9.0722 9.0722 k = 0.4800 0.2771-0.0000 ( 11726 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1719 -17.1719 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7196 -8.7196 -8.3510 -8.3510 -7.7686 -7.7686 -7.6027 -7.6027 -7.5355 -7.5355 -7.4972 -7.4972 -5.6839 -5.6839 -5.2628 -5.2628 0.0673 0.0673 0.3125 0.3125 0.4515 0.4515 0.5541 0.5541 0.8832 0.8832 1.5631 1.5631 1.9217 1.9217 2.0415 2.0415 2.3541 2.3541 2.5387 2.5387 2.6214 2.6214 2.6699 2.6699 2.9667 2.9667 3.1332 3.1332 3.4383 3.4383 3.5429 3.5429 3.7385 3.7385 3.8236 3.8236 5.8843 5.8843 5.9482 5.9482 7.1531 7.1531 7.2105 7.2105 7.4682 7.4682 7.9690 7.9690 9.0580 9.0580 k = 0.5000 0.2887-0.0000 ( 11718 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7159 -8.7159 -8.3556 -8.3556 -7.7690 -7.7690 -7.6018 -7.6018 -7.5357 -7.5357 -7.4977 -7.4977 -5.6806 -5.6806 -5.2647 -5.2647 0.0673 0.0673 0.3124 0.3124 0.4523 0.4523 0.5528 0.5528 0.8807 0.8807 1.5624 1.5624 1.9249 1.9249 2.0406 2.0406 2.3546 2.3546 2.5401 2.5401 2.6351 2.6351 2.6557 2.6557 2.9662 2.9662 3.1352 3.1352 3.4431 3.4431 3.5398 3.5398 3.7404 3.7404 3.8222 3.8222 5.9074 5.9074 5.9208 5.9208 7.1669 7.1669 7.1940 7.1940 7.4680 7.4680 7.9679 7.9679 9.0533 9.0533 k = 0.5000 0.2887-0.0000 ( 11718 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7159 -8.7159 -8.3556 -8.3556 -7.7690 -7.7690 -7.6018 -7.6018 -7.5357 -7.5357 -7.4977 -7.4977 -5.6806 -5.6806 -5.2647 -5.2647 0.0673 0.0673 0.3124 0.3124 0.4523 0.4523 0.5528 0.5528 0.8807 0.8807 1.5624 1.5624 1.9249 1.9249 2.0406 2.0406 2.3546 2.3546 2.5401 2.5401 2.6351 2.6351 2.6557 2.6557 2.9662 2.9662 3.1352 3.1352 3.4431 3.4431 3.5398 3.5398 3.7404 3.7404 3.8222 3.8222 5.9074 5.9074 5.9208 5.9208 7.1669 7.1669 7.1940 7.1940 7.4680 7.4680 7.9679 7.9679 9.0533 9.0533 k = 0.4889 0.3079-0.0000 ( 11714 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1724 -17.1724 -17.1719 -17.1719 -17.1641 -17.1641 -17.1629 -17.1629 -17.1489 -17.1489 -17.1471 -17.1471 -8.7151 -8.7151 -8.3562 -8.3562 -7.7706 -7.7706 -7.6016 -7.6016 -7.5363 -7.5363 -7.4963 -7.4963 -5.6793 -5.6793 -5.2655 -5.2655 0.0680 0.0680 0.3111 0.3111 0.4502 0.4502 0.5550 0.5550 0.8816 0.8816 1.5630 1.5630 1.9150 1.9150 2.0483 2.0483 2.3515 2.3515 2.5439 2.5439 2.6228 2.6228 2.6698 2.6698 2.9662 2.9662 3.1360 3.1360 3.4411 3.4411 3.5425 3.5425 3.7391 3.7391 3.8231 3.8231 5.9056 5.9056 5.9203 5.9203 7.1625 7.1625 7.1973 7.1973 7.4685 7.4685 7.9655 7.9655 9.0550 9.0550 k = 0.4778 0.3272-0.0000 ( 11736 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1374 -20.1374 -20.1372 -20.1372 -17.1726 -17.1726 -17.1716 -17.1716 -17.1643 -17.1643 -17.1628 -17.1628 -17.1489 -17.1489 -17.1471 -17.1471 -8.7125 -8.7125 -8.3580 -8.3580 -7.7752 -7.7752 -7.6011 -7.6011 -7.5379 -7.5379 -7.4926 -7.4926 -5.6754 -5.6754 -5.2680 -5.2680 0.0700 0.0700 0.3074 0.3074 0.4442 0.4442 0.5611 0.5611 0.8842 0.8842 1.5647 1.5647 1.8917 1.8917 2.0646 2.0646 2.3437 2.3437 2.5515 2.5515 2.6092 2.6092 2.6914 2.6914 2.9661 2.9661 3.1384 3.1384 3.4354 3.4354 3.5498 3.5498 3.7355 3.7355 3.8256 3.8256 5.9007 5.9007 5.9187 5.9187 7.1526 7.1526 7.2041 7.2041 7.4700 7.4700 7.9584 7.9584 9.0602 9.0602 k = 0.4667 0.3464-0.0000 ( 11752 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1374 -20.1374 -20.1371 -20.1371 -17.1728 -17.1728 -17.1714 -17.1714 -17.1645 -17.1645 -17.1626 -17.1626 -17.1489 -17.1489 -17.1471 -17.1471 -8.7082 -8.7082 -8.3611 -8.3611 -7.7824 -7.7824 -7.6003 -7.6003 -7.5399 -7.5399 -7.4872 -7.4872 -5.6690 -5.6690 -5.2722 -5.2722 0.0732 0.0732 0.3015 0.3015 0.4352 0.4352 0.5702 0.5702 0.8881 0.8881 1.5667 1.5667 1.8642 1.8642 2.0811 2.0811 2.3340 2.3340 2.5519 2.5519 2.6099 2.6099 2.7135 2.7135 2.9661 2.9661 3.1423 3.1423 3.4274 3.4274 3.5605 3.5605 3.7302 3.7302 3.8292 3.8292 5.8931 5.8931 5.9155 5.9155 7.1401 7.1401 7.2116 7.2116 7.4724 7.4724 7.9469 7.9469 9.0687 9.0687 k = 0.4556 0.3657-0.0000 ( 11740 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1374 -20.1374 -20.1371 -20.1371 -17.1730 -17.1730 -17.1711 -17.1711 -17.1648 -17.1648 -17.1624 -17.1624 -17.1489 -17.1489 -17.1472 -17.1472 -8.7023 -8.7023 -8.3655 -8.3655 -7.7918 -7.7918 -7.5991 -7.5991 -7.5420 -7.5420 -7.4809 -7.4809 -5.6601 -5.6601 -5.2781 -5.2781 0.0777 0.0777 0.2939 0.2939 0.4242 0.4242 0.5816 0.5816 0.8927 0.8927 1.5678 1.5678 1.8377 1.8377 2.0932 2.0932 2.3246 2.3246 2.5410 2.5410 2.6275 2.6275 2.7352 2.7352 2.9663 2.9663 3.1474 3.1474 3.4180 3.4180 3.5731 3.5731 3.7241 3.7241 3.8335 3.8335 5.8831 5.8831 5.9106 5.9106 7.1263 7.1263 7.2192 7.2192 7.4759 7.4759 7.9313 7.9313 9.0807 9.0807 k = 0.4444 0.3849-0.0000 ( 11748 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1375 -20.1375 -20.1371 -20.1371 -17.1731 -17.1731 -17.1709 -17.1709 -17.1650 -17.1650 -17.1622 -17.1622 -17.1488 -17.1488 -17.1472 -17.1472 -8.6946 -8.6946 -8.3713 -8.3713 -7.8026 -7.8026 -7.5976 -7.5976 -7.5441 -7.5441 -7.4743 -7.4743 -5.6489 -5.6489 -5.2856 -5.2856 0.0834 0.0834 0.2848 0.2848 0.4119 0.4119 0.5947 0.5947 0.8973 0.8973 1.5665 1.5665 1.8156 1.8156 2.0996 2.0996 2.3166 2.3166 2.5269 2.5269 2.6528 2.6528 2.7560 2.7560 2.9668 2.9668 3.1534 3.1534 3.4079 3.4079 3.5865 3.5865 3.7181 3.7181 3.8381 3.8381 5.8711 5.8711 5.9041 5.9041 7.1117 7.1117 7.2266 7.2266 7.4802 7.4802 7.9122 7.9122 9.0959 9.0959 k = 0.4333 0.4041-0.0000 ( 11748 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1375 -20.1375 -20.1370 -20.1370 -17.1733 -17.1733 -17.1706 -17.1706 -17.1653 -17.1653 -17.1621 -17.1621 -17.1488 -17.1488 -17.1472 -17.1472 -8.6853 -8.6853 -8.3787 -8.3787 -7.8143 -7.8143 -7.5959 -7.5959 -7.5461 -7.5461 -7.4678 -7.4678 -5.6355 -5.6355 -5.2947 -5.2947 0.0901 0.0901 0.2749 0.2749 0.3989 0.3989 0.6091 0.6091 0.9012 0.9012 1.5617 1.5617 1.8000 1.8000 2.1007 2.1007 2.3099 2.3099 2.5135 2.5135 2.6809 2.6809 2.7756 2.7756 2.9680 2.9680 3.1600 3.1600 3.3976 3.3976 3.5996 3.5996 3.7133 3.7133 3.8429 3.8429 5.8575 5.8575 5.8961 5.8961 7.0970 7.0970 7.2339 7.2339 7.4854 7.4854 7.8903 7.8903 9.1144 9.1144 k = 0.4222 0.4234-0.0000 ( 11738 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1375 -20.1375 -20.1370 -20.1370 -17.1734 -17.1734 -17.1703 -17.1703 -17.1656 -17.1656 -17.1619 -17.1619 -17.1487 -17.1487 -17.1473 -17.1473 -8.6743 -8.6743 -8.3879 -8.3879 -7.8262 -7.8262 -7.5938 -7.5938 -7.5480 -7.5480 -7.4616 -7.4616 -5.6201 -5.6201 -5.3055 -5.3055 0.0977 0.0977 0.2643 0.2643 0.3856 0.3856 0.6246 0.6246 0.9033 0.9033 1.5531 1.5531 1.7915 1.7915 2.0980 2.0980 2.3037 2.3037 2.5017 2.5017 2.7094 2.7094 2.7938 2.7938 2.9698 2.9698 3.1668 3.1668 3.3872 3.3872 3.6112 3.6112 3.7105 3.7105 3.8477 3.8477 5.8426 5.8426 5.8869 5.8869 7.0826 7.0826 7.2411 7.2411 7.4914 7.4914 7.8663 7.8663 9.1360 9.1360 k = 0.4111 0.4426-0.0000 ( 11733 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1370 -20.1370 -17.1736 -17.1736 -17.1701 -17.1701 -17.1659 -17.1659 -17.1618 -17.1618 -17.1487 -17.1487 -17.1473 -17.1473 -8.6617 -8.6617 -8.3988 -8.3988 -7.8378 -7.8378 -7.5915 -7.5915 -7.5500 -7.5500 -7.4560 -7.4560 -5.6029 -5.6029 -5.3179 -5.3179 0.1062 0.1062 0.2535 0.2535 0.3725 0.3725 0.6411 0.6411 0.9031 0.9031 1.5417 1.5417 1.7890 1.7890 2.0935 2.0935 2.2976 2.2976 2.4916 2.4916 2.7369 2.7369 2.8109 2.8109 2.9721 2.9721 3.1736 3.1736 3.3773 3.3773 3.6203 3.6203 3.7108 3.7108 3.8524 3.8524 5.8272 5.8272 5.8767 5.8767 7.0690 7.0690 7.2480 7.2480 7.4981 7.4981 7.8412 7.8412 9.1606 9.1606 k = 0.4000 0.4619-0.0000 ( 11749 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1370 -20.1370 -17.1737 -17.1737 -17.1698 -17.1698 -17.1662 -17.1662 -17.1617 -17.1617 -17.1486 -17.1486 -17.1474 -17.1474 -8.6474 -8.6474 -8.4116 -8.4116 -7.8485 -7.8485 -7.5889 -7.5889 -7.5520 -7.5520 -7.4512 -7.4512 -5.5840 -5.5840 -5.3319 -5.3319 0.1154 0.1154 0.2426 0.2426 0.3600 0.3600 0.6583 0.6583 0.8998 0.8998 1.5296 1.5296 1.7903 1.7903 2.0889 2.0889 2.2917 2.2917 2.4823 2.4823 2.7618 2.7618 2.8271 2.8271 2.9748 2.9748 3.1800 3.1800 3.3680 3.3680 3.6263 3.6263 3.7143 3.7143 3.8568 3.8568 5.8117 5.8117 5.8660 5.8660 7.0567 7.0567 7.2547 7.2547 7.5051 7.5051 7.8158 7.8158 9.1880 9.1880 k = 0.3889 0.4811-0.0000 ( 11737 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1370 -20.1370 -17.1738 -17.1738 -17.1696 -17.1696 -17.1664 -17.1664 -17.1615 -17.1615 -17.1485 -17.1485 -17.1475 -17.1475 -8.6315 -8.6315 -8.4265 -8.4265 -7.8581 -7.8581 -7.5861 -7.5861 -7.5542 -7.5542 -7.4471 -7.4471 -5.5637 -5.5637 -5.3476 -5.3476 0.1251 0.1251 0.2319 0.2319 0.3485 0.3485 0.6762 0.6762 0.8932 0.8932 1.5184 1.5184 1.7932 1.7932 2.0850 2.0850 2.2870 2.2870 2.4733 2.4733 2.7829 2.7829 2.8430 2.8430 2.9773 2.9773 3.1857 3.1857 3.3597 3.3597 3.6294 3.6294 3.7204 3.7204 3.8609 3.8609 5.7972 5.7972 5.8551 5.8551 7.0459 7.0459 7.2608 7.2608 7.5122 7.5122 7.7912 7.7912 9.2181 9.2181 k = 0.3778 0.5004-0.0000 ( 11737 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1739 -17.1739 -17.1693 -17.1693 -17.1667 -17.1667 -17.1615 -17.1615 -17.1485 -17.1485 -17.1475 -17.1475 -8.6140 -8.6140 -8.4433 -8.4433 -7.8661 -7.8661 -7.5831 -7.5831 -7.5565 -7.5565 -7.4439 -7.4439 -5.5422 -5.5422 -5.3648 -5.3648 0.1352 0.1352 0.2213 0.2213 0.3383 0.3383 0.6944 0.6944 0.8832 0.8832 1.5094 1.5094 1.7961 1.7961 2.0822 2.0822 2.2844 2.2844 2.4640 2.4640 2.7995 2.7995 2.8586 2.8586 2.9794 2.9794 3.1906 3.1906 3.3528 3.3528 3.6308 3.6308 3.7276 3.7276 3.8646 3.8646 5.7843 5.7843 5.8445 5.8445 7.0370 7.0370 7.2662 7.2662 7.5189 7.5189 7.7687 7.7687 9.2503 9.2503 k = 0.3667 0.5196-0.0000 ( 11739 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1739 -17.1739 -17.1691 -17.1691 -17.1669 -17.1669 -17.1614 -17.1614 -17.1484 -17.1484 -17.1476 -17.1476 -8.5950 -8.5950 -8.4620 -8.4620 -7.8725 -7.8725 -7.5799 -7.5799 -7.5591 -7.5591 -7.4415 -7.4415 -5.5198 -5.5198 -5.3835 -5.3835 0.1455 0.1455 0.2110 0.2110 0.3298 0.3298 0.7127 0.7127 0.8705 0.8705 1.5031 1.5031 1.7981 1.7981 2.0803 2.0803 2.2844 2.2844 2.4547 2.4547 2.8116 2.8116 2.8731 2.8731 2.9807 2.9807 3.1944 3.1944 3.3475 3.3475 3.6313 3.6313 3.7345 3.7345 3.8676 3.8676 5.7739 5.7739 5.8346 5.8346 7.0301 7.0301 7.2707 7.2707 7.5247 7.5247 7.7495 7.7495 9.2837 9.2837 k = 0.3556 0.5389-0.0000 ( 11735 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1690 -17.1690 -17.1671 -17.1671 -17.1613 -17.1613 -17.1483 -17.1483 -17.1477 -17.1477 -8.5744 -8.5744 -8.4825 -8.4825 -7.8770 -7.8770 -7.5765 -7.5765 -7.5619 -7.5619 -7.4398 -7.4398 -5.4967 -5.4967 -5.4038 -5.4038 0.1556 0.1556 0.2012 0.2012 0.3234 0.3234 0.7299 0.7299 0.8565 0.8565 1.4993 1.4993 1.7991 1.7991 2.0790 2.0790 2.2867 2.2867 2.4459 2.4459 2.8199 2.8199 2.8847 2.8847 2.9812 2.9812 3.1971 3.1971 3.3439 3.3439 3.6314 3.6314 3.7400 3.7400 3.8699 3.8699 5.7666 5.7666 5.8262 5.8262 7.0252 7.0252 7.2740 7.2740 7.5291 7.5291 7.7348 7.7348 9.3158 9.3158 k = 0.3444 0.5581-0.0000 ( 11739 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1689 -17.1689 -17.1672 -17.1672 -17.1613 -17.1613 -17.1483 -17.1483 -17.1477 -17.1477 -8.5524 -8.5524 -8.5045 -8.5045 -7.8797 -7.8797 -7.5731 -7.5731 -7.5649 -7.5649 -7.4389 -7.4389 -5.4731 -5.4731 -5.4256 -5.4256 0.1647 0.1647 0.1924 0.1924 0.3193 0.3193 0.7438 0.7438 0.8441 0.8441 1.4976 1.4976 1.7992 1.7992 2.0781 2.0781 2.2898 2.2898 2.4392 2.4392 2.8250 2.8250 2.8922 2.8922 2.9812 2.9812 3.1988 3.1988 3.3420 3.3420 3.6314 3.6314 3.7435 3.7435 3.8713 3.8713 5.7628 5.7628 5.8200 5.8200 7.0224 7.0224 7.2760 7.2760 7.5315 7.5315 7.7258 7.7258 9.3404 9.3404 k = 0.3333 0.5774-0.0000 ( 11757 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5324 -8.5324 -8.5247 -8.5247 -7.8806 -7.8806 -7.5707 -7.5707 -7.5671 -7.5671 -7.4386 -7.4386 -5.4513 -5.4513 -5.4468 -5.4468 0.1695 0.1695 0.1877 0.1877 0.3179 0.3179 0.7497 0.7497 0.8386 0.8386 1.4972 1.4972 1.7991 1.7991 2.0778 2.0778 2.2914 2.2914 2.4366 2.4366 2.8267 2.8267 2.8946 2.8946 2.9812 2.9812 3.1994 3.1994 3.3415 3.3415 3.6315 3.6315 3.7446 3.7446 3.8718 3.8718 5.7618 5.7618 5.8175 5.8175 7.0214 7.0214 7.2766 7.2766 7.5322 7.5322 7.7228 7.7228 9.3484 9.3484 k = 0.3333 0.5774-0.0000 ( 11757 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5324 -8.5324 -8.5247 -8.5247 -7.8806 -7.8806 -7.5707 -7.5707 -7.5671 -7.5671 -7.4386 -7.4386 -5.4513 -5.4513 -5.4468 -5.4468 0.1695 0.1695 0.1877 0.1877 0.3179 0.3179 0.7497 0.7497 0.8386 0.8386 1.4972 1.4972 1.7991 1.7991 2.0778 2.0778 2.2914 2.2914 2.4366 2.4366 2.8267 2.8267 2.8946 2.8946 2.9812 2.9812 3.1994 3.1994 3.3415 3.3415 3.6315 3.6315 3.7446 3.7446 3.8718 3.8718 5.7618 5.7618 5.8175 5.8175 7.0214 7.0214 7.2766 7.2766 7.5322 7.5322 7.7228 7.7228 9.3484 9.3484 k = 0.3218 0.5574-0.0000 ( 11741 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1689 -17.1689 -17.1672 -17.1672 -17.1613 -17.1613 -17.1483 -17.1483 -17.1477 -17.1477 -8.5546 -8.5546 -8.5023 -8.5023 -7.8797 -7.8797 -7.5735 -7.5735 -7.5646 -7.5646 -7.4389 -7.4389 -5.4747 -5.4747 -5.4240 -5.4240 0.1646 0.1646 0.1924 0.1924 0.3195 0.3195 0.7431 0.7431 0.8450 0.8450 1.4973 1.4973 1.7995 1.7995 2.0783 2.0783 2.2891 2.2891 2.4397 2.4397 2.8246 2.8246 2.8925 2.8925 2.9812 2.9812 3.1987 3.1987 3.3418 3.3418 3.6314 3.6314 3.7435 3.7435 3.8713 3.8713 5.7621 5.7621 5.8211 5.8211 7.0223 7.0223 7.2760 7.2760 7.5318 7.5318 7.7258 7.7258 9.3446 9.3446 k = 0.3103 0.5375-0.0000 ( 11745 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1689 -17.1689 -17.1671 -17.1671 -17.1613 -17.1613 -17.1483 -17.1483 -17.1476 -17.1476 -8.5813 -8.5813 -8.4750 -8.4750 -7.8770 -7.8770 -7.5779 -7.5779 -7.5607 -7.5607 -7.4397 -7.4397 -5.5018 -5.5018 -5.3993 -5.3993 0.1555 0.1555 0.2008 0.2008 0.3243 0.3243 0.7268 0.7268 0.8613 0.8613 1.4971 1.4971 1.8008 1.8008 2.0799 2.0799 2.2819 2.2819 2.4486 2.4486 2.8174 2.8174 2.8875 2.8875 2.9806 2.9806 3.1964 3.1964 3.3423 3.3423 3.6310 3.6310 3.7406 3.7406 3.8699 3.8699 5.7616 5.7616 5.8332 5.8332 7.0249 7.0249 7.2746 7.2746 7.5313 7.5313 7.7340 7.7340 9.3405 9.3405 k = 0.2989 0.5176-0.0000 ( 11737 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1739 -17.1739 -17.1691 -17.1691 -17.1670 -17.1670 -17.1614 -17.1614 -17.1484 -17.1484 -17.1476 -17.1476 -8.6089 -8.6089 -8.4462 -8.4462 -7.8728 -7.8728 -7.5830 -7.5830 -7.5565 -7.5565 -7.4409 -7.4409 -5.5304 -5.5304 -5.3749 -5.3749 0.1456 0.1456 0.2096 0.2096 0.3324 0.3324 0.7061 0.7061 0.8824 0.8824 1.4959 1.4959 1.8037 1.8037 2.0830 2.0830 2.2711 2.2711 2.4611 2.4611 2.8045 2.8045 2.8820 2.8820 2.9791 2.9791 3.1922 3.1922 3.3419 3.3419 3.6301 3.6301 3.7368 3.7368 3.8678 3.8678 5.7597 5.7597 5.8547 5.8547 7.0287 7.0287 7.2732 7.2732 7.5318 7.5318 7.7464 7.7464 9.3411 9.3411 k = 0.2874 0.4977-0.0000 ( 11745 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1739 -17.1739 -17.1692 -17.1692 -17.1668 -17.1668 -17.1615 -17.1615 -17.1485 -17.1485 -17.1475 -17.1475 -8.6371 -8.6371 -8.4160 -8.4160 -7.8671 -7.8671 -7.5885 -7.5885 -7.5523 -7.5523 -7.4423 -7.4423 -5.5605 -5.5605 -5.3509 -5.3509 0.1356 0.1356 0.2179 0.2179 0.3438 0.3438 0.6840 0.6840 0.9057 0.9057 1.4933 1.4933 1.8083 1.8083 2.0875 2.0875 2.2586 2.2586 2.4742 2.4742 2.7863 2.7863 2.8768 2.8768 2.9765 2.9765 3.1859 3.1859 3.3397 3.3397 3.6281 3.6281 3.7332 3.7332 3.8655 3.8655 5.7565 5.7565 5.8845 5.8845 7.0334 7.0334 7.2728 7.2728 7.5340 7.5340 7.7620 7.7620 9.3480 9.3480 k = 0.2759 0.4778-0.0000 ( 11723 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1376 -20.1376 -20.1369 -20.1369 -17.1738 -17.1738 -17.1693 -17.1693 -17.1667 -17.1667 -17.1615 -17.1615 -17.1486 -17.1486 -17.1474 -17.1474 -8.6656 -8.6656 -8.3844 -8.3844 -7.8602 -7.8602 -7.5946 -7.5946 -7.5481 -7.5481 -7.4441 -7.4441 -5.5918 -5.5918 -5.3276 -5.3276 0.1257 0.1257 0.2260 0.2260 0.3583 0.3583 0.6620 0.6620 0.9301 0.9301 1.4890 1.4890 1.8146 1.8146 2.0931 2.0931 2.2462 2.2462 2.4850 2.4850 2.7643 2.7643 2.8713 2.8713 2.9734 2.9734 3.1777 3.1777 3.3348 3.3348 3.6245 3.6245 3.7312 3.7312 3.8632 3.8632 5.7527 5.7527 5.9217 5.9217 7.0386 7.0386 7.2743 7.2743 7.5381 7.5381 7.7802 7.7802 9.3617 9.3617 k = 0.2644 0.4579-0.0000 ( 11731 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1376 -20.1376 -20.1370 -20.1370 -17.1737 -17.1737 -17.1694 -17.1694 -17.1665 -17.1665 -17.1616 -17.1616 -17.1488 -17.1488 -17.1472 -17.1472 -8.6942 -8.6942 -8.3515 -8.3515 -7.8521 -7.8521 -7.6011 -7.6011 -7.5439 -7.5439 -7.4460 -7.4460 -5.6245 -5.6245 -5.3051 -5.3051 0.1161 0.1161 0.2337 0.2337 0.3756 0.3756 0.6408 0.6408 0.9547 0.9547 1.4833 1.4833 1.8225 1.8225 2.0990 2.0990 2.2357 2.2357 2.4910 2.4910 2.7408 2.7408 2.8644 2.8644 2.9711 2.9711 3.1677 3.1677 3.3266 3.3266 3.6183 3.6183 3.7318 3.7318 3.8615 3.8615 5.7482 5.7482 5.9650 5.9650 7.0438 7.0438 7.2784 7.2784 7.5444 7.5444 7.8005 7.8005 9.3820 9.3820 k = 0.2529 0.4380-0.0000 ( 11737 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1376 -20.1376 -20.1370 -20.1370 -17.1736 -17.1736 -17.1695 -17.1695 -17.1664 -17.1664 -17.1617 -17.1617 -17.1489 -17.1489 -17.1471 -17.1471 -8.7227 -8.7227 -8.3175 -8.3175 -7.8431 -7.8431 -7.6080 -7.6080 -7.5397 -7.5397 -7.4480 -7.4480 -5.6584 -5.6584 -5.2835 -5.2835 0.1069 0.1069 0.2413 0.2413 0.3955 0.3955 0.6207 0.6207 0.9792 0.9792 1.4764 1.4764 1.8315 1.8315 2.1041 2.1041 2.2288 2.2288 2.4898 2.4898 2.7177 2.7177 2.8544 2.8544 2.9712 2.9712 3.1564 3.1564 3.3151 3.3151 3.6089 3.6089 3.7359 3.7359 3.8606 3.8606 5.7433 5.7433 6.0136 6.0136 7.0491 7.0491 7.2855 7.2855 7.5532 7.5532 7.8226 7.8226 9.4088 9.4088 k = 0.2414 0.4181-0.0000 ( 11721 PWs) bands (ev): -20.1406 -20.1406 -20.1396 -20.1396 -20.1376 -20.1376 -20.1370 -20.1370 -17.1735 -17.1735 -17.1696 -17.1696 -17.1663 -17.1663 -17.1618 -17.1618 -17.1490 -17.1490 -17.1470 -17.1470 -8.7509 -8.7509 -8.2824 -8.2824 -7.8333 -7.8333 -7.6152 -7.6152 -7.5355 -7.5355 -7.4502 -7.4502 -5.6934 -5.6934 -5.2628 -5.2628 0.0982 0.0982 0.2490 0.2490 0.4176 0.4176 0.6021 0.6021 1.0032 1.0032 1.4686 1.4686 1.8414 1.8414 2.1067 2.1067 2.2270 2.2270 2.4799 2.4799 2.6964 2.6964 2.8406 2.8406 2.9750 2.9750 3.1443 3.1443 3.3004 3.3004 3.5961 3.5961 3.7434 3.7434 3.8607 3.8607 5.7378 5.7378 6.0664 6.0664 7.0543 7.0543 7.2951 7.2951 7.5646 7.5646 7.8463 7.8463 9.4414 9.4414 k = 0.2299 0.3982-0.0000 ( 11715 PWs) bands (ev): -20.1407 -20.1407 -20.1396 -20.1396 -20.1376 -20.1376 -20.1370 -20.1370 -17.1734 -17.1734 -17.1696 -17.1696 -17.1663 -17.1663 -17.1619 -17.1619 -17.1492 -17.1492 -17.1469 -17.1469 -8.7785 -8.7785 -8.2463 -8.2463 -7.8227 -7.8227 -7.6228 -7.6228 -7.5314 -7.5314 -7.4525 -7.4525 -5.7294 -5.7294 -5.2433 -5.2433 0.0901 0.0901 0.2569 0.2569 0.4416 0.4416 0.5851 0.5851 1.0263 1.0263 1.4604 1.4604 1.8518 1.8518 2.1055 2.1055 2.2311 2.2311 2.4611 2.4611 2.6770 2.6770 2.8235 2.8235 2.9832 2.9832 3.1320 3.1320 3.2832 3.2832 3.5799 3.5799 3.7534 3.7534 3.8617 3.8617 5.7318 5.7318 6.1226 6.1226 7.0597 7.0597 7.3062 7.3062 7.5793 7.5793 7.8715 7.8715 9.4791 9.4791 k = 0.2184 0.3783-0.0000 ( 11719 PWs) bands (ev): -20.1407 -20.1407 -20.1395 -20.1395 -20.1377 -20.1377 -20.1370 -20.1370 -17.1733 -17.1733 -17.1696 -17.1696 -17.1662 -17.1662 -17.1620 -17.1620 -17.1493 -17.1493 -17.1468 -17.1468 -8.8056 -8.8056 -8.2093 -8.2093 -7.8116 -7.8116 -7.6305 -7.6305 -7.5275 -7.5275 -7.4548 -7.4548 -5.7663 -5.7663 -5.2248 -5.2248 0.0826 0.0826 0.2651 0.2651 0.4670 0.4670 0.5699 0.5699 1.0483 1.0483 1.4522 1.4522 1.8623 1.8623 2.1005 2.1005 2.2404 2.2404 2.4353 2.4353 2.6579 2.6579 2.8046 2.8046 2.9949 2.9949 3.1199 3.1199 3.2645 3.2645 3.5609 3.5609 3.7649 3.7649 3.8635 3.8635 5.7254 5.7254 6.1813 6.1813 7.0656 7.0656 7.3174 7.3174 7.5981 7.5981 7.8980 7.8980 9.5205 9.5205 k = 0.2069 0.3584-0.0000 ( 11717 PWs) bands (ev): -20.1407 -20.1407 -20.1394 -20.1394 -20.1377 -20.1377 -20.1370 -20.1370 -17.1732 -17.1732 -17.1696 -17.1696 -17.1662 -17.1662 -17.1621 -17.1621 -17.1494 -17.1494 -17.1467 -17.1467 -8.8319 -8.8319 -8.1715 -8.1715 -7.8001 -7.8001 -7.6383 -7.6383 -7.5237 -7.5237 -7.4572 -7.4572 -5.8041 -5.8041 -5.2076 -5.2076 0.0759 0.0759 0.2738 0.2738 0.4928 0.4928 0.5574 0.5574 1.0689 1.0689 1.4445 1.4445 1.8725 1.8725 2.0922 2.0922 2.2522 2.2522 2.4060 2.4060 2.6374 2.6374 2.7860 2.7860 3.0086 3.0086 3.1093 3.1093 3.2453 3.2453 3.5394 3.5394 3.7768 3.7768 3.8659 3.8659 5.7187 5.7187 6.2417 6.2417 7.0720 7.0720 7.3272 7.3272 7.6216 7.6216 7.9257 7.9257 9.5642 9.5642 k = 0.1954 0.3384-0.0000 ( 11719 PWs) bands (ev): -20.1408 -20.1408 -20.1394 -20.1394 -20.1377 -20.1377 -20.1370 -20.1370 -17.1731 -17.1731 -17.1695 -17.1695 -17.1663 -17.1663 -17.1622 -17.1622 -17.1496 -17.1496 -17.1466 -17.1466 -8.8573 -8.8573 -8.1331 -8.1331 -7.7883 -7.7883 -7.6462 -7.6462 -7.5200 -7.5200 -7.4597 -7.4597 -5.8425 -5.8425 -5.1916 -5.1916 0.0700 0.0700 0.2831 0.2831 0.5142 0.5142 0.5518 0.5518 1.0878 1.0878 1.4375 1.4375 1.8820 1.8820 2.0816 2.0816 2.2612 2.2612 2.3791 2.3791 2.6140 2.6140 2.7689 2.7689 3.0208 3.0208 3.1028 3.1028 3.2267 3.2267 3.5158 3.5158 3.7881 3.7881 3.8688 3.8688 5.7118 5.7118 6.3031 6.3031 7.0790 7.0790 7.3343 7.3343 7.6504 7.6504 7.9545 7.9545 9.6110 9.6110 k = 0.1839 0.3185-0.0000 ( 11725 PWs) bands (ev): -20.1408 -20.1408 -20.1393 -20.1393 -20.1377 -20.1377 -20.1370 -20.1370 -17.1730 -17.1730 -17.1694 -17.1694 -17.1663 -17.1663 -17.1623 -17.1623 -17.1497 -17.1497 -17.1465 -17.1465 -8.8818 -8.8818 -8.0941 -8.0941 -7.7763 -7.7763 -7.6539 -7.6539 -7.5165 -7.5165 -7.4623 -7.4623 -5.8814 -5.8814 -5.1767 -5.1767 0.0649 0.0649 0.2931 0.2931 0.5182 0.5182 0.5659 0.5659 1.1047 1.1047 1.4318 1.4318 1.8900 1.8900 2.0696 2.0696 2.2582 2.2582 2.3642 2.3642 2.5878 2.5878 2.7541 2.7541 3.0257 3.0257 3.1054 3.1054 3.2098 3.2098 3.4905 3.4905 3.7981 3.7981 3.8719 3.8719 5.7049 5.7049 6.3647 6.3647 7.0865 7.0865 7.3381 7.3381 7.6846 7.6846 7.9842 7.9842 9.6618 9.6618 k = 0.1724 0.2986-0.0000 ( 11723 PWs) bands (ev): -20.1408 -20.1408 -20.1393 -20.1393 -20.1378 -20.1378 -20.1370 -20.1370 -17.1729 -17.1729 -17.1693 -17.1693 -17.1664 -17.1664 -17.1624 -17.1624 -17.1498 -17.1498 -17.1464 -17.1464 -8.9051 -8.9051 -8.0549 -8.0549 -7.7644 -7.7644 -7.6613 -7.6613 -7.5133 -7.5133 -7.4650 -7.4650 -5.9207 -5.9207 -5.1631 -5.1631 0.0607 0.0607 0.3039 0.3039 0.5112 0.5112 0.5930 0.5930 1.1193 1.1193 1.4275 1.4275 1.8955 1.8955 2.0571 2.0571 2.2381 2.2381 2.3669 2.3669 2.5599 2.5599 2.7411 2.7411 3.0205 3.0205 3.1192 3.1192 3.1956 3.1956 3.4640 3.4640 3.8062 3.8062 3.8749 3.8749 5.6979 5.6979 6.4261 6.4261 7.0938 7.0938 7.3389 7.3389 7.7236 7.7236 8.0146 8.0146 9.7169 9.7169 k = 0.1609 0.2787-0.0000 ( 11717 PWs) bands (ev): -20.1409 -20.1409 -20.1392 -20.1392 -20.1378 -20.1378 -20.1370 -20.1370 -17.1728 -17.1728 -17.1692 -17.1692 -17.1665 -17.1665 -17.1625 -17.1625 -17.1500 -17.1500 -17.1463 -17.1463 -8.9273 -8.9273 -8.0154 -8.0154 -7.7527 -7.7527 -7.6684 -7.6684 -7.5103 -7.5103 -7.4678 -7.4678 -5.9600 -5.9600 -5.1506 -5.1506 0.0573 0.0573 0.3155 0.3155 0.5027 0.5027 0.6230 0.6230 1.1311 1.1311 1.4249 1.4249 1.8967 1.8967 2.0455 2.0455 2.2086 2.2086 2.3796 2.3796 2.5319 2.5319 2.7290 2.7290 3.0091 3.0091 3.1390 3.1390 3.1857 3.1857 3.4368 3.4368 3.8122 3.8122 3.8775 3.8775 5.6909 5.6909 6.4867 6.4867 7.1003 7.1003 7.3374 7.3374 7.7668 7.7668 8.0454 8.0454 9.7747 9.7747 k = 0.1494 0.2588-0.0000 ( 11731 PWs) bands (ev): -20.1409 -20.1409 -20.1391 -20.1391 -20.1378 -20.1378 -20.1370 -20.1370 -17.1727 -17.1727 -17.1690 -17.1690 -17.1667 -17.1667 -17.1626 -17.1626 -17.1501 -17.1501 -17.1463 -17.1463 -8.9482 -8.9482 -7.9761 -7.9761 -7.7415 -7.7415 -7.6746 -7.6746 -7.5076 -7.5076 -7.4707 -7.4707 -5.9993 -5.9993 -5.1393 -5.1393 0.0548 0.0548 0.3282 0.3282 0.4945 0.4945 0.6539 0.6539 1.1399 1.1399 1.4242 1.4242 1.8913 1.8913 2.0371 2.0371 2.1775 2.1775 2.3939 2.3939 2.5061 2.5061 2.7169 2.7169 2.9962 2.9962 3.1536 3.1536 3.1866 3.1866 3.4102 3.4102 3.8159 3.8159 3.8795 3.8795 5.6839 5.6839 6.5459 6.5459 7.1052 7.1052 7.3349 7.3349 7.8129 7.8129 8.0764 8.0764 9.8181 9.8181 k = 0.1379 0.2389-0.0000 ( 11725 PWs) bands (ev): -20.1409 -20.1409 -20.1390 -20.1390 -20.1379 -20.1379 -20.1370 -20.1370 -17.1726 -17.1726 -17.1688 -17.1688 -17.1669 -17.1669 -17.1627 -17.1627 -17.1502 -17.1502 -17.1462 -17.1462 -8.9679 -8.9679 -7.9370 -7.9370 -7.7316 -7.7316 -7.6795 -7.6795 -7.5052 -7.5052 -7.4738 -7.4738 -6.0382 -6.0382 -5.1291 -5.1291 0.0530 0.0530 0.3417 0.3417 0.4870 0.4870 0.6848 0.6848 1.1453 1.1453 1.4254 1.4254 1.8774 1.8774 2.0338 2.0338 2.1486 2.1486 2.4036 2.4036 2.4858 2.4858 2.7039 2.7039 2.9845 2.9845 3.1537 3.1537 3.2037 3.2037 3.3862 3.3862 3.8174 3.8174 3.8808 3.8808 5.6766 5.6766 6.6034 6.6034 7.1072 7.1072 7.3330 7.3330 7.8610 7.8610 8.1073 8.1073 9.8254 9.8254 k = 0.1264 0.2190-0.0000 ( 11735 PWs) bands (ev): -20.1410 -20.1410 -20.1390 -20.1390 -20.1379 -20.1379 -20.1371 -20.1371 -17.1724 -17.1724 -17.1686 -17.1686 -17.1671 -17.1671 -17.1628 -17.1628 -17.1503 -17.1503 -17.1461 -17.1461 -8.9861 -8.9861 -7.8984 -7.8984 -7.7238 -7.7238 -7.6820 -7.6820 -7.5032 -7.5032 -7.4770 -7.4770 -6.0764 -6.0764 -5.1200 -5.1200 0.0519 0.0519 0.3561 0.3561 0.4805 0.4805 0.7153 0.7153 1.1472 1.1472 1.4283 1.4283 1.8552 1.8552 2.0361 2.0361 2.1238 2.1238 2.4028 2.4028 2.4759 2.4759 2.6891 2.6891 2.9759 2.9759 3.1490 3.1490 3.2223 3.2223 3.3689 3.3689 3.8169 3.8169 3.8811 3.8811 5.6690 5.6690 6.6588 6.6588 7.1057 7.1057 7.3330 7.3330 7.9097 7.9097 8.1380 8.1380 9.8012 9.8012 k = 0.1149 0.1991-0.0000 ( 11715 PWs) bands (ev): -20.1410 -20.1410 -20.1389 -20.1389 -20.1379 -20.1379 -20.1371 -20.1371 -17.1723 -17.1723 -17.1684 -17.1684 -17.1673 -17.1673 -17.1629 -17.1629 -17.1504 -17.1504 -17.1461 -17.1461 -9.0029 -9.0029 -7.8608 -7.8608 -7.7198 -7.7198 -7.6807 -7.6807 -7.5016 -7.5016 -7.4803 -7.4803 -6.1136 -6.1136 -5.1119 -5.1119 0.0513 0.0513 0.3714 0.3714 0.4751 0.4751 0.7448 0.7448 1.1455 1.1455 1.4327 1.4327 1.8266 1.8266 2.0430 2.0430 2.1039 2.1039 2.3906 2.3906 2.4762 2.4762 2.6723 2.6723 2.9711 2.9711 3.1442 3.1442 3.2306 3.2306 3.3652 3.3652 3.8144 3.8144 3.8804 3.8804 5.6609 5.6609 6.7117 6.7117 7.1002 7.1002 7.3358 7.3358 7.9577 7.9577 8.1682 8.1682 9.7599 9.7599 k = 0.1034 0.1792-0.0000 ( 11719 PWs) bands (ev): -20.1410 -20.1410 -20.1388 -20.1388 -20.1380 -20.1380 -20.1371 -20.1371 -17.1721 -17.1721 -17.1682 -17.1682 -17.1676 -17.1676 -17.1630 -17.1630 -17.1505 -17.1505 -17.1460 -17.1460 -9.0183 -9.0183 -7.8243 -7.8243 -7.7198 -7.7198 -7.6753 -7.6753 -7.5005 -7.5005 -7.4837 -7.4837 -6.1495 -6.1495 -5.1047 -5.1047 0.0512 0.0512 0.3871 0.3871 0.4708 0.4708 0.7729 0.7729 1.1404 1.1404 1.4381 1.4381 1.7940 1.7940 2.0530 2.0530 2.0894 2.0894 2.3729 2.3729 2.4804 2.4804 2.6536 2.6536 2.9702 2.9702 3.1392 3.1392 3.2253 3.2253 3.3783 3.3783 3.8103 3.8103 3.8789 3.8789 5.6523 5.6523 6.7616 6.7616 7.0910 7.0910 7.3416 7.3416 8.0040 8.0040 8.1980 8.1980 9.7122 9.7122 k = 0.0920 0.1593-0.0000 ( 11715 PWs) bands (ev): -20.1410 -20.1410 -20.1388 -20.1388 -20.1380 -20.1380 -20.1371 -20.1371 -17.1720 -17.1720 -17.1680 -17.1680 -17.1677 -17.1677 -17.1631 -17.1631 -17.1506 -17.1506 -17.1459 -17.1459 -9.0321 -9.0321 -7.7894 -7.7894 -7.7221 -7.7221 -7.6675 -7.6675 -7.4999 -7.4999 -7.4872 -7.4872 -6.1836 -6.1836 -5.0985 -5.0985 0.0514 0.0514 0.4030 0.4030 0.4679 0.4679 0.7991 0.7991 1.1326 1.1326 1.4443 1.4443 1.7594 1.7594 2.0639 2.0639 2.0818 2.0818 2.3536 2.3536 2.4837 2.4837 2.6337 2.6337 2.9722 2.9722 3.1331 3.1331 3.2126 3.2126 3.4028 3.4028 3.8047 3.8047 3.8765 3.8765 5.6431 5.6431 6.8080 6.8080 7.0791 7.0791 7.3500 7.3500 8.0471 8.0471 8.2273 8.2273 9.6632 9.6632 k = 0.0805 0.1394-0.0000 ( 11695 PWs) bands (ev): -20.1410 -20.1410 -20.1387 -20.1387 -20.1380 -20.1380 -20.1371 -20.1371 -17.1718 -17.1718 -17.1681 -17.1681 -17.1676 -17.1676 -17.1632 -17.1632 -17.1507 -17.1507 -17.1459 -17.1459 -9.0444 -9.0444 -7.7566 -7.7566 -7.7252 -7.7252 -7.6589 -7.6589 -7.4999 -7.4999 -7.4906 -7.4906 -6.2154 -6.2154 -5.0932 -5.0932 0.0518 0.0518 0.4182 0.4182 0.4671 0.4671 0.8228 0.8228 1.1228 1.1228 1.4509 1.4509 1.7244 1.7244 2.0690 2.0690 2.0873 2.0873 2.3341 2.3341 2.4839 2.4839 2.6144 2.6144 2.9758 2.9758 3.1243 3.1243 3.2009 3.2009 3.4322 3.4322 3.7981 3.7981 3.8733 3.8733 5.6335 5.6335 6.8505 6.8505 7.0658 7.0658 7.3602 7.3602 8.0860 8.0860 8.2559 8.2559 9.6159 9.6159 k = 0.0690 0.1195-0.0000 ( 11695 PWs) bands (ev): -20.1410 -20.1410 -20.1387 -20.1387 -20.1380 -20.1380 -20.1371 -20.1371 -17.1716 -17.1716 -17.1684 -17.1684 -17.1674 -17.1674 -17.1633 -17.1633 -17.1508 -17.1508 -17.1459 -17.1459 -9.0551 -9.0551 -7.7310 -7.7310 -7.7238 -7.7238 -7.6501 -7.6501 -7.5006 -7.5006 -7.4938 -7.4938 -6.2446 -6.2446 -5.0887 -5.0887 0.0523 0.0523 0.4309 0.4309 0.4694 0.4694 0.8434 0.8434 1.1119 1.1119 1.4580 1.4580 1.6899 1.6899 2.0711 2.0711 2.1025 2.1025 2.3146 2.3146 2.4792 2.4792 2.5977 2.5977 2.9794 2.9794 3.1119 3.1119 3.1945 3.1945 3.4628 3.4628 3.7908 3.7908 3.8696 3.8696 5.6237 5.6237 6.8886 6.8886 7.0520 7.0520 7.3713 7.3713 8.1198 8.1198 8.2834 8.2834 9.5720 9.5720 k = 0.0575 0.0995-0.0000 ( 11709 PWs) bands (ev): -20.1411 -20.1411 -20.1386 -20.1386 -20.1381 -20.1381 -20.1371 -20.1371 -17.1714 -17.1714 -17.1686 -17.1686 -17.1672 -17.1672 -17.1634 -17.1634 -17.1509 -17.1509 -17.1458 -17.1458 -9.0642 -9.0642 -7.7324 -7.7324 -7.6982 -7.6982 -7.6416 -7.6416 -7.5023 -7.5023 -7.4966 -7.4966 -6.2705 -6.2705 -5.0850 -5.0850 0.0528 0.0528 0.4392 0.4392 0.4764 0.4764 0.8601 0.8601 1.1013 1.1013 1.4656 1.4656 1.6568 1.6568 2.0762 2.0762 2.1203 2.1203 2.2954 2.2954 2.4688 2.4688 2.5856 2.5856 2.9817 2.9817 3.0978 3.0978 3.1935 3.1935 3.4924 3.4924 3.7834 3.7834 3.8654 3.8654 5.6142 5.6142 6.9215 6.9215 7.0391 7.0391 7.3824 7.3824 8.1480 8.1480 8.3094 8.3094 9.5327 9.5327 k = 0.0460 0.0796-0.0000 ( 11727 PWs) bands (ev): -20.1411 -20.1411 -20.1386 -20.1386 -20.1381 -20.1381 -20.1371 -20.1371 -17.1712 -17.1712 -17.1689 -17.1689 -17.1671 -17.1671 -17.1635 -17.1635 -17.1509 -17.1509 -17.1458 -17.1458 -9.0717 -9.0717 -7.7350 -7.7350 -7.6749 -7.6749 -7.6334 -7.6334 -7.5047 -7.5047 -7.4990 -7.4990 -6.2926 -6.2926 -5.0820 -5.0820 0.0534 0.0534 0.4431 0.4431 0.4871 0.4871 0.8726 0.8726 1.0921 1.0921 1.4741 1.4741 1.6255 1.6255 2.0847 2.0847 2.1391 2.1391 2.2765 2.2765 2.4532 2.4532 2.5785 2.5785 2.9819 2.9819 3.0847 3.0847 3.1961 3.1961 3.5195 3.5195 3.7762 3.7762 3.8609 3.8609 5.6054 5.6054 6.9489 6.9489 7.0278 7.0278 7.3928 7.3928 8.1705 8.1705 8.3328 8.3328 9.4991 9.4991 k = 0.0345 0.0597-0.0000 ( 11737 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1710 -17.1710 -17.1692 -17.1692 -17.1669 -17.1669 -17.1636 -17.1636 -17.1509 -17.1509 -17.1458 -17.1458 -9.0775 -9.0775 -7.7372 -7.7372 -7.6564 -7.6564 -7.6257 -7.6257 -7.5073 -7.5073 -7.5011 -7.5011 -6.3104 -6.3104 -5.0797 -5.0797 0.0538 0.0538 0.4447 0.4447 0.4985 0.4985 0.8808 0.8808 1.0851 1.0851 1.4840 1.4840 1.5966 1.5966 2.0954 2.0954 2.1575 2.1575 2.2585 2.2585 2.4351 2.4351 2.5752 2.5752 2.9800 2.9800 3.0746 3.0746 3.2002 3.2002 3.5426 3.5426 3.7698 3.7698 3.8566 3.8566 5.5979 5.5979 6.9698 6.9698 7.0193 7.0193 7.4017 7.4017 8.1876 8.1876 8.3524 8.3524 9.4720 9.4720 k = 0.0230 0.0398-0.0000 ( 11741 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1708 -17.1708 -17.1694 -17.1694 -17.1668 -17.1668 -17.1637 -17.1637 -17.1510 -17.1510 -17.1458 -17.1458 -9.0817 -9.0817 -7.7387 -7.7387 -7.6438 -7.6438 -7.6183 -7.6183 -7.5098 -7.5098 -7.5029 -7.5029 -6.3235 -6.3235 -5.0781 -5.0781 0.0541 0.0541 0.4454 0.4454 0.5081 0.5081 0.8854 0.8854 1.0805 1.0805 1.4958 1.4958 1.5704 1.5704 2.1067 2.1067 2.1738 2.1738 2.2424 2.2424 2.4179 2.4179 2.5741 2.5741 2.9769 2.9769 3.0679 3.0679 3.2042 3.2042 3.5604 3.5604 3.7647 3.7647 3.8529 3.8529 5.5920 5.5920 6.9833 6.9833 7.0146 7.0146 7.4085 7.4085 8.1994 8.1994 8.3673 8.3673 9.4522 9.4522 k = 0.0115 0.0199-0.0000 ( 11737 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1706 -17.1706 -17.1696 -17.1696 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1458 -17.1458 -9.0842 -9.0842 -7.7397 -7.7397 -7.6369 -7.6369 -7.6125 -7.6125 -7.5115 -7.5115 -7.5041 -7.5041 -6.3315 -6.3315 -5.0771 -5.0771 0.0543 0.0543 0.4457 0.4457 0.5146 0.5146 0.8873 0.8873 1.0782 1.0782 1.5100 1.5100 1.5472 1.5472 2.1160 2.1160 2.1855 2.1855 2.2305 2.2305 2.4052 2.4052 2.5739 2.5739 2.9743 2.9743 3.0643 3.0643 3.2071 3.2071 3.5717 3.5717 3.7615 3.7615 3.8504 3.8504 5.5884 5.5884 6.9891 6.9891 7.0140 7.0140 7.4129 7.4129 8.2064 8.2064 8.3766 8.3766 9.4400 9.4400 k = 0.0000 0.0000 0.0000 ( 11729 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0851 -9.0851 -7.7401 -7.7401 -7.6348 -7.6348 -7.6102 -7.6102 -7.5122 -7.5122 -7.5046 -7.5046 -6.3342 -6.3342 -5.0768 -5.0768 0.0544 0.0544 0.4458 0.4458 0.5168 0.5168 0.8879 0.8879 1.0774 1.0774 1.5269 1.5269 1.5273 1.5273 2.1197 2.1197 2.1900 2.1900 2.2258 2.2258 2.4005 2.4005 2.5740 2.5740 2.9732 2.9732 3.0631 3.0631 3.2081 3.2081 3.5756 3.5756 3.7603 3.7603 3.8495 3.8495 5.5871 5.5871 6.9902 6.9902 7.0146 7.0146 7.4143 7.4143 8.2087 8.2087 8.3798 8.3798 9.4360 9.4360 k = 0.0000 0.0000 0.0000 ( 11729 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0851 -9.0851 -7.7401 -7.7401 -7.6348 -7.6348 -7.6102 -7.6102 -7.5122 -7.5122 -7.5046 -7.5046 -6.3342 -6.3342 -5.0768 -5.0768 0.0544 0.0544 0.4458 0.4458 0.5168 0.5168 0.8879 0.8879 1.0774 1.0774 1.5269 1.5269 1.5273 1.5273 2.1197 2.1197 2.1900 2.1900 2.2258 2.2258 2.4005 2.4005 2.5740 2.5740 2.9732 2.9732 3.0631 3.0631 3.2081 3.2081 3.5756 3.5756 3.7603 3.7603 3.8495 3.8495 5.5871 5.5871 6.9902 6.9902 7.0146 7.0146 7.4143 7.4143 8.2087 8.2087 8.3798 8.3798 9.4360 9.4360 k = 0.0000 0.0000 0.0234 ( 11711 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0846 -9.0846 -7.7412 -7.7412 -7.6347 -7.6347 -7.6102 -7.6102 -7.5122 -7.5122 -7.5046 -7.5046 -6.3342 -6.3342 -5.0757 -5.0757 0.0530 0.0530 0.4432 0.4432 0.5150 0.5150 0.8859 0.8859 1.0759 1.0759 1.5238 1.5238 1.5289 1.5289 2.1230 2.1230 2.1878 2.1878 2.2351 2.2351 2.4037 2.4037 2.5762 2.5762 2.9736 2.9736 3.0652 3.0652 3.2087 3.2087 3.5754 3.5754 3.7606 3.7606 3.8488 3.8488 5.5853 5.5853 6.9884 6.9884 7.0104 7.0104 7.4120 7.4120 8.2030 8.2030 8.3762 8.3762 9.4398 9.4398 k = 0.0000 0.0000 0.0468 ( 11729 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0833 -9.0833 -7.7444 -7.7444 -7.6347 -7.6347 -7.6101 -7.6101 -7.5122 -7.5122 -7.5046 -7.5046 -6.3341 -6.3341 -5.0725 -5.0725 0.0487 0.0487 0.4356 0.4356 0.5098 0.5098 0.8799 0.8799 1.0713 1.0713 1.5149 1.5149 1.5335 1.5335 2.1328 2.1328 2.1869 2.1869 2.2571 2.2571 2.4131 2.4131 2.5829 2.5829 2.9749 2.9749 3.0714 3.0714 3.2105 3.2105 3.5749 3.5749 3.7615 3.7615 3.8467 3.8467 5.5800 5.5800 6.9825 6.9825 6.9982 6.9982 7.4049 7.4049 8.1859 8.1859 8.3655 8.3655 9.4513 9.4513 k = 0.0000 0.0000 0.0702 ( 11747 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0810 -9.0810 -7.7498 -7.7498 -7.6345 -7.6345 -7.6099 -7.6099 -7.5122 -7.5122 -7.5045 -7.5045 -6.3340 -6.3340 -5.0671 -5.0671 0.0417 0.0417 0.4234 0.4234 0.5013 0.5013 0.8703 0.8703 1.0637 1.0637 1.5004 1.5004 1.5411 1.5411 2.1490 2.1490 2.1919 2.1919 2.2868 2.2868 2.4280 2.4280 2.5936 2.5936 2.9772 2.9772 3.0815 3.0815 3.2135 3.2135 3.5740 3.5740 3.7629 3.7629 3.8436 3.8436 5.5713 5.5713 6.9701 6.9701 6.9809 6.9809 7.3932 7.3932 8.1581 8.1581 8.3479 8.3479 9.4702 9.4702 k = 0.0000 0.0000 0.0936 ( 11776 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0780 -9.0780 -7.7572 -7.7572 -7.6343 -7.6343 -7.6097 -7.6097 -7.5121 -7.5121 -7.5045 -7.5045 -6.3338 -6.3338 -5.0599 -5.0599 0.0321 0.0321 0.4070 0.4070 0.4899 0.4899 0.8574 0.8574 1.0532 1.0532 1.4810 1.4810 1.5517 1.5517 2.1714 2.1714 2.2040 2.2040 2.3220 2.3220 2.4475 2.4475 2.6079 2.6079 2.9805 2.9805 3.0948 3.0948 3.2180 3.2180 3.5728 3.5728 3.7649 3.7649 3.8400 3.8400 5.5592 5.5592 6.9441 6.9441 6.9659 6.9659 7.3771 7.3771 8.1201 8.1201 8.3239 8.3239 9.4960 9.4960 k = 0.0000 0.0000 0.1170 ( 11776 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0741 -9.0741 -7.7665 -7.7665 -7.6341 -7.6341 -7.6095 -7.6095 -7.5121 -7.5121 -7.5044 -7.5044 -6.3335 -6.3335 -5.0507 -5.0507 0.0203 0.0203 0.3873 0.3873 0.4760 0.4760 0.8415 0.8415 1.0400 1.0400 1.4573 1.4573 1.5653 1.5653 2.1993 2.1993 2.2233 2.2233 2.3616 2.3616 2.4704 2.4704 2.6251 2.6251 2.9853 2.9853 3.1100 3.1100 3.2247 3.2247 3.5713 3.5713 3.7672 3.7672 3.8363 3.8363 5.5438 5.5438 6.9080 6.9080 6.9507 6.9507 7.3570 7.3570 8.0732 8.0732 8.2941 8.2941 9.5283 9.5283 k = 0.0000 0.0000 0.1404 ( 11782 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0694 -9.0694 -7.7775 -7.7775 -7.6338 -7.6338 -7.6092 -7.6092 -7.5121 -7.5121 -7.5044 -7.5044 -6.3332 -6.3332 -5.0400 -5.0400 0.0065 0.0065 0.3648 0.3648 0.4600 0.4600 0.8233 0.8233 1.0244 1.0244 1.4303 1.4303 1.5816 1.5816 2.2319 2.2319 2.2493 2.2493 2.4046 2.4046 2.4958 2.4958 2.6444 2.6444 2.9922 2.9922 3.1249 3.1249 3.2350 3.2350 3.5696 3.5696 3.7700 3.7700 3.8334 3.8334 5.5252 5.5252 6.8644 6.8644 6.9331 6.9331 7.3331 7.3331 8.0184 8.0184 8.2590 8.2590 9.5664 9.5664 k = 0.0000 0.0000 0.1638 ( 11782 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0640 -9.0640 -7.7901 -7.7901 -7.6334 -7.6334 -7.6088 -7.6088 -7.5120 -7.5120 -7.5043 -7.5043 -6.3328 -6.3328 -5.0278 -5.0278 -0.0089 -0.0089 0.3404 0.3404 0.4425 0.4425 0.8033 0.8033 1.0069 1.0069 1.4007 1.4007 1.6007 1.6007 2.2678 2.2678 2.2814 2.2814 2.4503 2.4503 2.5227 2.5227 2.6648 2.6648 3.0017 3.0017 3.1366 3.1366 3.2510 3.2510 3.5678 3.5678 3.7731 3.7731 3.8320 3.8320 5.5038 5.5038 6.8144 6.8144 6.9134 6.9134 7.3058 7.3058 7.9570 7.9570 8.2196 8.2196 9.6094 9.6094 k = 0.0000 0.0000 0.1872 ( 11776 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0580 -9.0580 -7.8039 -7.8039 -7.6330 -7.6330 -7.6084 -7.6084 -7.5120 -7.5120 -7.5042 -7.5042 -6.3324 -6.3324 -5.0145 -5.0145 -0.0256 -0.0256 0.3146 0.3146 0.4239 0.4239 0.7819 0.7819 0.9877 0.9877 1.3695 1.3695 1.6224 1.6224 2.3055 2.3055 2.3187 2.3187 2.4978 2.4978 2.5508 2.5508 2.6856 2.6856 3.0143 3.0143 3.1430 3.1430 3.2739 3.2739 3.5658 3.5658 3.7764 3.7764 3.8328 3.8328 5.4796 5.4796 6.7588 6.7588 6.8916 6.8916 7.2757 7.2757 7.8903 7.8903 8.1766 8.1766 9.6563 9.6563 k = 0.0000 0.0000 0.2106 ( 11752 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0515 -9.0515 -7.8187 -7.8187 -7.6326 -7.6326 -7.6080 -7.6080 -7.5119 -7.5119 -7.5041 -7.5041 -6.3320 -6.3320 -5.0002 -5.0002 -0.0431 -0.0431 0.2882 0.2882 0.4046 0.4046 0.7597 0.7597 0.9676 0.9676 1.3375 1.3375 1.6466 1.6466 2.3429 2.3429 2.3601 2.3601 2.5466 2.5466 2.5798 2.5798 2.7061 2.7061 3.0303 3.0303 3.1441 3.1441 3.3033 3.3033 3.5638 3.5638 3.7798 3.7798 3.8364 3.8364 5.4530 5.4530 6.6985 6.6985 6.8682 6.8682 7.2433 7.2433 7.8198 7.8198 8.1308 8.1308 9.7062 9.7062 k = 0.0000 0.0000 0.2340 ( 11716 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0444 -9.0444 -7.8344 -7.8344 -7.6322 -7.6322 -7.6076 -7.6076 -7.5118 -7.5118 -7.5041 -7.5041 -6.3315 -6.3315 -4.9853 -4.9853 -0.0611 -0.0611 0.2617 0.2617 0.3851 0.3851 0.7372 0.7372 0.9469 0.9469 1.3052 1.3052 1.6732 1.6732 2.3774 2.3774 2.4048 2.4048 2.5958 2.5958 2.6102 2.6102 2.7262 2.7262 3.0489 3.0489 3.1416 3.1416 3.3378 3.3378 3.5617 3.5617 3.7833 3.7833 3.8431 3.8431 5.4242 5.4242 6.6345 6.6345 6.8436 6.8436 7.2092 7.2092 7.7467 7.7467 8.0831 8.0831 9.7577 9.7577 k = 0.0000 0.0000 0.2573 ( 11716 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0370 -9.0370 -7.8505 -7.8505 -7.6317 -7.6317 -7.6071 -7.6071 -7.5118 -7.5118 -7.5040 -7.5040 -6.3311 -6.3311 -4.9700 -4.9700 -0.0793 -0.0793 0.2357 0.2357 0.3658 0.3658 0.7147 0.7147 0.9261 0.9261 1.2733 1.2733 1.7020 1.7020 2.4061 2.4061 2.4515 2.4515 2.6427 2.6427 2.6450 2.6450 2.7457 2.7457 3.0673 3.0673 3.1393 3.1393 3.3758 3.3758 3.5597 3.5597 3.7868 3.7868 3.8530 3.8530 5.3937 5.3937 6.5678 6.5678 6.8181 6.8181 7.1738 7.1738 7.6724 7.6724 8.0343 8.0343 9.8094 9.8094 k = 0.0000 0.0000 0.2807 ( 11722 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0294 -9.0294 -7.8669 -7.8669 -7.6313 -7.6313 -7.6067 -7.6067 -7.5117 -7.5117 -7.5039 -7.5039 -6.3306 -6.3306 -4.9547 -4.9547 -0.0973 -0.0973 0.2104 0.2104 0.3469 0.3469 0.6928 0.6928 0.9056 0.9056 1.2424 1.2424 1.7330 1.7330 2.4265 2.4265 2.4994 2.4994 2.6779 2.6779 2.6935 2.6935 2.7649 2.7649 3.0785 3.0785 3.1448 3.1448 3.4160 3.4160 3.5578 3.5578 3.7901 3.7901 3.8659 3.8659 5.3617 5.3617 6.4994 6.4994 6.7922 6.7922 7.1380 7.1380 7.5981 7.5981 7.9853 7.9853 9.8601 9.8601 k = 0.0000 0.0000 0.3041 ( 11734 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0217 -9.0217 -7.8832 -7.8832 -7.6309 -7.6309 -7.6062 -7.6062 -7.5116 -7.5116 -7.5038 -7.5038 -6.3301 -6.3301 -4.9395 -4.9395 -0.1147 -0.1147 0.1863 0.1863 0.3288 0.3288 0.6716 0.6716 0.8858 0.8858 1.2129 1.2129 1.7660 1.7660 2.4372 2.4372 2.5473 2.5473 2.7156 2.7156 2.7406 2.7406 2.7844 2.7844 3.0767 3.0767 3.1638 3.1638 3.4572 3.4572 3.5559 3.5559 3.7933 3.7933 3.8816 3.8816 5.3289 5.3289 6.4305 6.4305 6.7664 6.7664 7.1023 7.1023 7.5251 7.5251 7.9369 7.9369 9.9081 9.9081 k = 0.0000 0.0000 0.3275 ( 11722 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0140 -9.0140 -7.8991 -7.8991 -7.6304 -7.6304 -7.6058 -7.6058 -7.5115 -7.5115 -7.5037 -7.5037 -6.3297 -6.3297 -4.9249 -4.9249 -0.1313 -0.1313 0.1637 0.1637 0.3117 0.3117 0.6516 0.6516 0.8671 0.8671 1.1851 1.1851 1.8008 1.8008 2.4381 2.4381 2.5942 2.5942 2.7534 2.7534 2.7859 2.7859 2.8056 2.8056 3.0668 3.0668 3.1915 3.1915 3.4986 3.4986 3.5542 3.5542 3.7963 3.7963 3.8994 3.8994 5.2956 5.2956 6.3624 6.3624 6.7411 6.7411 7.0674 7.0674 7.4546 7.4546 7.8900 7.8900 9.9523 9.9523 k = 0.0000 0.0000 0.3509 ( 11716 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -9.0065 -9.0065 -7.9144 -7.9144 -7.6300 -7.6300 -7.6053 -7.6053 -7.5114 -7.5114 -7.5036 -7.5036 -6.3293 -6.3293 -4.9110 -4.9110 -0.1469 -0.1469 0.1429 0.1429 0.2958 0.2958 0.6330 0.6330 0.8496 0.8496 1.1595 1.1595 1.8375 1.8375 2.4300 2.4300 2.6393 2.6393 2.7866 2.7866 2.8287 2.8287 2.8314 2.8314 3.0540 3.0540 3.2223 3.2223 3.5393 3.5393 3.5526 3.5526 3.7989 3.7989 3.9187 3.9187 5.2626 5.2626 6.2961 6.2961 6.7168 6.7168 7.0340 7.0340 7.3877 7.3877 7.8454 7.8454 9.9915 9.9915 k = 0.0000 0.0000 0.3743 ( 11716 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9994 -8.9994 -7.9287 -7.9287 -7.6296 -7.6296 -7.6049 -7.6049 -7.5114 -7.5114 -7.5036 -7.5036 -6.3289 -6.3289 -4.8980 -4.8980 -0.1611 -0.1611 0.1241 0.1241 0.2813 0.2813 0.6160 0.6160 0.8337 0.8337 1.1363 1.1363 1.8757 1.8757 2.4143 2.4143 2.6815 2.6815 2.8109 2.8109 2.8642 2.8642 2.8685 2.8685 3.0406 3.0406 3.2534 3.2534 3.5511 3.5511 3.5783 3.5783 3.8013 3.8013 3.9386 3.9386 5.2305 5.2305 6.2331 6.2331 6.6940 6.6940 7.0026 7.0026 7.3255 7.3255 7.8038 7.8038 10.0251 10.0251 k = 0.0000 0.0000 0.3977 ( 11704 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9928 -8.9928 -7.9418 -7.9418 -7.6293 -7.6293 -7.6046 -7.6046 -7.5113 -7.5113 -7.5035 -7.5035 -6.3285 -6.3285 -4.8864 -4.8864 -0.1739 -0.1739 0.1074 0.1074 0.2685 0.2685 0.6009 0.6009 0.8196 0.8196 1.1157 1.1157 1.9152 1.9152 2.3921 2.3921 2.7200 2.7200 2.8285 2.8285 2.8999 2.8999 2.9047 2.9047 3.0279 3.0279 3.2833 3.2833 3.5498 3.5498 3.6148 3.6148 3.8032 3.8032 3.9583 3.9583 5.2001 5.2001 6.1746 6.1746 6.6731 6.6731 6.9740 6.9740 7.2691 7.2691 7.7660 7.7660 10.0527 10.0527 k = 0.0000 0.0000 0.4211 ( 11692 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9869 -8.9869 -7.9533 -7.9533 -7.6290 -7.6290 -7.6043 -7.6043 -7.5113 -7.5113 -7.5034 -7.5034 -6.3282 -6.3282 -4.8761 -4.8761 -0.1850 -0.1850 0.0931 0.0931 0.2574 0.2574 0.5878 0.5878 0.8074 0.8074 1.0979 1.0979 1.9559 1.9559 2.3645 2.3645 2.7539 2.7539 2.8423 2.8423 2.9337 2.9337 2.9367 2.9367 3.0169 3.0169 3.3106 3.3106 3.5487 3.5487 3.6479 3.6479 3.8049 3.8049 3.9770 3.9770 5.1722 5.1722 6.1221 6.1221 6.6545 6.6545 6.9488 6.9488 7.2195 7.2195 7.7327 7.7327 10.0747 10.0747 k = 0.0000 0.0000 0.4445 ( 11668 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9818 -8.9818 -7.9632 -7.9632 -7.6287 -7.6287 -7.6040 -7.6040 -7.5112 -7.5112 -7.5034 -7.5034 -6.3279 -6.3279 -4.8674 -4.8674 -0.1942 -0.1942 0.0812 0.0812 0.2482 0.2482 0.5769 0.5769 0.7972 0.7972 1.0832 1.0832 1.9975 1.9975 2.3327 2.3327 2.7827 2.7827 2.8533 2.8533 2.9624 2.9624 2.9640 2.9640 3.0087 3.0087 3.3343 3.3343 3.5478 3.5478 3.6766 3.6766 3.8061 3.8061 3.9938 3.9938 5.1478 5.1478 6.0768 6.0768 6.6388 6.6388 6.9274 6.9274 7.1774 7.1774 7.7045 7.7045 10.0914 10.0914 k = 0.0000 0.0000 0.4679 ( 11686 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9777 -8.9777 -7.9711 -7.9711 -7.6285 -7.6285 -7.6038 -7.6038 -7.5112 -7.5112 -7.5034 -7.5034 -6.3277 -6.3277 -4.8605 -4.8605 -0.2015 -0.2015 0.0718 0.0718 0.2409 0.2409 0.5682 0.5682 0.7892 0.7892 1.0716 1.0716 2.0394 2.0394 2.2977 2.2977 2.8056 2.8056 2.8620 2.8620 2.9805 2.9805 2.9858 2.9858 3.0075 3.0075 3.3537 3.3537 3.5470 3.5470 3.7001 3.7001 3.8071 3.8071 4.0079 4.0079 5.1275 5.1275 6.0401 6.0401 6.6261 6.6261 6.9103 6.9103 7.1438 7.1438 7.6820 7.6820 10.1035 10.1035 k = 0.0000 0.0000 0.4913 ( 11686 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9746 -8.9746 -7.9768 -7.9768 -7.6283 -7.6283 -7.6036 -7.6036 -7.5112 -7.5112 -7.5033 -7.5033 -6.3275 -6.3275 -4.8555 -4.8555 -0.2068 -0.2068 0.0651 0.0651 0.2357 0.2357 0.5620 0.5620 0.7834 0.7834 1.0632 1.0632 2.0808 2.0808 2.2608 2.2608 2.8223 2.8223 2.8683 2.8683 2.9835 2.9835 3.0019 3.0019 3.0170 3.0170 3.3681 3.3681 3.5465 3.5465 3.7176 3.7176 3.8077 3.8077 4.0185 4.0185 5.1124 5.1124 6.0129 6.0129 6.6168 6.6168 6.8978 6.8978 7.1193 7.1193 7.6655 7.6655 10.1116 10.1116 k = 0.0000 0.0000 0.5147 ( 11728 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9728 -8.9728 -7.9804 -7.9804 -7.6283 -7.6283 -7.6035 -7.6035 -7.5111 -7.5111 -7.5033 -7.5033 -6.3274 -6.3274 -4.8525 -4.8525 -0.2100 -0.2100 0.0610 0.0610 0.2325 0.2325 0.5583 0.5583 0.7799 0.7799 1.0582 1.0582 2.1194 2.1194 2.2248 2.2248 2.8325 2.8325 2.8722 2.8722 2.9819 2.9819 3.0117 3.0117 3.0264 3.0264 3.3769 3.3769 3.5462 3.5462 3.7283 3.7283 3.8081 3.8081 4.0252 4.0252 5.1030 5.1030 5.9963 5.9963 6.6112 6.6112 6.8902 6.8902 7.1044 7.1044 7.6555 7.6555 10.1163 10.1163 k = 0.0000 0.0000 0.5381 ( 11728 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9722 -8.9722 -7.9815 -7.9815 -7.6282 -7.6282 -7.6035 -7.6035 -7.5111 -7.5111 -7.5033 -7.5033 -6.3274 -6.3274 -4.8515 -4.8515 -0.2111 -0.2111 0.0597 0.0597 0.2314 0.2314 0.5570 0.5570 0.7787 0.7787 1.0565 1.0565 2.1414 2.1414 2.2037 2.2037 2.8359 2.8359 2.8735 2.8735 2.9811 2.9811 3.0150 3.0150 3.0298 3.0298 3.3799 3.3799 3.5461 3.5461 3.7320 3.7320 3.8082 3.8082 4.0274 4.0274 5.0999 5.0999 5.9906 5.9906 6.6093 6.6093 6.8877 6.8877 7.0993 7.0993 7.6522 7.6522 10.1178 10.1178 k = 0.0000 0.0000 0.5381 ( 11728 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9722 -8.9722 -7.9815 -7.9815 -7.6282 -7.6282 -7.6035 -7.6035 -7.5111 -7.5111 -7.5033 -7.5033 -6.3274 -6.3274 -4.8515 -4.8515 -0.2111 -0.2111 0.0597 0.0597 0.2314 0.2314 0.5570 0.5570 0.7787 0.7787 1.0565 1.0565 2.1414 2.1414 2.2037 2.2037 2.8359 2.8359 2.8735 2.8735 2.9811 2.9811 3.0150 3.0150 3.0298 3.0298 3.3799 3.3799 3.5461 3.5461 3.7320 3.7320 3.8082 3.8082 4.0274 4.0274 5.0999 5.0999 5.9906 5.9906 6.6093 6.6093 6.8877 6.8877 7.0993 7.0993 7.6522 7.6522 10.1178 10.1178 k = 0.0200 0.0115 0.5381 ( 11716 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1706 -17.1706 -17.1696 -17.1696 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9713 -8.9713 -7.9810 -7.9810 -7.6297 -7.6297 -7.6049 -7.6049 -7.5113 -7.5113 -7.5035 -7.5035 -6.3249 -6.3249 -4.8522 -4.8522 -0.2102 -0.2102 0.0605 0.0605 0.2297 0.2297 0.5592 0.5592 0.7811 0.7811 1.0583 1.0583 2.1411 2.1411 2.2040 2.2040 2.8315 2.8315 2.8732 2.8732 2.9752 2.9752 3.0074 3.0074 3.0405 3.0405 3.3788 3.3788 3.5449 3.5449 3.7306 3.7306 3.8046 3.8046 4.0260 4.0260 5.1056 5.1056 5.9913 5.9913 6.6133 6.6133 6.8900 6.8900 7.1011 7.1011 7.6522 7.6522 10.1215 10.1215 k = 0.0400 0.0231 0.5381 ( 11708 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1708 -17.1708 -17.1694 -17.1694 -17.1668 -17.1668 -17.1637 -17.1637 -17.1510 -17.1510 -17.1457 -17.1457 -8.9689 -8.9689 -7.9795 -7.9795 -7.6345 -7.6345 -7.6087 -7.6087 -7.5119 -7.5119 -7.5042 -7.5042 -6.3173 -6.3173 -4.8545 -4.8545 -0.2078 -0.2078 0.0628 0.0628 0.2250 0.2250 0.5657 0.5657 0.7883 0.7883 1.0637 1.0637 2.1399 2.1399 2.2048 2.2048 2.8192 2.8192 2.8714 2.8714 2.9585 2.9585 3.0009 3.0009 3.0554 3.0554 3.3756 3.3756 3.5415 3.5415 3.7264 3.7264 3.7941 3.7941 4.0221 4.0221 5.1224 5.1224 5.9933 5.9933 6.6250 6.6250 6.8971 6.8971 7.1062 7.1062 7.6521 7.6521 10.1325 10.1325 k = 0.0600 0.0346 0.5381 ( 11708 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1710 -17.1710 -17.1692 -17.1692 -17.1669 -17.1669 -17.1637 -17.1637 -17.1509 -17.1509 -17.1458 -17.1458 -8.9649 -8.9649 -7.9770 -7.9770 -7.6440 -7.6440 -7.6132 -7.6132 -7.5130 -7.5130 -7.5054 -7.5054 -6.3049 -6.3049 -4.8582 -4.8582 -0.2038 -0.2038 0.0667 0.0667 0.2183 0.2183 0.5756 0.5756 0.8000 0.8000 1.0727 1.0727 2.1376 2.1376 2.2063 2.2063 2.8005 2.8005 2.8666 2.8666 2.9362 2.9362 2.9967 2.9967 3.0690 3.0690 3.3704 3.3704 3.5358 3.5358 3.7187 3.7187 3.7781 3.7781 4.0162 4.0162 5.1490 5.1490 5.9967 5.9967 6.6443 6.6443 6.9090 6.9090 7.1147 7.1147 7.6519 7.6519 10.1504 10.1504 k = 0.0800 0.0462 0.5381 ( 11720 PWs) bands (ev): -20.1411 -20.1411 -20.1386 -20.1386 -20.1381 -20.1381 -20.1371 -20.1371 -17.1712 -17.1712 -17.1689 -17.1689 -17.1671 -17.1671 -17.1636 -17.1636 -17.1509 -17.1509 -17.1458 -17.1458 -8.9592 -8.9592 -7.9736 -7.9736 -7.6586 -7.6586 -7.6176 -7.6176 -7.5145 -7.5145 -7.5071 -7.5071 -6.2880 -6.2880 -4.8635 -4.8635 -0.1988 -0.1988 0.0721 0.0721 0.2109 0.2109 0.5880 0.5880 0.8161 0.8161 1.0851 1.0851 2.1334 2.1334 2.2084 2.2084 2.7764 2.7764 2.8576 2.8576 2.9128 2.9128 2.9923 2.9923 3.0804 3.0804 3.3634 3.3634 3.5278 3.5278 3.7062 3.7062 3.7592 3.7592 4.0089 4.0089 5.1836 5.1836 6.0013 6.0013 6.6702 6.6702 6.9257 6.9257 7.1264 7.1264 7.6518 7.6518 10.1744 10.1744 k = 0.1000 0.0577 0.5381 ( 11732 PWs) bands (ev): -20.1411 -20.1411 -20.1386 -20.1386 -20.1380 -20.1380 -20.1371 -20.1371 -17.1714 -17.1714 -17.1686 -17.1686 -17.1672 -17.1672 -17.1635 -17.1635 -17.1508 -17.1508 -17.1458 -17.1458 -8.9520 -8.9520 -7.9691 -7.9691 -7.6780 -7.6780 -7.6218 -7.6218 -7.5166 -7.5166 -7.5092 -7.5092 -6.2670 -6.2670 -4.8702 -4.8702 -0.1929 -0.1929 0.0785 0.0785 0.2046 0.2046 0.6022 0.6022 0.8360 0.8360 1.1007 1.1007 2.1265 2.1265 2.2112 2.2112 2.7476 2.7476 2.8431 2.8431 2.8910 2.8910 2.9868 2.9868 3.0897 3.0897 3.3548 3.3548 3.5176 3.5176 3.6866 3.6866 3.7416 3.7416 4.0003 4.0003 5.2241 5.2241 6.0071 6.0071 6.7021 6.7021 6.9475 6.9475 7.1410 7.1410 7.6516 7.6516 10.2034 10.2034 k = 0.1200 0.0693 0.5381 ( 11728 PWs) bands (ev): -20.1410 -20.1410 -20.1387 -20.1387 -20.1380 -20.1380 -20.1371 -20.1371 -17.1716 -17.1716 -17.1684 -17.1684 -17.1674 -17.1674 -17.1633 -17.1633 -17.1508 -17.1508 -17.1458 -17.1458 -8.9432 -8.9432 -7.9637 -7.9637 -7.7014 -7.7014 -7.6260 -7.6260 -7.5194 -7.5194 -7.5117 -7.5117 -6.2422 -6.2422 -4.8784 -4.8784 -0.1867 -0.1867 0.0854 0.0854 0.2014 0.2014 0.6173 0.6173 0.8594 0.8594 1.1194 1.1194 2.1157 2.1157 2.2149 2.2149 2.7151 2.7151 2.8232 2.8232 2.8723 2.8723 2.9799 2.9799 3.0969 3.0969 3.3445 3.3445 3.5055 3.5055 3.6600 3.6600 3.7272 3.7272 3.9905 3.9905 5.2686 5.2686 6.0140 6.0140 6.7389 6.7389 6.9743 6.9743 7.1582 7.1582 7.6515 7.6515 10.2357 10.2357 k = 0.1400 0.0808 0.5381 ( 11724 PWs) bands (ev): -20.1410 -20.1410 -20.1387 -20.1387 -20.1380 -20.1380 -20.1371 -20.1371 -17.1718 -17.1718 -17.1682 -17.1682 -17.1676 -17.1676 -17.1632 -17.1632 -17.1507 -17.1507 -17.1459 -17.1459 -8.9329 -8.9329 -7.9574 -7.9574 -7.7281 -7.7281 -7.6303 -7.6303 -7.5228 -7.5228 -7.5146 -7.5146 -6.2143 -6.2143 -4.8881 -4.8881 -0.1807 -0.1807 0.0920 0.0920 0.2035 0.2035 0.6330 0.6330 0.8853 0.8853 1.1409 1.1409 2.0999 2.0999 2.2194 2.2194 2.6795 2.6795 2.8000 2.8000 2.8559 2.8559 2.9714 2.9714 3.1022 3.1022 3.3327 3.3327 3.4916 3.4916 3.6293 3.6293 3.7150 3.7150 3.9795 3.9795 5.3154 5.3154 6.0218 6.0218 6.7794 6.7794 7.0063 7.0063 7.1778 7.1778 7.6515 7.6515 10.2685 10.2685 k = 0.1600 0.0924 0.5381 ( 11724 PWs) bands (ev): -20.1410 -20.1410 -20.1388 -20.1388 -20.1380 -20.1380 -20.1371 -20.1371 -17.1720 -17.1720 -17.1682 -17.1682 -17.1675 -17.1675 -17.1631 -17.1631 -17.1506 -17.1506 -17.1459 -17.1459 -8.9210 -8.9210 -7.9502 -7.9502 -7.7576 -7.7576 -7.6348 -7.6348 -7.5269 -7.5269 -7.5178 -7.5178 -6.1836 -6.1836 -4.8992 -4.8992 -0.1755 -0.1755 0.0978 0.0978 0.2124 0.2124 0.6489 0.6489 0.9132 0.9132 1.1649 1.1649 2.0782 2.0782 2.2245 2.2245 2.6419 2.6419 2.7760 2.7760 2.8403 2.8403 2.9615 2.9615 3.1061 3.1061 3.3191 3.3191 3.4764 3.4764 3.5976 3.5976 3.7035 3.7035 3.9673 3.9673 5.3630 5.3630 6.0304 6.0304 6.8223 6.8223 7.0432 7.0432 7.1991 7.1991 7.6517 7.6517 10.2973 10.2973 k = 0.1800 0.1039 0.5381 ( 11740 PWs) bands (ev): -20.1410 -20.1410 -20.1388 -20.1388 -20.1379 -20.1379 -20.1371 -20.1371 -17.1721 -17.1721 -17.1684 -17.1684 -17.1673 -17.1673 -17.1630 -17.1630 -17.1505 -17.1505 -17.1460 -17.1460 -8.9077 -8.9077 -7.9421 -7.9421 -7.7894 -7.7894 -7.6394 -7.6394 -7.5319 -7.5319 -7.5212 -7.5212 -6.1507 -6.1507 -4.9117 -4.9117 -0.1715 -0.1715 0.1031 0.1031 0.2287 0.2287 0.6648 0.6648 0.9422 0.9422 1.1910 1.1910 2.0500 2.0500 2.2297 2.2297 2.6032 2.6032 2.7529 2.7529 2.8248 2.8248 2.9503 2.9503 3.1086 3.1086 3.3035 3.3035 3.4604 3.4604 3.5669 3.5669 3.6919 3.6919 3.9541 3.9541 5.4102 5.4102 6.0396 6.0396 6.8667 6.8667 7.0848 7.0848 7.2219 7.2219 7.6523 7.6523 10.3140 10.3140 k = 0.2000 0.1155 0.5381 ( 11748 PWs) bands (ev): -20.1410 -20.1410 -20.1389 -20.1389 -20.1379 -20.1379 -20.1371 -20.1371 -17.1723 -17.1723 -17.1686 -17.1686 -17.1671 -17.1671 -17.1630 -17.1630 -17.1504 -17.1504 -17.1460 -17.1460 -8.8929 -8.8929 -7.9333 -7.9333 -7.8229 -7.8229 -7.6442 -7.6442 -7.5377 -7.5377 -7.5248 -7.5248 -6.1159 -6.1159 -4.9256 -4.9256 -0.1693 -0.1693 0.1095 0.1095 0.2517 0.2517 0.6805 0.6805 0.9716 0.9716 1.2187 1.2187 2.0152 2.0152 2.2345 2.2345 2.5645 2.5645 2.7315 2.7315 2.8092 2.8092 2.9382 2.9382 3.1103 3.1103 3.2857 3.2857 3.4445 3.4445 3.5383 3.5383 3.6799 3.6799 3.9400 3.9400 5.4558 5.4558 6.0493 6.0493 6.9115 6.9115 7.1301 7.1301 7.2457 7.2457 7.6536 7.6536 10.3082 10.3082 k = 0.2200 0.1270 0.5381 ( 11756 PWs) bands (ev): -20.1410 -20.1410 -20.1390 -20.1390 -20.1379 -20.1379 -20.1371 -20.1371 -17.1724 -17.1724 -17.1689 -17.1689 -17.1668 -17.1668 -17.1629 -17.1629 -17.1503 -17.1503 -17.1461 -17.1461 -8.8768 -8.8768 -7.9237 -7.9237 -7.8579 -7.8579 -7.6491 -7.6491 -7.5442 -7.5442 -7.5284 -7.5284 -6.0796 -6.0796 -4.9408 -4.9408 -0.1691 -0.1691 0.1181 0.1181 0.2804 0.2804 0.6959 0.6959 1.0007 1.0007 1.2475 1.2475 1.9744 1.9744 2.2377 2.2377 2.5270 2.5270 2.7118 2.7118 2.7936 2.7936 2.9260 2.9260 3.1111 3.1111 3.2658 3.2658 3.4295 3.4295 3.5121 3.5121 3.6674 3.6674 3.9254 3.9254 5.4993 5.4993 6.0591 6.0591 6.9559 6.9559 7.1780 7.1780 7.2703 7.2703 7.6556 7.6556 10.2767 10.2767 k = 0.2400 0.1386 0.5381 ( 11748 PWs) bands (ev): -20.1409 -20.1409 -20.1391 -20.1391 -20.1378 -20.1378 -20.1370 -20.1370 -17.1725 -17.1725 -17.1692 -17.1692 -17.1665 -17.1665 -17.1628 -17.1628 -17.1502 -17.1502 -17.1462 -17.1462 -8.8594 -8.8594 -7.9138 -7.9138 -7.8935 -7.8935 -7.6539 -7.6539 -7.5516 -7.5516 -7.5321 -7.5321 -6.0424 -6.0424 -4.9573 -4.9573 -0.1708 -0.1708 0.1302 0.1302 0.3139 0.3139 0.7107 0.7107 1.0290 1.0290 1.2765 1.2765 1.9287 1.9287 2.2377 2.2377 2.4925 2.4925 2.6933 2.6933 2.7781 2.7781 2.9143 2.9143 3.1115 3.1115 3.2442 3.2442 3.4161 3.4161 3.4881 3.4881 3.6542 3.6542 3.9104 3.9104 5.5399 5.5399 6.0689 6.0689 6.9993 6.9993 7.2266 7.2266 7.2959 7.2959 7.6590 7.6590 10.2279 10.2279 k = 0.2600 0.1501 0.5381 ( 11746 PWs) bands (ev): -20.1409 -20.1409 -20.1391 -20.1391 -20.1378 -20.1378 -20.1370 -20.1370 -17.1726 -17.1726 -17.1694 -17.1694 -17.1662 -17.1662 -17.1628 -17.1628 -17.1501 -17.1501 -17.1462 -17.1462 -8.8407 -8.8407 -7.9314 -7.9314 -7.9016 -7.9016 -7.6587 -7.6587 -7.5597 -7.5597 -7.5357 -7.5357 -6.0045 -6.0045 -4.9749 -4.9749 -0.1743 -0.1743 0.1461 0.1461 0.3511 0.3511 0.7248 0.7248 1.0558 1.0558 1.3047 1.3047 1.8800 1.8800 2.2324 2.2324 2.4632 2.4632 2.6753 2.6753 2.7627 2.7627 2.9041 2.9041 3.1113 3.1113 3.2220 3.2220 3.4046 3.4046 3.4661 3.4661 3.6406 3.6406 3.8954 3.8954 5.5774 5.5774 6.0783 6.0783 7.0406 7.0406 7.2720 7.2720 7.3248 7.3248 7.6640 7.6640 10.1708 10.1709 k = 0.2800 0.1617 0.5381 ( 11756 PWs) bands (ev): -20.1409 -20.1409 -20.1392 -20.1392 -20.1377 -20.1377 -20.1370 -20.1370 -17.1726 -17.1726 -17.1697 -17.1697 -17.1660 -17.1660 -17.1627 -17.1627 -17.1500 -17.1500 -17.1463 -17.1463 -8.8209 -8.8209 -7.9683 -7.9683 -7.8902 -7.8902 -7.6633 -7.6633 -7.5686 -7.5686 -7.5393 -7.5393 -5.9664 -5.9664 -4.9935 -4.9935 -0.1793 -0.1793 0.1661 0.1661 0.3914 0.3914 0.7377 0.7377 1.0807 1.0807 1.3306 1.3306 1.8307 1.8307 2.2192 2.2192 2.4416 2.4416 2.6573 2.6573 2.7471 2.7471 2.8958 2.8958 3.1105 3.1105 3.2003 3.2003 3.3950 3.3950 3.4458 3.4458 3.6267 3.6267 3.8807 3.8807 5.6115 5.6115 6.0872 6.0872 7.0790 7.0790 7.3084 7.3084 7.3617 7.3617 7.6711 7.6711 10.1100 10.1100 k = 0.3000 0.1732 0.5381 ( 11762 PWs) bands (ev): -20.1408 -20.1408 -20.1393 -20.1393 -20.1377 -20.1377 -20.1370 -20.1370 -17.1727 -17.1727 -17.1700 -17.1700 -17.1657 -17.1657 -17.1627 -17.1627 -17.1498 -17.1498 -17.1464 -17.1464 -8.8002 -8.8002 -8.0054 -8.0054 -7.8781 -7.8781 -7.6678 -7.6678 -7.5781 -7.5781 -7.5428 -7.5428 -5.9284 -5.9284 -5.0130 -5.0130 -0.1853 -0.1853 0.1900 0.1900 0.4340 0.4340 0.7492 0.7492 1.1032 1.1032 1.3526 1.3526 1.7837 1.7837 2.1970 2.1970 2.4290 2.4290 2.6389 2.6389 2.7312 2.7312 2.8898 2.8898 3.1085 3.1085 3.1809 3.1809 3.3870 3.3870 3.4272 3.4272 3.6124 3.6124 3.8665 3.8665 5.6422 5.6422 6.0952 6.0952 7.1132 7.1132 7.3353 7.3353 7.4063 7.4063 7.6804 7.6804 10.0482 10.0482 k = 0.3200 0.1848 0.5381 ( 11740 PWs) bands (ev): -20.1408 -20.1408 -20.1394 -20.1394 -20.1376 -20.1376 -20.1370 -20.1370 -17.1727 -17.1727 -17.1702 -17.1702 -17.1655 -17.1655 -17.1627 -17.1627 -17.1497 -17.1497 -17.1465 -17.1465 -8.7786 -8.7786 -8.0423 -8.0423 -7.8655 -7.8655 -7.6721 -7.6721 -7.5882 -7.5882 -7.5462 -7.5462 -5.8909 -5.8909 -5.0331 -5.0331 -0.1919 -0.1919 0.2175 0.2175 0.4781 0.4781 0.7589 0.7589 1.1225 1.1225 1.3682 1.3682 1.7428 1.7428 2.1667 2.1667 2.4245 2.4245 2.6206 2.6206 2.7149 2.7149 2.8856 2.8856 3.1046 3.1046 3.1656 3.1656 3.3803 3.3803 3.4105 3.4105 3.5980 3.5980 3.8532 3.8532 5.6695 5.6695 6.1022 6.1022 7.1418 7.1418 7.3578 7.3578 7.4533 7.4533 7.6918 7.6918 9.9878 9.9878 k = 0.3400 0.1963 0.5381 ( 11740 PWs) bands (ev): -20.1408 -20.1408 -20.1394 -20.1394 -20.1376 -20.1376 -20.1371 -20.1371 -17.1727 -17.1727 -17.1705 -17.1705 -17.1652 -17.1652 -17.1627 -17.1627 -17.1496 -17.1496 -17.1466 -17.1466 -8.7564 -8.7564 -8.0784 -8.0784 -7.8526 -7.8526 -7.6761 -7.6761 -7.5988 -7.5988 -7.5493 -7.5493 -5.8545 -5.8545 -5.0536 -5.0536 -0.1986 -0.1986 0.2483 0.2483 0.5228 0.5228 0.7663 0.7663 1.1378 1.1378 1.3752 1.3752 1.7119 1.7119 2.1306 2.1306 2.4260 2.4260 2.6026 2.6026 2.6983 2.6983 2.8825 2.8825 3.0983 3.0983 3.1558 3.1558 3.3745 3.3745 3.3959 3.3959 3.5836 3.5836 3.8408 3.8408 5.6935 5.6935 6.1080 6.1080 7.1637 7.1637 7.3793 7.3793 7.4994 7.4994 7.7049 7.7049 9.9305 9.9305 k = 0.3600 0.2078 0.5381 ( 11734 PWs) bands (ev): -20.1407 -20.1407 -20.1395 -20.1395 -20.1376 -20.1376 -20.1371 -20.1371 -17.1727 -17.1727 -17.1707 -17.1707 -17.1650 -17.1650 -17.1627 -17.1627 -17.1495 -17.1495 -17.1467 -17.1467 -8.7340 -8.7340 -8.1136 -8.1136 -7.8395 -7.8395 -7.6798 -7.6798 -7.6098 -7.6098 -7.5522 -7.5522 -5.8196 -5.8196 -5.0742 -5.0742 -0.2052 -0.2052 0.2818 0.2818 0.5672 0.5672 0.7711 0.7711 1.1477 1.1477 1.3729 1.3729 1.6938 1.6938 2.0911 2.0911 2.4310 2.4310 2.5857 2.5857 2.6818 2.6818 2.8794 2.8794 3.0904 3.0904 3.1513 3.1513 3.3689 3.3689 3.3841 3.3841 3.5693 3.5693 3.8295 3.8295 5.7144 5.7144 6.1127 6.1127 7.1786 7.1786 7.4010 7.4010 7.5429 7.5429 7.7190 7.7190 9.8776 9.8776 k = 0.3800 0.2194 0.5381 ( 11730 PWs) bands (ev): -20.1407 -20.1407 -20.1396 -20.1396 -20.1375 -20.1375 -20.1371 -20.1371 -17.1727 -17.1727 -17.1710 -17.1710 -17.1648 -17.1648 -17.1628 -17.1628 -17.1493 -17.1493 -17.1468 -17.1468 -8.7116 -8.7116 -8.1471 -8.1471 -7.8264 -7.8264 -7.6832 -7.6832 -7.6211 -7.6211 -7.5548 -7.5548 -5.7867 -5.7867 -5.0944 -5.0944 -0.2113 -0.2113 0.3174 0.3174 0.6100 0.6100 0.7728 0.7728 1.1510 1.1510 1.3638 1.3638 1.6885 1.6885 2.0503 2.0503 2.4379 2.4379 2.5707 2.5707 2.6660 2.6660 2.8755 2.8755 3.0828 3.0828 3.1504 3.1504 3.3628 3.3628 3.3758 3.3758 3.5554 3.5554 3.8196 3.8196 5.7322 5.7322 6.1162 6.1162 7.1872 7.1872 7.4228 7.4228 7.5829 7.5829 7.7332 7.7332 9.8302 9.8302 k = 0.4000 0.2309 0.5381 ( 11734 PWs) bands (ev): -20.1406 -20.1406 -20.1396 -20.1396 -20.1375 -20.1375 -20.1371 -20.1371 -17.1727 -17.1727 -17.1712 -17.1712 -17.1646 -17.1646 -17.1628 -17.1628 -17.1492 -17.1492 -17.1468 -17.1468 -8.6899 -8.6899 -8.1784 -8.1784 -7.8134 -7.8134 -7.6862 -7.6862 -7.6322 -7.6322 -7.5570 -7.5570 -5.7566 -5.7566 -5.1136 -5.1136 -0.2168 -0.2168 0.3543 0.3543 0.6495 0.6495 0.7716 0.7716 1.1466 1.1466 1.3528 1.3528 1.6934 1.6934 2.0096 2.0096 2.4450 2.4450 2.5581 2.5581 2.6513 2.6513 2.8705 2.8705 3.0767 3.0767 3.1516 3.1516 3.3562 3.3562 3.3708 3.3708 3.5423 3.5423 3.8110 3.8110 5.7471 5.7471 6.1187 6.1187 7.1908 7.1908 7.4437 7.4437 7.6187 7.6187 7.7467 7.7467 9.7890 9.7890 k = 0.4200 0.2425 0.5381 ( 11738 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1374 -20.1374 -20.1371 -20.1371 -17.1726 -17.1726 -17.1714 -17.1714 -17.1644 -17.1644 -17.1628 -17.1628 -17.1491 -17.1491 -17.1469 -17.1469 -8.6695 -8.6695 -8.2068 -8.2068 -7.8010 -7.8010 -7.6889 -7.6889 -7.6430 -7.6430 -7.5589 -7.5589 -5.7300 -5.7300 -5.1311 -5.1311 -0.2215 -0.2215 0.3913 0.3913 0.6829 0.6829 0.7689 0.7689 1.1352 1.1352 1.3440 1.3440 1.7048 1.7048 1.9706 1.9706 2.4514 2.4514 2.5486 2.5486 2.6382 2.6382 2.8647 2.8647 3.0724 3.0724 3.1541 3.1541 3.3505 3.3505 3.3677 3.3677 3.5304 3.5304 3.8039 3.8039 5.7592 5.7592 6.1203 6.1203 7.1913 7.1913 7.4626 7.4626 7.6495 7.6495 7.7585 7.7585 9.7545 9.7545 k = 0.4400 0.2540 0.5381 ( 11738 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1374 -20.1374 -20.1371 -20.1371 -17.1725 -17.1725 -17.1716 -17.1716 -17.1643 -17.1643 -17.1629 -17.1629 -17.1490 -17.1490 -17.1470 -17.1470 -8.6515 -8.6515 -8.2310 -8.2310 -7.7895 -7.7895 -7.6914 -7.6914 -7.6528 -7.6528 -7.5604 -7.5604 -5.7078 -5.7078 -5.1462 -5.1462 -0.2253 -0.2253 0.4265 0.4265 0.7045 0.7045 0.7691 0.7691 1.1198 1.1198 1.3389 1.3389 1.7197 1.7197 1.9347 1.9347 2.4561 2.4561 2.5425 2.5425 2.6273 2.6273 2.8587 2.8587 3.0697 3.0697 3.1569 3.1569 3.3463 3.3463 3.3655 3.3655 3.5203 3.5203 3.7984 3.7984 5.7686 5.7686 6.1212 6.1212 7.1901 7.1901 7.4784 7.4784 7.6747 7.6747 7.7681 7.7681 9.7273 9.7273 k = 0.4600 0.2656 0.5381 ( 11734 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1374 -20.1374 -20.1372 -20.1372 -17.1724 -17.1724 -17.1718 -17.1718 -17.1642 -17.1642 -17.1629 -17.1629 -17.1490 -17.1490 -17.1470 -17.1470 -8.6371 -8.6371 -8.2499 -8.2499 -7.7799 -7.7799 -7.6937 -7.6937 -7.6608 -7.6608 -7.5615 -7.5615 -5.6910 -5.6910 -5.1579 -5.1579 -0.2281 -0.2281 0.4572 0.4572 0.7093 0.7093 0.7774 0.7774 1.1047 1.1047 1.3365 1.3365 1.7356 1.7356 1.9038 1.9038 2.4590 2.4590 2.5392 2.5392 2.6191 2.6191 2.8535 2.8535 3.0681 3.0681 3.1596 3.1596 3.3437 3.3437 3.3640 3.3640 3.5124 3.5124 3.7944 3.7944 5.7753 5.7753 6.1217 6.1217 7.1883 7.1883 7.4902 7.4902 7.6935 7.6935 7.7749 7.7749 9.7077 9.7077 k = 0.4800 0.2771 0.5381 ( 11732 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6276 -8.6276 -8.2620 -8.2620 -7.7731 -7.7731 -7.6955 -7.6955 -7.6661 -7.6661 -7.5621 -7.5621 -5.6804 -5.6804 -5.1653 -5.1653 -0.2298 -0.2298 0.4792 0.4792 0.7048 0.7048 0.7877 0.7877 1.0937 1.0937 1.3357 1.3357 1.7491 1.7491 1.8812 1.8812 2.4604 2.4604 2.5380 2.5380 2.6140 2.6140 2.8499 2.8499 3.0673 3.0673 3.1615 3.1615 3.3422 3.3422 3.3630 3.3630 3.5075 3.5075 3.7920 3.7920 5.7793 5.7793 6.1219 6.1219 7.1870 7.1870 7.4975 7.4975 7.7053 7.7053 7.7789 7.7789 9.6958 9.6958 k = 0.5000 0.2887 0.5381 ( 11732 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6243 -8.6243 -8.2662 -8.2662 -7.7707 -7.7707 -7.6962 -7.6962 -7.6680 -7.6680 -7.5624 -7.5624 -5.6768 -5.6768 -5.1679 -5.1679 -0.2303 -0.2303 0.4874 0.4874 0.7018 0.7018 0.7919 0.7919 1.0897 1.0897 1.3356 1.3356 1.7548 1.7548 1.8725 1.8725 2.4608 2.4608 2.5377 2.5377 2.6122 2.6122 2.8486 2.8486 3.0671 3.0671 3.1621 3.1621 3.3418 3.3418 3.3627 3.3627 3.5058 3.5058 3.7912 3.7912 5.7807 5.7807 6.1220 6.1220 7.1865 7.1865 7.5000 7.5000 7.7093 7.7093 7.7802 7.7802 9.6919 9.6919 k = 0.5000 0.2887 0.5381 ( 11732 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6243 -8.6243 -8.2662 -8.2662 -7.7707 -7.7707 -7.6962 -7.6962 -7.6680 -7.6680 -7.5624 -7.5624 -5.6768 -5.6768 -5.1679 -5.1679 -0.2303 -0.2303 0.4874 0.4874 0.7018 0.7018 0.7919 0.7919 1.0897 1.0897 1.3356 1.3356 1.7548 1.7548 1.8725 1.8725 2.4608 2.4608 2.5377 2.5377 2.6122 2.6122 2.8486 2.8486 3.0671 3.0671 3.1621 3.1621 3.3418 3.3418 3.3627 3.3627 3.5058 3.5058 3.7912 3.7912 5.7807 5.7807 6.1220 6.1220 7.1865 7.1865 7.5000 7.5000 7.7093 7.7093 7.7802 7.7802 9.6919 9.6919 k = 0.4889 0.3079 0.5381 ( 11746 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1724 -17.1724 -17.1719 -17.1719 -17.1641 -17.1641 -17.1629 -17.1629 -17.1489 -17.1489 -17.1471 -17.1471 -8.6235 -8.6235 -8.2669 -8.2669 -7.7704 -7.7704 -7.6969 -7.6969 -7.6682 -7.6682 -7.5623 -7.5623 -5.6753 -5.6753 -5.1690 -5.1690 -0.2282 -0.2282 0.4853 0.4853 0.6931 0.6931 0.7993 0.7993 1.0897 1.0897 1.3382 1.3382 1.7555 1.7555 1.8735 1.8735 2.4581 2.4581 2.5371 2.5371 2.6147 2.6147 2.8481 2.8481 3.0658 3.0658 3.1640 3.1640 3.3399 3.3399 3.3639 3.3639 3.5052 3.5052 3.7872 3.7872 5.7843 5.7843 6.1223 6.1223 7.1873 7.1873 7.4995 7.4995 7.7074 7.7074 7.7798 7.7798 9.6921 9.6921 k = 0.4778 0.3272 0.5381 ( 11750 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1374 -20.1374 -20.1371 -20.1371 -17.1726 -17.1726 -17.1717 -17.1717 -17.1643 -17.1643 -17.1628 -17.1628 -17.1489 -17.1489 -17.1471 -17.1471 -8.6211 -8.6211 -8.2691 -8.2691 -7.7695 -7.7695 -7.6989 -7.6989 -7.6689 -7.6689 -7.5623 -7.5623 -5.6708 -5.6708 -5.1724 -5.1724 -0.2217 -0.2217 0.4790 0.4790 0.6720 0.6720 0.8163 0.8163 1.0900 1.0900 1.3458 1.3458 1.7577 1.7577 1.8767 1.8767 2.4506 2.4506 2.5349 2.5349 2.6218 2.6218 2.8465 2.8465 3.0624 3.0624 3.1695 3.1695 3.3353 3.3353 3.3666 3.3666 3.5035 3.5035 3.7755 3.7755 5.7949 5.7949 6.1234 6.1234 7.1897 7.1897 7.4979 7.4979 7.7022 7.7022 7.7785 7.7785 9.6929 9.6929 k = 0.4667 0.3464 0.5381 ( 11766 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1374 -20.1374 -20.1371 -20.1371 -17.1728 -17.1728 -17.1714 -17.1714 -17.1645 -17.1645 -17.1626 -17.1626 -17.1489 -17.1489 -17.1471 -17.1471 -8.6170 -8.6170 -8.2728 -8.2728 -7.7679 -7.7679 -7.7022 -7.7022 -7.6698 -7.6698 -7.5622 -7.5622 -5.6632 -5.6632 -5.1779 -5.1779 -0.2110 -0.2110 0.4689 0.4689 0.6449 0.6449 0.8368 0.8368 1.0902 1.0902 1.3580 1.3580 1.7613 1.7613 1.8819 1.8819 2.4394 2.4394 2.5309 2.5309 2.6325 2.6325 2.8437 2.8437 3.0574 3.0574 3.1779 3.1779 3.3290 3.3290 3.3696 3.3696 3.5007 3.5007 3.7570 3.7570 5.8119 5.8119 6.1249 6.1249 7.1938 7.1938 7.4956 7.4956 7.6938 7.6938 7.7762 7.7762 9.6944 9.6944 k = 0.4556 0.3657 0.5381 ( 11762 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1374 -20.1374 -20.1371 -20.1371 -17.1730 -17.1730 -17.1711 -17.1711 -17.1648 -17.1648 -17.1624 -17.1624 -17.1488 -17.1488 -17.1471 -17.1471 -8.6112 -8.6112 -8.2781 -8.2781 -7.7658 -7.7658 -7.7068 -7.7068 -7.6707 -7.6707 -7.5624 -7.5624 -5.6528 -5.6528 -5.1857 -5.1857 -0.1961 -0.1961 0.4554 0.4554 0.6148 0.6148 0.8583 0.8583 1.0904 1.0904 1.3740 1.3740 1.7664 1.7664 1.8894 1.8894 2.4256 2.4256 2.5250 2.5250 2.6457 2.6457 2.8397 2.8397 3.0514 3.0514 3.1886 3.1886 3.3219 3.3219 3.3722 3.3722 3.4968 3.4968 3.7331 3.7331 5.8340 5.8340 6.1269 6.1269 7.1995 7.1995 7.4926 7.4926 7.6829 7.6829 7.7730 7.7730 9.6966 9.6966 k = 0.4444 0.3849 0.5381 ( 11762 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1375 -20.1375 -20.1371 -20.1371 -17.1732 -17.1732 -17.1709 -17.1709 -17.1651 -17.1651 -17.1622 -17.1622 -17.1488 -17.1488 -17.1472 -17.1472 -8.6039 -8.6039 -8.2849 -8.2849 -7.7632 -7.7632 -7.7124 -7.7124 -7.6717 -7.6717 -7.5629 -7.5629 -5.6397 -5.6397 -5.1957 -5.1957 -0.1770 -0.1770 0.4389 0.4389 0.5828 0.5828 0.8798 0.8798 1.0903 1.0903 1.3930 1.3930 1.7728 1.7728 1.8990 1.8990 2.4097 2.4097 2.5173 2.5173 2.6602 2.6602 2.8346 2.8346 3.0447 3.0447 3.2009 3.2009 3.3143 3.3143 3.3742 3.3742 3.4920 3.4920 3.7053 3.7053 5.8599 5.8599 6.1289 6.1289 7.2067 7.2067 7.4894 7.4894 7.6700 7.6700 7.7686 7.7686 9.6998 9.6998 k = 0.4333 0.4041 0.5381 ( 11766 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1375 -20.1375 -20.1370 -20.1370 -17.1733 -17.1733 -17.1706 -17.1706 -17.1653 -17.1653 -17.1621 -17.1621 -17.1488 -17.1488 -17.1472 -17.1472 -8.5949 -8.5949 -8.2933 -8.2933 -7.7600 -7.7600 -7.7186 -7.7186 -7.6726 -7.6726 -7.5638 -7.5638 -5.6240 -5.6240 -5.2078 -5.2078 -0.1539 -0.1539 0.4198 0.4198 0.5498 0.5498 0.9010 0.9010 1.0899 1.0899 1.4137 1.4137 1.7804 1.7804 1.9111 1.9111 2.3921 2.3921 2.5079 2.5079 2.6751 2.6751 2.8286 2.8286 3.0375 3.0375 3.2146 3.2146 3.3064 3.3064 3.3754 3.3754 3.4864 3.4864 3.6756 3.6756 5.8884 5.8884 6.1308 6.1308 7.2152 7.2152 7.4862 7.4862 7.6560 7.6560 7.7634 7.7634 9.7038 9.7038 k = 0.4222 0.4234 0.5381 ( 11776 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1375 -20.1375 -20.1370 -20.1370 -17.1735 -17.1735 -17.1703 -17.1703 -17.1656 -17.1656 -17.1619 -17.1619 -17.1487 -17.1487 -17.1473 -17.1473 -8.5843 -8.5843 -8.3035 -8.3035 -7.7564 -7.7564 -7.7249 -7.7249 -7.6736 -7.6736 -7.5650 -7.5650 -5.6060 -5.6060 -5.2220 -5.2220 -0.1269 -0.1269 0.3985 0.3985 0.5163 0.5163 0.9217 0.9217 1.0891 1.0891 1.4354 1.4354 1.7891 1.7891 1.9256 1.9256 2.3724 2.3724 2.4971 2.4971 2.6892 2.6892 2.8226 2.8226 3.0297 3.0297 3.2291 3.2291 3.2988 3.2988 3.3754 3.3754 3.4803 3.4803 3.6455 3.6455 5.9179 5.9179 6.1321 6.1321 7.2248 7.2248 7.4835 7.4835 7.6415 7.6415 7.7573 7.7573 9.7085 9.7085 k = 0.4111 0.4426 0.5381 ( 11766 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1375 -20.1375 -20.1370 -20.1370 -17.1736 -17.1736 -17.1701 -17.1701 -17.1659 -17.1659 -17.1618 -17.1618 -17.1486 -17.1486 -17.1473 -17.1473 -8.5722 -8.5722 -8.3154 -8.3154 -7.7526 -7.7526 -7.7309 -7.7309 -7.6749 -7.6749 -7.5667 -7.5667 -5.5858 -5.5858 -5.2382 -5.2382 -0.0961 -0.0961 0.3754 0.3754 0.4829 0.4829 0.9416 0.9416 1.0880 1.0880 1.4569 1.4569 1.7986 1.7986 1.9427 1.9427 2.3503 2.3503 2.4854 2.4854 2.7011 2.7011 2.8182 2.8182 3.0211 3.0211 3.2442 3.2442 3.2919 3.2919 3.3743 3.3743 3.4740 3.4740 3.6166 3.6166 5.9473 5.9473 6.1327 6.1327 7.2351 7.2351 7.4817 7.4817 7.6270 7.6270 7.7507 7.7507 9.7135 9.7135 k = 0.4000 0.4619 0.5381 ( 11768 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1370 -20.1370 -17.1737 -17.1737 -17.1698 -17.1698 -17.1662 -17.1662 -17.1617 -17.1617 -17.1486 -17.1486 -17.1474 -17.1474 -8.5585 -8.5585 -8.3290 -8.3290 -7.7494 -7.7494 -7.7353 -7.7353 -7.6766 -7.6766 -7.5686 -7.5686 -5.5636 -5.5636 -5.2564 -5.2564 -0.0617 -0.0617 0.3508 0.3508 0.4501 0.4501 0.9606 0.9606 1.0864 1.0864 1.4775 1.4775 1.8090 1.8090 1.9625 1.9625 2.3250 2.3250 2.4735 2.4735 2.7091 2.7091 2.8174 2.8174 3.0115 3.0115 3.2595 3.2595 3.2860 3.2860 3.3718 3.3718 3.4679 3.4679 3.5897 3.5897 5.9755 5.9755 6.1322 6.1322 7.2455 7.2455 7.4812 7.4812 7.6131 7.6131 7.7438 7.7438 9.7177 9.7177 k = 0.3889 0.4811 0.5381 ( 11772 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1370 -20.1370 -17.1738 -17.1738 -17.1696 -17.1696 -17.1664 -17.1664 -17.1615 -17.1615 -17.1485 -17.1485 -17.1474 -17.1474 -8.5432 -8.5432 -8.3444 -8.3444 -7.7491 -7.7491 -7.7356 -7.7356 -7.6789 -7.6789 -7.5707 -7.5707 -5.5397 -5.5397 -5.2765 -5.2765 -0.0239 -0.0239 0.3249 0.3249 0.4183 0.4183 0.9785 0.9785 1.0843 1.0843 1.4963 1.4963 1.8200 1.8200 1.9847 1.9847 2.2960 2.2960 2.4620 2.4620 2.7122 2.7122 2.8217 2.8217 3.0006 3.0006 3.2742 3.2742 3.2822 3.2822 3.3680 3.3680 3.4624 3.4624 3.5657 3.5657 6.0019 6.0019 6.1303 6.1303 7.2554 7.2554 7.4826 7.4826 7.5998 7.5998 7.7371 7.7371 9.7194 9.7194 k = 0.3778 0.5004 0.5381 ( 11784 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1739 -17.1739 -17.1693 -17.1693 -17.1667 -17.1667 -17.1615 -17.1615 -17.1484 -17.1484 -17.1475 -17.1475 -8.5265 -8.5265 -8.3614 -8.3614 -7.7518 -7.7518 -7.7317 -7.7317 -7.6819 -7.6819 -7.5727 -7.5727 -5.5144 -5.5144 -5.2984 -5.2984 0.0167 0.0167 0.2980 0.2980 0.3880 0.3880 0.9952 0.9952 1.0814 1.0814 1.5126 1.5126 1.8315 1.8315 2.0091 2.0091 2.2632 2.2632 2.4516 2.4516 2.7109 2.7109 2.8309 2.8309 2.9885 2.9885 3.2782 3.2782 3.2900 3.2900 3.3633 3.3633 3.4576 3.4576 3.5448 3.5448 6.0257 6.0257 6.1269 6.1269 7.2641 7.2641 7.4866 7.4866 7.5872 7.5872 7.7311 7.7311 9.7164 9.7164 k = 0.3667 0.5196 0.5381 ( 11786 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1739 -17.1739 -17.1691 -17.1691 -17.1669 -17.1669 -17.1614 -17.1614 -17.1484 -17.1484 -17.1476 -17.1476 -8.5082 -8.5082 -8.3801 -8.3801 -7.7549 -7.7549 -7.7259 -7.7259 -7.6858 -7.6858 -7.5745 -7.5745 -5.4879 -5.4879 -5.3221 -5.3221 0.0597 0.0597 0.2703 0.2703 0.3597 0.3597 1.0104 1.0104 1.0777 1.0777 1.5258 1.5258 1.8431 1.8431 2.0351 2.0351 2.2272 2.2272 2.4429 2.4429 2.7074 2.7074 2.8432 2.8432 2.9757 2.9757 3.2775 3.2775 3.3030 3.3030 3.3581 3.3581 3.4538 3.4538 3.5275 3.5275 6.0469 6.0469 6.1219 6.1219 7.2708 7.2708 7.4936 7.4936 7.5746 7.5746 7.7261 7.7261 9.7097 9.7097 k = 0.3556 0.5389 0.5381 ( 11778 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1690 -17.1690 -17.1671 -17.1671 -17.1613 -17.1613 -17.1483 -17.1483 -17.1476 -17.1476 -8.4885 -8.4885 -8.4002 -8.4002 -7.7574 -7.7574 -7.7194 -7.7194 -7.6907 -7.6907 -7.5759 -7.5759 -5.4603 -5.4603 -5.3474 -5.3474 0.1039 0.1039 0.2422 0.2422 0.3343 0.3343 1.0239 1.0239 1.0729 1.0729 1.5357 1.5357 1.8541 1.8541 2.0620 2.0620 2.1898 2.1898 2.4363 2.4363 2.7036 2.7036 2.8563 2.8563 2.9631 2.9631 3.2779 3.2779 3.3137 3.3137 3.3534 3.3534 3.4509 3.4509 3.5143 3.5143 6.0651 6.0651 6.1151 6.1151 7.2753 7.2753 7.5038 7.5038 7.5617 7.5617 7.7225 7.7225 9.7021 9.7021 k = 0.3444 0.5581 0.5381 ( 11790 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1689 -17.1689 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4675 -8.4675 -8.4216 -8.4216 -7.7589 -7.7589 -7.7124 -7.7124 -7.6967 -7.6967 -7.5769 -7.5769 -5.4320 -5.4320 -5.3743 -5.3743 0.1465 0.1465 0.2146 0.2146 0.3139 0.3139 1.0349 1.0349 1.0675 1.0675 1.5417 1.5417 1.8628 1.8628 2.0881 2.0881 2.1547 2.1547 2.4321 2.4321 2.7008 2.7008 2.8670 2.8670 2.9530 2.9530 3.2788 3.2788 3.3206 3.3206 3.3503 3.3503 3.4491 3.4491 3.5058 3.5058 6.0801 6.0801 6.1068 6.1068 7.2777 7.2777 7.5169 7.5169 7.5477 7.5477 7.7205 7.7205 9.6965 9.6965 k = 0.3333 0.5774 0.5381 ( 11784 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4485 -8.4485 -8.4407 -8.4407 -7.7594 -7.7594 -7.7070 -7.7070 -7.7017 -7.7017 -7.5772 -7.5772 -5.4060 -5.4060 -5.3998 -5.3998 0.1735 0.1735 0.1952 0.1952 0.3044 0.3044 1.0401 1.0401 1.0642 1.0642 1.5438 1.5438 1.8665 1.8665 2.1045 2.1045 2.1345 2.1345 2.4306 2.4306 2.6998 2.6998 2.8715 2.8715 2.9488 2.9488 3.2793 3.2793 3.3227 3.3227 3.3494 3.3494 3.4485 3.4485 3.5028 3.5028 6.0887 6.0887 6.1005 6.1005 7.2784 7.2784 7.5312 7.5312 7.5334 7.5334 7.7199 7.7199 9.6944 9.6944 k = 0.3333 0.5774 0.5381 ( 11784 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4485 -8.4485 -8.4407 -8.4407 -7.7594 -7.7594 -7.7070 -7.7070 -7.7017 -7.7017 -7.5772 -7.5772 -5.4060 -5.4060 -5.3998 -5.3998 0.1735 0.1735 0.1952 0.1952 0.3044 0.3044 1.0401 1.0401 1.0642 1.0642 1.5438 1.5438 1.8665 1.8665 2.1045 2.1045 2.1345 2.1345 2.4306 2.4306 2.6998 2.6998 2.8715 2.8715 2.9488 2.9488 3.2793 3.2793 3.3227 3.3227 3.3494 3.3494 3.4485 3.4485 3.5028 3.5028 6.0887 6.0887 6.1005 6.1005 7.2784 7.2784 7.5312 7.5312 7.5334 7.5334 7.7199 7.7199 9.6944 9.6944 k = 0.3218 0.5574 0.5381 ( 11780 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1689 -17.1689 -17.1672 -17.1672 -17.1613 -17.1613 -17.1483 -17.1483 -17.1477 -17.1477 -8.4695 -8.4695 -8.4195 -8.4195 -7.7589 -7.7589 -7.7134 -7.7134 -7.6957 -7.6957 -7.5768 -7.5768 -5.4340 -5.4340 -5.3724 -5.3724 0.1529 0.1529 0.2029 0.2029 0.3192 0.3192 1.0337 1.0337 1.0684 1.0684 1.5415 1.5415 1.8613 1.8613 2.0932 2.0932 2.1514 2.1514 2.4323 2.4323 2.7009 2.7009 2.8666 2.8666 2.9533 2.9533 3.2784 3.2784 3.3210 3.3210 3.3501 3.3501 3.4491 3.4491 3.5061 3.5061 6.0798 6.0798 6.1070 6.1070 7.2779 7.2779 7.5147 7.5147 7.5495 7.5495 7.7204 7.7204 9.6969 9.6969 k = 0.3103 0.5375 0.5381 ( 11776 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1689 -17.1689 -17.1671 -17.1671 -17.1614 -17.1614 -17.1483 -17.1483 -17.1476 -17.1476 -8.4948 -8.4948 -8.3935 -8.3935 -7.7575 -7.7575 -7.7227 -7.7227 -7.6873 -7.6873 -7.5759 -7.5759 -5.4662 -5.4662 -5.3419 -5.3419 0.1253 0.1253 0.1960 0.1960 0.3588 0.3588 1.0185 1.0185 1.0767 1.0767 1.5348 1.5348 1.8448 1.8448 2.0871 2.0871 2.1761 2.1761 2.4377 2.4377 2.7043 2.7043 2.8544 2.8544 2.9645 2.9645 3.2755 3.2755 3.3164 3.3164 3.3523 3.3523 3.4507 3.4507 3.5158 3.5158 6.0649 6.0649 6.1152 6.1152 7.2767 7.2767 7.4955 7.4955 7.5668 7.5668 7.7214 7.7214 9.7045 9.7045 k = 0.2989 0.5176 0.5381 ( 11764 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1739 -17.1739 -17.1691 -17.1691 -17.1670 -17.1670 -17.1614 -17.1614 -17.1484 -17.1484 -17.1475 -17.1475 -8.5208 -8.5208 -8.3661 -8.3661 -7.7556 -7.7556 -7.7326 -7.7326 -7.6785 -7.6785 -7.5743 -7.5743 -5.4998 -5.4998 -5.3114 -5.3114 0.0981 0.0981 0.1810 0.1810 0.4089 0.4089 0.9974 0.9974 1.0860 1.0860 1.5237 1.5237 1.8194 1.8194 2.0931 2.0931 2.2001 2.2001 2.4469 2.4469 2.7096 2.7096 2.8390 2.8390 2.9783 2.9783 3.2707 3.2707 3.3094 3.3094 3.3567 3.3567 3.4535 3.4535 3.5308 3.5308 6.0473 6.0473 6.1218 6.1218 7.2751 7.2751 7.4747 7.4747 7.5831 7.5831 7.7222 7.7222 9.7175 9.7175 k = 0.2874 0.4977 0.5381 ( 11760 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1739 -17.1739 -17.1692 -17.1692 -17.1668 -17.1668 -17.1615 -17.1615 -17.1485 -17.1485 -17.1474 -17.1474 -8.5474 -8.5474 -8.3373 -8.3373 -7.7554 -7.7554 -7.7409 -7.7409 -7.6693 -7.6693 -7.5722 -7.5722 -5.5347 -5.5347 -5.2810 -5.2810 0.0718 0.0718 0.1641 0.1641 0.4618 0.4618 0.9708 0.9708 1.0958 1.0958 1.5087 1.5087 1.7899 1.7899 2.1077 2.1077 2.2228 2.2228 2.4597 2.4597 2.7160 2.7160 2.8231 2.8231 2.9924 2.9924 3.2646 3.2646 3.3013 3.3013 3.3628 3.3628 3.4576 3.4576 3.5500 3.5500 6.0273 6.0273 6.1266 6.1266 7.2734 7.2734 7.4527 7.4527 7.5972 7.5972 7.7223 7.7223 9.7358 9.7358 k = 0.2759 0.4778 0.5381 ( 11742 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1376 -20.1376 -20.1369 -20.1369 -17.1738 -17.1738 -17.1693 -17.1693 -17.1667 -17.1667 -17.1615 -17.1615 -17.1486 -17.1486 -17.1473 -17.1473 -8.5742 -8.5742 -8.3073 -8.3073 -7.7622 -7.7622 -7.7419 -7.7419 -7.6600 -7.6600 -7.5697 -7.5697 -5.5706 -5.5706 -5.2510 -5.2510 0.0467 0.0467 0.1475 0.1475 0.5141 0.5141 0.9388 0.9388 1.1062 1.1062 1.4908 1.4908 1.7600 1.7600 2.1274 2.1274 2.2443 2.2443 2.4756 2.4756 2.7223 2.7223 2.8092 2.8092 3.0055 3.0055 3.2579 3.2579 3.2935 3.2935 3.3700 3.3700 3.4638 3.4638 3.5720 3.5720 6.0049 6.0049 6.1298 6.1298 7.2711 7.2711 7.4301 7.4301 7.6081 7.6081 7.7212 7.7212 9.7588 9.7588 k = 0.2644 0.4579 0.5381 ( 11750 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1376 -20.1376 -20.1370 -20.1370 -17.1737 -17.1737 -17.1694 -17.1694 -17.1666 -17.1666 -17.1616 -17.1616 -17.1488 -17.1488 -17.1472 -17.1472 -8.6011 -8.6011 -8.2761 -8.2761 -7.7737 -7.7737 -7.7381 -7.7381 -7.6506 -7.6506 -7.5668 -7.5668 -5.6076 -5.6076 -5.2214 -5.2214 0.0230 0.0230 0.1318 0.1318 0.5634 0.5634 0.9015 0.9015 1.1175 1.1175 1.4714 1.4714 1.7319 1.7319 2.1495 2.1495 2.2652 2.2652 2.4937 2.4937 2.7262 2.7262 2.8002 2.8002 3.0166 3.0166 3.2513 3.2513 3.2873 3.2873 3.3773 3.3773 3.4724 3.4724 3.5960 3.5960 5.9802 5.9802 6.1315 6.1315 7.2676 7.2676 7.4074 7.4074 7.6146 7.6146 7.7186 7.7186 9.7852 9.7852 k = 0.2529 0.4380 0.5381 ( 11750 PWs) bands (ev): -20.1406 -20.1406 -20.1397 -20.1397 -20.1376 -20.1376 -20.1370 -20.1370 -17.1737 -17.1737 -17.1695 -17.1695 -17.1664 -17.1664 -17.1617 -17.1617 -17.1489 -17.1489 -17.1471 -17.1471 -8.6279 -8.6279 -8.2439 -8.2439 -7.7864 -7.7864 -7.7327 -7.7327 -7.6411 -7.6411 -7.5637 -7.5637 -5.6454 -5.6454 -5.1925 -5.1925 0.0008 0.0008 0.1175 0.1175 0.6076 0.6076 0.8595 0.8595 1.1296 1.1296 1.4523 1.4523 1.7068 1.7068 2.1722 2.1722 2.2863 2.2863 2.5129 2.5129 2.7255 2.7255 2.7989 2.7989 3.0254 3.0254 3.2454 3.2454 3.2836 3.2836 3.3842 3.3842 3.4837 3.4837 3.6216 3.6216 5.9532 5.9532 6.1317 6.1317 7.2616 7.2616 7.3860 7.3860 7.6159 7.6159 7.7145 7.7145 9.8104 9.8104 k = 0.2414 0.4181 0.5381 ( 11742 PWs) bands (ev): -20.1406 -20.1406 -20.1396 -20.1396 -20.1376 -20.1376 -20.1370 -20.1370 -17.1736 -17.1736 -17.1696 -17.1696 -17.1663 -17.1663 -17.1618 -17.1618 -17.1490 -17.1490 -17.1470 -17.1470 -8.6544 -8.6544 -8.2107 -8.2107 -7.7997 -7.7997 -7.7266 -7.7266 -7.6315 -7.6315 -7.5603 -7.5603 -5.6840 -5.6840 -5.1643 -5.1643 -0.0199 -0.0199 0.1047 0.1047 0.6445 0.6445 0.8139 0.8139 1.1417 1.1417 1.4353 1.4353 1.6854 1.6854 2.1943 2.1943 2.3079 2.3079 2.5320 2.5320 2.7211 2.7211 2.8052 2.8052 3.0318 3.0318 3.2406 3.2406 3.2829 3.2829 3.3906 3.3906 3.4976 3.4976 3.6481 3.6481 5.9237 5.9237 6.1305 6.1305 7.2515 7.2515 7.3672 7.3672 7.6109 7.6109 7.7092 7.7092 9.8328 9.8328 k = 0.2299 0.3982 0.5381 ( 11738 PWs) bands (ev): -20.1407 -20.1407 -20.1396 -20.1396 -20.1376 -20.1376 -20.1370 -20.1370 -17.1735 -17.1735 -17.1696 -17.1696 -17.1663 -17.1663 -17.1619 -17.1619 -17.1492 -17.1492 -17.1469 -17.1469 -8.6805 -8.6805 -8.1767 -8.1767 -7.8132 -7.8132 -7.7199 -7.7199 -7.6219 -7.6219 -7.5568 -7.5568 -5.7232 -5.7232 -5.1369 -5.1369 -0.0391 -0.0391 0.0937 0.0937 0.6711 0.6711 0.7676 0.7676 1.1518 1.1518 1.4218 1.4218 1.6692 1.6692 2.2148 2.2148 2.3302 2.3302 2.5499 2.5499 2.7166 2.7166 2.8160 2.8160 3.0362 3.0362 3.2373 3.2373 3.2859 3.2859 3.3967 3.3967 3.5136 3.5136 3.6754 3.6754 5.8920 5.8920 6.1280 6.1280 7.2357 7.2357 7.3521 7.3521 7.5989 7.5989 7.7030 7.7030 9.8581 9.8581 k = 0.2184 0.3783 0.5381 ( 11746 PWs) bands (ev): -20.1407 -20.1407 -20.1395 -20.1395 -20.1377 -20.1377 -20.1370 -20.1370 -17.1734 -17.1734 -17.1696 -17.1696 -17.1662 -17.1662 -17.1620 -17.1620 -17.1493 -17.1493 -17.1468 -17.1468 -8.7061 -8.7061 -8.1418 -8.1418 -7.8267 -7.8267 -7.7128 -7.7128 -7.6124 -7.6124 -7.5531 -7.5531 -5.7630 -5.7630 -5.1105 -5.1105 -0.0567 -0.0567 0.0846 0.0846 0.6754 0.6754 0.7330 0.7330 1.1574 1.1574 1.4119 1.4119 1.6609 1.6609 2.2329 2.2329 2.3532 2.3532 2.5657 2.5657 2.7153 2.7153 2.8286 2.8286 3.0397 3.0397 3.2354 3.2354 3.2925 3.2925 3.4027 3.4027 3.5313 3.5313 3.7032 3.7032 5.8579 5.8579 6.1241 6.1241 7.2140 7.2140 7.3407 7.3407 7.5794 7.5794 7.6964 7.6964 9.8880 9.8880 k = 0.2069 0.3584 0.5381 ( 11742 PWs) bands (ev): -20.1407 -20.1407 -20.1395 -20.1395 -20.1377 -20.1377 -20.1370 -20.1370 -17.1733 -17.1733 -17.1696 -17.1696 -17.1662 -17.1662 -17.1621 -17.1621 -17.1494 -17.1494 -17.1467 -17.1467 -8.7309 -8.7309 -8.1064 -8.1064 -7.8402 -7.8402 -7.7055 -7.7055 -7.6031 -7.6031 -7.5494 -7.5494 -5.8031 -5.8031 -5.0850 -5.0850 -0.0728 -0.0728 0.0772 0.0772 0.6395 0.6395 0.7294 0.7294 1.1562 1.1562 1.4034 1.4034 1.6640 1.6640 2.2476 2.2476 2.3769 2.3769 2.5793 2.5793 2.7188 2.7188 2.8412 2.8412 3.0436 3.0436 3.2350 3.2350 3.3026 3.3026 3.4091 3.4091 3.5500 3.5500 3.7311 3.7311 5.8217 5.8217 6.1191 6.1191 7.1872 7.1872 7.3313 7.3313 7.5525 7.5525 7.6895 7.6895 9.9232 9.9232 k = 0.1954 0.3384 0.5381 ( 11730 PWs) bands (ev): -20.1408 -20.1408 -20.1394 -20.1394 -20.1377 -20.1377 -20.1370 -20.1370 -17.1732 -17.1732 -17.1695 -17.1695 -17.1663 -17.1663 -17.1622 -17.1622 -17.1496 -17.1496 -17.1466 -17.1466 -8.7550 -8.7550 -8.0704 -8.0704 -7.8534 -7.8534 -7.6980 -7.6980 -7.5939 -7.5939 -7.5457 -7.5457 -5.8434 -5.8434 -5.0607 -5.0607 -0.0874 -0.0874 0.0718 0.0718 0.5889 0.5889 0.7332 0.7332 1.1475 1.1475 1.3926 1.3926 1.6813 1.6813 2.2583 2.2583 2.4010 2.4010 2.5916 2.5916 2.7271 2.7271 2.8530 2.8530 3.0488 3.0488 3.2362 3.2362 3.3158 3.3158 3.4161 3.4161 3.5691 3.5691 3.7590 3.7590 5.7832 5.7832 6.1128 6.1128 7.1568 7.1568 7.3223 7.3223 7.5188 7.5188 7.6827 7.6827 9.9635 9.9635 k = 0.1839 0.3185 0.5381 ( 11738 PWs) bands (ev): -20.1408 -20.1408 -20.1393 -20.1393 -20.1377 -20.1377 -20.1370 -20.1370 -17.1730 -17.1730 -17.1694 -17.1694 -17.1663 -17.1663 -17.1623 -17.1623 -17.1497 -17.1497 -17.1465 -17.1465 -8.7782 -8.7782 -8.0340 -8.0340 -7.8664 -7.8664 -7.6905 -7.6905 -7.5849 -7.5849 -7.5420 -7.5420 -5.8838 -5.8838 -5.0375 -5.0375 -0.1006 -0.1006 0.0683 0.0683 0.5360 0.5360 0.7340 0.7340 1.1324 1.1324 1.3768 1.3768 1.7130 1.7130 2.2648 2.2648 2.4255 2.4255 2.6040 2.6040 2.7389 2.7389 2.8635 2.8635 3.0560 3.0560 3.2393 3.2393 3.3316 3.3316 3.4240 3.4240 3.5880 3.5880 3.7866 3.7866 5.7427 5.7427 6.1056 6.1056 7.1238 7.1238 7.3117 7.3117 7.4793 7.4793 7.6761 7.6761 10.0087 10.0087 k = 0.1724 0.2986 0.5381 ( 11732 PWs) bands (ev): -20.1408 -20.1408 -20.1393 -20.1393 -20.1377 -20.1377 -20.1370 -20.1370 -17.1729 -17.1729 -17.1693 -17.1693 -17.1664 -17.1664 -17.1624 -17.1624 -17.1498 -17.1498 -17.1464 -17.1464 -8.8003 -8.8003 -7.9975 -7.9975 -7.8789 -7.8789 -7.6830 -7.6830 -7.5763 -7.5763 -7.5383 -7.5383 -5.9241 -5.9241 -5.0156 -5.0156 -0.1124 -0.1124 0.0666 0.0666 0.4838 0.4838 0.7308 0.7308 1.1122 1.1122 1.3557 1.3557 1.7560 1.7560 2.2671 2.2671 2.4502 2.4502 2.6181 2.6181 2.7526 2.7526 2.8733 2.8733 3.0649 3.0649 3.2445 3.2445 3.3497 3.3497 3.4334 3.4334 3.6065 3.6065 3.8137 3.8137 5.7003 5.7003 6.0974 6.0974 7.0890 7.0890 7.2982 7.2982 7.4353 7.4353 7.6701 7.6701 10.0583 10.0583 k = 0.1609 0.2787 0.5381 ( 11728 PWs) bands (ev): -20.1409 -20.1409 -20.1392 -20.1392 -20.1378 -20.1378 -20.1370 -20.1370 -17.1728 -17.1728 -17.1692 -17.1692 -17.1666 -17.1666 -17.1625 -17.1625 -17.1500 -17.1500 -17.1463 -17.1463 -8.8214 -8.8214 -7.9610 -7.9610 -7.8910 -7.8910 -7.6755 -7.6755 -7.5679 -7.5679 -7.5348 -7.5348 -5.9642 -5.9642 -4.9949 -4.9949 -0.1231 -0.1231 0.0667 0.0667 0.4334 0.4334 0.7243 0.7243 1.0882 1.0882 1.3308 1.3308 1.8062 1.8062 2.2658 2.2658 2.4751 2.4751 2.6345 2.6345 2.7670 2.7670 2.8831 2.8831 3.0745 3.0745 3.2517 3.2517 3.3695 3.3695 3.4447 3.4447 3.6241 3.6241 3.8399 3.8399 5.6561 5.6561 6.0885 6.0885 7.0529 7.0529 7.2803 7.2803 7.3892 7.3892 7.6649 7.6649 10.1120 10.1120 k = 0.1494 0.2588 0.5381 ( 11726 PWs) bands (ev): -20.1409 -20.1409 -20.1391 -20.1391 -20.1378 -20.1378 -20.1370 -20.1370 -17.1727 -17.1727 -17.1690 -17.1690 -17.1667 -17.1667 -17.1626 -17.1626 -17.1501 -17.1501 -17.1462 -17.1462 -8.8414 -8.8414 -7.9250 -7.9250 -7.9022 -7.9022 -7.6682 -7.6682 -7.5600 -7.5600 -7.5313 -7.5313 -6.0037 -6.0037 -4.9754 -4.9754 -0.1328 -0.1328 0.0684 0.0684 0.3858 0.3858 0.7151 0.7151 1.0616 1.0616 1.3033 1.3033 1.8596 1.8596 2.2617 2.2617 2.5004 2.5004 2.6535 2.6535 2.7812 2.7812 2.8937 2.8937 3.0838 3.0838 3.2610 3.2610 3.3902 3.3902 3.4587 3.4587 3.6406 3.6406 3.8650 3.8650 5.6103 5.6103 6.0790 6.0790 7.0158 7.0158 7.2557 7.2557 7.3443 7.3443 7.6607 7.6607 10.1688 10.1689 k = 0.1379 0.2389 0.5381 ( 11726 PWs) bands (ev): -20.1409 -20.1409 -20.1390 -20.1390 -20.1378 -20.1378 -20.1370 -20.1370 -17.1726 -17.1726 -17.1688 -17.1688 -17.1669 -17.1669 -17.1627 -17.1627 -17.1502 -17.1502 -17.1462 -17.1462 -8.8601 -8.8601 -7.9141 -7.9141 -7.8882 -7.8882 -7.6612 -7.6612 -7.5524 -7.5524 -7.5279 -7.5279 -6.0425 -6.0425 -4.9574 -4.9574 -0.1416 -0.1416 0.0715 0.0715 0.3418 0.3418 0.7039 0.7039 1.0330 1.0330 1.2745 1.2745 1.9126 1.9126 2.2556 2.2556 2.5265 2.5265 2.6749 2.6749 2.7950 2.7950 2.9054 2.9054 3.0919 3.0919 3.2720 3.2720 3.4108 3.4108 3.4766 3.4766 3.6560 3.6560 3.8887 3.8887 5.5630 5.5630 6.0691 6.0691 6.9776 6.9776 7.2218 7.2218 7.3051 7.3051 7.6574 7.6574 10.2281 10.2281 k = 0.1264 0.2190 0.5381 ( 11734 PWs) bands (ev): -20.1410 -20.1410 -20.1390 -20.1390 -20.1379 -20.1379 -20.1370 -20.1370 -17.1724 -17.1724 -17.1686 -17.1686 -17.1671 -17.1671 -17.1628 -17.1628 -17.1503 -17.1503 -17.1461 -17.1461 -8.8775 -8.8775 -7.9241 -7.9241 -7.8533 -7.8533 -7.6544 -7.6544 -7.5454 -7.5454 -7.5247 -7.5247 -6.0803 -6.0803 -4.9406 -4.9406 -0.1497 -0.1497 0.0757 0.0757 0.3022 0.3022 0.6912 0.6912 1.0033 1.0033 1.2455 1.2455 1.9626 1.9626 2.2484 2.2484 2.5539 2.5539 2.6981 2.6981 2.8083 2.8083 2.9181 2.9181 3.0981 3.0981 3.2842 3.2842 3.4302 3.4302 3.4994 3.4994 3.6701 3.6701 3.9106 3.9106 5.5145 5.5145 6.0591 6.0591 6.9386 6.9386 7.1794 7.1794 7.2731 7.2731 7.6550 7.6550 10.2879 10.2879 k = 0.1149 0.1991 0.5381 ( 11730 PWs) bands (ev): -20.1410 -20.1410 -20.1389 -20.1389 -20.1379 -20.1379 -20.1371 -20.1371 -17.1723 -17.1723 -17.1684 -17.1684 -17.1673 -17.1673 -17.1629 -17.1629 -17.1504 -17.1504 -17.1460 -17.1460 -8.8935 -8.8935 -7.9337 -7.9337 -7.8192 -7.8192 -7.6480 -7.6480 -7.5389 -7.5389 -7.5217 -7.5217 -6.1168 -6.1168 -4.9253 -4.9253 -0.1574 -0.1574 0.0803 0.0803 0.2678 0.2678 0.6773 0.6773 0.9730 0.9730 1.2169 1.2169 2.0074 2.0074 2.2407 2.2407 2.5833 2.5833 2.7227 2.7227 2.8214 2.8214 2.9313 2.9313 3.1021 3.1021 3.2971 3.2971 3.4480 3.4480 3.5269 3.5269 3.6830 3.6830 3.9306 3.9306 5.4650 5.4650 6.0492 6.0492 6.8986 6.8986 7.1329 7.1329 7.2458 7.2458 7.6533 7.6533 10.3190 10.3190 k = 0.1034 0.1792 0.5381 ( 11718 PWs) bands (ev): -20.1410 -20.1410 -20.1388 -20.1388 -20.1379 -20.1379 -20.1371 -20.1371 -17.1721 -17.1721 -17.1682 -17.1682 -17.1676 -17.1676 -17.1630 -17.1630 -17.1505 -17.1505 -17.1460 -17.1460 -8.9082 -8.9082 -7.9425 -7.9425 -7.7864 -7.7864 -7.6420 -7.6420 -7.5331 -7.5331 -7.5188 -7.5188 -6.1517 -6.1517 -4.9114 -4.9114 -0.1649 -0.1649 0.0845 0.0845 0.2397 0.2397 0.6626 0.6626 0.9427 0.9427 1.1895 1.1895 2.0453 2.0453 2.2332 2.2332 2.6148 2.6148 2.7482 2.7482 2.8345 2.8345 2.9445 2.9445 3.1040 3.1040 3.3100 3.3100 3.4642 3.4642 3.5583 3.5583 3.6949 3.6949 3.9486 3.9486 5.4151 5.4151 6.0394 6.0394 6.8578 6.8578 7.0870 7.0870 7.2212 7.2212 7.6523 7.6523 10.3139 10.3139 k = 0.0920 0.1593 0.5381 ( 11710 PWs) bands (ev): -20.1410 -20.1410 -20.1388 -20.1388 -20.1380 -20.1380 -20.1371 -20.1371 -17.1720 -17.1720 -17.1680 -17.1680 -17.1677 -17.1677 -17.1631 -17.1631 -17.1506 -17.1506 -17.1459 -17.1459 -8.9214 -8.9214 -7.9504 -7.9504 -7.7553 -7.7553 -7.6364 -7.6364 -7.5279 -7.5279 -7.5161 -7.5161 -6.1846 -6.1846 -4.8989 -4.8989 -0.1721 -0.1721 0.0870 0.0870 0.2191 0.2191 0.6474 0.6474 0.9131 0.9131 1.1637 1.1637 2.0757 2.0757 2.2263 2.2263 2.6482 2.6482 2.7739 2.7739 2.8478 2.8478 2.9569 2.9569 3.1036 3.1036 3.3225 3.3225 3.4794 3.4794 3.5920 3.5920 3.7060 3.7060 3.9644 3.9644 5.3651 5.3651 6.0302 6.0302 6.8166 6.8166 7.0444 7.0444 7.1983 7.1983 7.6518 7.6518 10.2943 10.2943 k = 0.0805 0.1394 0.5381 ( 11710 PWs) bands (ev): -20.1410 -20.1410 -20.1387 -20.1387 -20.1380 -20.1380 -20.1371 -20.1371 -17.1718 -17.1718 -17.1681 -17.1681 -17.1676 -17.1676 -17.1632 -17.1632 -17.1507 -17.1507 -17.1459 -17.1459 -8.9332 -8.9332 -7.9576 -7.9576 -7.7265 -7.7265 -7.6312 -7.6312 -7.5234 -7.5234 -7.5135 -7.5135 -6.2152 -6.2152 -4.8878 -4.8878 -0.1793 -0.1793 0.0867 0.0867 0.2069 0.2069 0.6320 0.6320 0.8850 0.8850 1.1400 1.1400 2.0988 2.0988 2.2202 2.2202 2.6826 2.6826 2.7993 2.7993 2.8614 2.8614 2.9681 2.9681 3.1011 3.1011 3.3344 3.3344 3.4935 3.4935 3.6263 3.6263 3.7169 3.7169 3.9782 3.9782 5.3159 5.3159 6.0216 6.0216 6.7759 6.7759 7.0066 7.0066 7.1770 7.1770 7.6515 7.6515 10.2660 10.2660 k = 0.0690 0.1195 0.5381 ( 11730 PWs) bands (ev): -20.1410 -20.1410 -20.1387 -20.1387 -20.1380 -20.1380 -20.1371 -20.1371 -17.1716 -17.1716 -17.1684 -17.1684 -17.1674 -17.1674 -17.1633 -17.1633 -17.1508 -17.1508 -17.1458 -17.1458 -8.9435 -8.9435 -7.9639 -7.9639 -7.7002 -7.7002 -7.6265 -7.6265 -7.5197 -7.5197 -7.5111 -7.5111 -6.2429 -6.2429 -4.8782 -4.8782 -0.1862 -0.1862 0.0832 0.0832 0.2029 0.2029 0.6167 0.6167 0.8589 0.8589 1.1188 1.1188 2.1153 2.1153 2.2152 2.2152 2.7165 2.7165 2.8230 2.8230 2.8762 2.8762 2.9777 2.9777 3.0964 3.0964 3.3453 3.3453 3.5066 3.5066 3.6587 3.6587 3.7285 3.7285 3.9900 3.9900 5.2682 5.2682 6.0138 6.0138 6.7369 6.7369 6.9742 6.9742 7.1577 7.1577 7.6515 7.6515 10.2341 10.2341 k = 0.0575 0.0995 0.5381 ( 11734 PWs) bands (ev): -20.1411 -20.1411 -20.1386 -20.1386 -20.1380 -20.1380 -20.1371 -20.1371 -17.1714 -17.1714 -17.1686 -17.1686 -17.1672 -17.1672 -17.1635 -17.1635 -17.1508 -17.1508 -17.1458 -17.1458 -8.9522 -8.9522 -7.9692 -7.9692 -7.6772 -7.6772 -7.6220 -7.6220 -7.5167 -7.5167 -7.5089 -7.5089 -6.2675 -6.2675 -4.8700 -4.8700 -0.1928 -0.1928 0.0777 0.0777 0.2052 0.2052 0.6017 0.6017 0.8356 0.8356 1.1003 1.1003 2.1264 2.1264 2.2113 2.2113 2.7484 2.7484 2.8431 2.8431 2.8934 2.8934 2.9855 2.9855 3.0895 3.0895 3.3551 3.3551 3.5182 3.5182 3.6863 3.6863 3.7424 3.7424 4.0002 4.0002 5.2234 5.2234 6.0069 6.0069 6.7010 6.7010 6.9472 6.9472 7.1406 7.1406 7.6516 7.6516 10.2025 10.2025 k = 0.0460 0.0796 0.5381 ( 11716 PWs) bands (ev): -20.1411 -20.1411 -20.1386 -20.1386 -20.1381 -20.1381 -20.1371 -20.1371 -17.1712 -17.1712 -17.1689 -17.1689 -17.1671 -17.1671 -17.1636 -17.1636 -17.1509 -17.1509 -17.1458 -17.1458 -8.9594 -8.9594 -7.9736 -7.9736 -7.6582 -7.6582 -7.6177 -7.6177 -7.5145 -7.5145 -7.5070 -7.5070 -6.2883 -6.2883 -4.8634 -4.8634 -0.1988 -0.1988 0.0718 0.0718 0.2111 0.2111 0.5878 0.5878 0.8158 0.8158 1.0848 1.0848 2.1335 2.1335 2.2084 2.2084 2.7768 2.7768 2.8576 2.8576 2.9140 2.9140 2.9917 2.9917 3.0803 3.0803 3.3636 3.3636 3.5280 3.5280 3.7062 3.7062 3.7597 3.7597 4.0089 4.0089 5.1829 5.1829 6.0012 6.0012 6.6696 6.6696 6.9255 6.9255 7.1262 7.1262 7.6518 7.6518 10.1739 10.1739 k = 0.0345 0.0597 0.5381 ( 11710 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1710 -17.1710 -17.1692 -17.1692 -17.1669 -17.1669 -17.1637 -17.1637 -17.1509 -17.1509 -17.1458 -17.1458 -8.9649 -8.9649 -7.9771 -7.9771 -7.6438 -7.6438 -7.6132 -7.6132 -7.5130 -7.5130 -7.5054 -7.5054 -6.3051 -6.3051 -4.8582 -4.8582 -0.2039 -0.2039 0.0667 0.0667 0.2184 0.2184 0.5754 0.5754 0.7998 0.7998 1.0725 1.0725 2.1376 2.1376 2.2063 2.2063 2.8008 2.8008 2.8667 2.8667 2.9368 2.9368 2.9965 2.9965 3.0689 3.0689 3.3705 3.3705 3.5359 3.5359 3.7188 3.7188 3.7783 3.7783 4.0163 4.0163 5.1486 5.1486 5.9966 5.9966 6.6439 6.6439 6.9088 6.9088 7.1146 7.1146 7.6519 7.6519 10.1501 10.1501 k = 0.0230 0.0398 0.5381 ( 11716 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1708 -17.1708 -17.1694 -17.1694 -17.1668 -17.1668 -17.1637 -17.1637 -17.1510 -17.1510 -17.1457 -17.1457 -8.9689 -8.9689 -7.9796 -7.9796 -7.6345 -7.6345 -7.6086 -7.6086 -7.5119 -7.5119 -7.5042 -7.5042 -6.3174 -6.3174 -4.8544 -4.8544 -0.2078 -0.2078 0.0628 0.0628 0.2251 0.2251 0.5656 0.5656 0.7882 0.7882 1.0637 1.0637 2.1399 2.1399 2.2048 2.2048 2.8193 2.8193 2.8714 2.8714 2.9587 2.9587 3.0009 3.0009 3.0553 3.0553 3.3756 3.3756 3.5415 3.5415 3.7264 3.7264 3.7942 3.7942 4.0222 4.0222 5.1222 5.1222 5.9933 5.9933 6.6249 6.6249 6.8970 6.8970 7.1062 7.1062 7.6521 7.6521 10.1324 10.1324 k = 0.0115 0.0199 0.5381 ( 11716 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1706 -17.1706 -17.1696 -17.1696 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9714 -8.9714 -7.9810 -7.9810 -7.6297 -7.6297 -7.6049 -7.6049 -7.5113 -7.5113 -7.5035 -7.5035 -6.3249 -6.3249 -4.8522 -4.8522 -0.2102 -0.2102 0.0604 0.0604 0.2298 0.2298 0.5592 0.5592 0.7811 0.7811 1.0583 1.0583 2.1411 2.1411 2.2040 2.2040 2.8315 2.8315 2.8732 2.8732 2.9752 2.9752 3.0075 3.0075 3.0404 3.0404 3.3788 3.3788 3.5449 3.5449 3.7306 3.7306 3.8046 3.8046 4.0260 4.0260 5.1056 5.1056 5.9913 5.9913 6.6132 6.6132 6.8900 6.8900 7.1011 7.1011 7.6522 7.6522 10.1215 10.1215 k = 0.0000 0.0000 0.5381 ( 11728 PWs) bands (ev): -20.1411 -20.1411 -20.1385 -20.1385 -20.1381 -20.1381 -20.1372 -20.1372 -17.1705 -17.1705 -17.1697 -17.1697 -17.1667 -17.1667 -17.1638 -17.1638 -17.1510 -17.1510 -17.1457 -17.1457 -8.9722 -8.9722 -7.9815 -7.9815 -7.6282 -7.6282 -7.6035 -7.6035 -7.5111 -7.5111 -7.5033 -7.5033 -6.3274 -6.3274 -4.8515 -4.8515 -0.2111 -0.2111 0.0597 0.0597 0.2314 0.2314 0.5570 0.5570 0.7787 0.7787 1.0565 1.0565 2.1414 2.1414 2.2037 2.2037 2.8359 2.8359 2.8735 2.8735 2.9811 2.9811 3.0150 3.0150 3.0298 3.0298 3.3799 3.3799 3.5461 3.5461 3.7320 3.7320 3.8082 3.8082 4.0274 4.0274 5.0999 5.0999 5.9906 5.9906 6.6093 6.6093 6.8877 6.8877 7.0993 7.0993 7.6522 7.6522 10.1178 10.1178 k = 0.5000 0.2887 0.5381 ( 11732 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6243 -8.6243 -8.2662 -8.2662 -7.7707 -7.7707 -7.6962 -7.6962 -7.6680 -7.6680 -7.5624 -7.5624 -5.6768 -5.6768 -5.1679 -5.1679 -0.2303 -0.2303 0.4874 0.4874 0.7018 0.7018 0.7919 0.7919 1.0897 1.0897 1.3356 1.3356 1.7548 1.7548 1.8725 1.8725 2.4608 2.4608 2.5377 2.5377 2.6122 2.6122 2.8486 2.8486 3.0671 3.0671 3.1621 3.1621 3.3418 3.3418 3.3627 3.3627 3.5058 3.5058 3.7912 3.7912 5.7807 5.7807 6.1220 6.1220 7.1865 7.1865 7.5000 7.5000 7.7093 7.7093 7.7802 7.7802 9.6919 9.6919 k = 0.5000 0.2887 0.5147 ( 11754 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6248 -8.6248 -8.2667 -8.2667 -7.7698 -7.7698 -7.6966 -7.6966 -7.6674 -7.6674 -7.5618 -7.5618 -5.6769 -5.6769 -5.1683 -5.1683 -0.2291 -0.2291 0.4867 0.4867 0.6985 0.6985 0.7917 0.7917 1.0890 1.0890 1.3377 1.3377 1.7556 1.7556 1.8737 1.8737 2.4562 2.4562 2.5340 2.5340 2.6225 2.6225 2.8481 2.8481 3.0609 3.0609 3.1639 3.1639 3.3388 3.3388 3.3669 3.3669 3.5076 3.5076 3.7907 3.7907 5.7814 5.7814 6.1226 6.1226 7.1877 7.1877 7.4975 7.4975 7.7069 7.7069 7.7793 7.7793 9.6875 9.6875 k = 0.5000 0.2887 0.4913 ( 11750 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6263 -8.6263 -8.2682 -8.2682 -7.7673 -7.7673 -7.6979 -7.6979 -7.6657 -7.6657 -7.5603 -7.5603 -5.6769 -5.6769 -5.1696 -5.1696 -0.2256 -0.2256 0.4846 0.4846 0.6891 0.6891 0.7904 0.7904 1.0871 1.0871 1.3440 1.3440 1.7581 1.7581 1.8772 1.8772 2.4435 2.4435 2.5279 2.5279 2.6466 2.6466 2.8469 2.8469 3.0454 3.0454 3.1663 3.1663 3.3341 3.3341 3.3760 3.3760 3.5129 3.5129 3.7890 3.7890 5.7835 5.7835 6.1244 6.1244 7.1915 7.1915 7.4903 7.4903 7.6997 7.6997 7.7766 7.7766 9.6750 9.6750 k = 0.5000 0.2887 0.4679 ( 11766 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6287 -8.6287 -8.2706 -8.2706 -7.7632 -7.7632 -7.7001 -7.7001 -7.6627 -7.6627 -7.5579 -7.5579 -5.6770 -5.6770 -5.1717 -5.1717 -0.2197 -0.2197 0.4812 0.4812 0.6751 0.6751 0.7873 0.7873 1.0839 1.0839 1.3538 1.3538 1.7628 1.7628 1.8827 1.8827 2.4261 2.4261 2.5237 2.5237 2.6757 2.6757 2.8457 2.8457 3.0250 3.0250 3.1644 3.1644 3.3305 3.3305 3.3882 3.3882 3.5209 3.5209 3.7864 3.7864 5.7870 5.7870 6.1268 6.1268 7.1981 7.1981 7.4790 7.4790 7.6881 7.6881 7.7718 7.7718 9.6560 9.6560 k = 0.5000 0.2887 0.4445 ( 11748 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6320 -8.6320 -8.2739 -8.2739 -7.7576 -7.7576 -7.7031 -7.7031 -7.6586 -7.6586 -7.5547 -7.5547 -5.6771 -5.6771 -5.1747 -5.1747 -0.2116 -0.2116 0.4765 0.4765 0.6579 0.6579 0.7815 0.7815 1.0796 1.0796 1.3664 1.3664 1.7699 1.7699 1.8899 1.8899 2.4074 2.4074 2.5209 2.5209 2.7042 2.7042 2.8464 2.8464 3.0026 3.0026 3.1572 3.1572 3.3267 3.3267 3.4050 3.4050 3.5307 3.5307 3.7833 3.7833 5.7917 5.7917 6.1291 6.1291 7.2079 7.2079 7.4644 7.4644 7.6723 7.6723 7.7650 7.7650 9.6318 9.6318 k = 0.5000 0.2887 0.4211 ( 11764 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6361 -8.6361 -8.2780 -8.2780 -7.7506 -7.7506 -7.7068 -7.7068 -7.6532 -7.6532 -7.5510 -7.5510 -5.6772 -5.6772 -5.1784 -5.1784 -0.2013 -0.2013 0.4705 0.4705 0.6387 0.6387 0.7728 0.7728 1.0740 1.0740 1.3810 1.3810 1.7799 1.7799 1.8988 1.8988 2.3893 2.3893 2.5184 2.5184 2.7267 2.7267 2.8523 2.8523 2.9797 2.9797 3.1461 3.1461 3.3214 3.3214 3.4264 3.4264 3.5410 3.5410 3.7801 3.7801 5.7974 5.7974 6.1303 6.1303 7.2210 7.2210 7.4477 7.4477 7.6528 7.6528 7.7562 7.7562 9.6030 9.6030 k = 0.5000 0.2887 0.3977 ( 11760 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6408 -8.6408 -8.2827 -8.2827 -7.7424 -7.7424 -7.7110 -7.7110 -7.6469 -7.6469 -7.5468 -7.5468 -5.6774 -5.6774 -5.1827 -5.1827 -0.1889 -0.1889 0.4633 0.4633 0.6186 0.6186 0.7614 0.7614 1.0670 1.0670 1.3969 1.3969 1.7922 1.7922 1.9093 1.9093 2.3727 2.3727 2.5154 2.5154 2.7384 2.7384 2.8667 2.8667 2.9574 2.9574 3.1337 3.1337 3.3147 3.3147 3.4512 3.4512 3.5509 3.5509 3.7772 3.7772 5.8039 5.8039 6.1297 6.1297 7.2369 7.2369 7.4308 7.4308 7.6299 7.6299 7.7454 7.7454 9.5702 9.5702 k = 0.5000 0.2887 0.3743 ( 11756 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6461 -8.6461 -8.2879 -8.2879 -7.7332 -7.7332 -7.7156 -7.7156 -7.6396 -7.6396 -7.5423 -7.5423 -5.6776 -5.6776 -5.1877 -5.1877 -0.1746 -0.1746 0.4549 0.4549 0.5984 0.5984 0.7475 0.7475 1.0585 1.0585 1.4136 1.4136 1.8062 1.8062 1.9221 1.9221 2.3582 2.3582 2.5111 2.5111 2.7393 2.7393 2.8872 2.8872 2.9373 2.9373 3.1220 3.1220 3.3073 3.3073 3.4777 3.4777 3.5599 3.5599 3.7752 3.7752 5.8110 5.8110 6.1264 6.1264 7.2542 7.2542 7.4162 7.4162 7.6042 7.6042 7.7330 7.7330 9.5341 9.5341 k = 0.5000 0.2887 0.3509 ( 11750 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6518 -8.6518 -8.2936 -8.2936 -7.7234 -7.7234 -7.7202 -7.7202 -7.6317 -7.6317 -7.5376 -7.5376 -5.6778 -5.6778 -5.1933 -5.1933 -0.1586 -0.1586 0.4454 0.4454 0.5787 0.5787 0.7317 0.7317 1.0483 1.0483 1.4309 1.4309 1.8204 1.8204 1.9379 1.9379 2.3455 2.3455 2.5051 2.5051 2.7331 2.7331 2.8970 2.8970 2.9315 2.9315 3.1133 3.1133 3.3002 3.3002 3.5043 3.5043 3.5680 3.5680 3.7743 3.7743 5.8185 5.8185 6.1200 6.1200 7.2690 7.2690 7.4084 7.4084 7.5763 7.5763 7.7194 7.7194 9.4952 9.4952 k = 0.5000 0.2887 0.3275 ( 11748 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1723 -17.1723 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6579 -8.6579 -8.2995 -8.2995 -7.7257 -7.7257 -7.7122 -7.7122 -7.6233 -7.6233 -7.5330 -7.5330 -5.6780 -5.6780 -5.1992 -5.1992 -0.1412 -0.1412 0.4348 0.4348 0.5601 0.5601 0.7145 0.7145 1.0365 1.0365 1.4485 1.4485 1.8332 1.8332 1.9573 1.9573 2.3347 2.3347 2.4975 2.4975 2.7228 2.7228 2.8822 2.8822 2.9491 2.9491 3.1092 3.1092 3.2942 3.2942 3.5294 3.5294 3.5755 3.5755 3.7747 3.7747 5.8263 5.8263 6.1105 6.1105 7.2756 7.2756 7.4127 7.4127 7.5468 7.5468 7.7056 7.7056 9.4543 9.4543 k = 0.5000 0.2887 0.3041 ( 11732 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6641 -8.6641 -8.3056 -8.3056 -7.7307 -7.7307 -7.7010 -7.7010 -7.6145 -7.6145 -7.5284 -7.5284 -5.6782 -5.6782 -5.2055 -5.2055 -0.1224 -0.1224 0.4233 0.4233 0.5429 0.5429 0.6965 0.6965 1.0232 1.0232 1.4662 1.4662 1.8436 1.8436 1.9805 1.9805 2.3254 2.3254 2.4887 2.4887 2.7106 2.7106 2.8624 2.8624 2.9671 2.9671 3.1112 3.1112 3.2900 3.2900 3.5511 3.5511 3.5841 3.5841 3.7765 3.7765 5.8340 5.8340 6.0980 6.0980 7.2716 7.2716 7.4300 7.4300 7.5171 7.5171 7.6927 7.6927 9.4122 9.4122 k = 0.5000 0.2887 0.2807 ( 11724 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6703 -8.6703 -8.3117 -8.3117 -7.7356 -7.7356 -7.6895 -7.6895 -7.6056 -7.6056 -7.5239 -7.5239 -5.6785 -5.6785 -5.2120 -5.2120 -0.1027 -0.1027 0.4110 0.4110 0.5274 0.5274 0.6782 0.6782 1.0089 1.0089 1.4838 1.4838 1.8510 1.8510 2.0065 2.0065 2.3176 2.3176 2.4793 2.4793 2.6973 2.6973 2.8422 2.8422 2.9797 2.9797 3.1187 3.1187 3.2886 3.2886 3.5663 3.5663 3.5965 3.5965 3.7796 3.7796 5.8417 5.8417 6.0829 6.0829 7.2604 7.2604 7.4496 7.4496 7.4925 7.4925 7.6831 7.6831 9.3696 9.3696 k = 0.5000 0.2887 0.2573 ( 11738 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6765 -8.6765 -8.3177 -8.3177 -7.7404 -7.7404 -7.6781 -7.6781 -7.5966 -7.5966 -7.5197 -7.5197 -5.6787 -5.6787 -5.2186 -5.2186 -0.0824 -0.0824 0.3984 0.3984 0.5136 0.5136 0.6601 0.6601 0.9938 0.9938 1.5008 1.5008 1.8558 1.8558 2.0336 2.0336 2.3114 2.3114 2.4706 2.4706 2.6835 2.6835 2.8225 2.8225 2.9873 2.9873 3.1284 3.1284 3.2910 3.2910 3.5746 3.5746 3.6130 3.6130 3.7838 3.7838 5.8491 5.8491 6.0659 6.0659 7.2460 7.2460 7.4399 7.4399 7.4972 7.4972 7.6807 7.6807 9.3273 9.3273 k = 0.5000 0.2887 0.2340 ( 11742 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6825 -8.6825 -8.3236 -8.3236 -7.7450 -7.7450 -7.6668 -7.6668 -7.5878 -7.5878 -7.5157 -7.5157 -5.6790 -5.6790 -5.2252 -5.2252 -0.0618 -0.0618 0.3857 0.3857 0.5015 0.5015 0.6426 0.6426 0.9783 0.9783 1.5169 1.5169 1.8588 1.8588 2.0593 2.0593 2.3072 2.3072 2.4639 2.4639 2.6695 2.6695 2.8036 2.8036 2.9917 2.9917 3.1367 3.1367 3.2983 3.2983 3.5790 3.5790 3.6308 3.6308 3.7888 3.7888 5.8563 5.8563 6.0476 6.0476 7.2310 7.2310 7.4111 7.4111 7.5131 7.5131 7.6905 7.6905 9.2861 9.2861 k = 0.5000 0.2887 0.2106 ( 11742 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6883 -8.6883 -8.3291 -8.3291 -7.7493 -7.7493 -7.6559 -7.6559 -7.5793 -7.5793 -7.5121 -7.5121 -5.6793 -5.6793 -5.2316 -5.2316 -0.0414 -0.0414 0.3733 0.3733 0.4910 0.4910 0.6261 0.6261 0.9628 0.9628 1.5315 1.5315 1.8608 1.8608 2.0809 2.0809 2.3058 2.3058 2.4604 2.4604 2.6555 2.6555 2.7858 2.7858 2.9943 2.9943 3.1413 3.1413 3.3106 3.3106 3.5808 3.5808 3.6481 3.6481 3.7943 3.7943 5.8632 5.8632 6.0290 6.0290 7.2166 7.2166 7.3801 7.3801 7.5197 7.5197 7.7148 7.7148 9.2467 9.2467 k = 0.5000 0.2887 0.1872 ( 11734 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6937 -8.6937 -8.3343 -8.3343 -7.7532 -7.7532 -7.6456 -7.6456 -7.5712 -7.5712 -7.5089 -7.5089 -5.6795 -5.6795 -5.2378 -5.2378 -0.0216 -0.0216 0.3614 0.3614 0.4819 0.4819 0.6110 0.6110 0.9478 0.9478 1.5440 1.5440 1.8628 1.8628 2.0960 2.0960 2.3079 2.3079 2.4616 2.4616 2.6415 2.6415 2.7693 2.7693 2.9954 2.9954 3.1422 3.1422 3.3269 3.3269 3.5806 3.5806 3.6647 3.6647 3.7998 3.7998 5.8698 5.8698 6.0105 6.0105 7.2034 7.2034 7.3495 7.3495 7.5172 7.5172 7.7500 7.7500 9.2095 9.2095 k = 0.5000 0.2887 0.1638 ( 11750 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.6986 -8.6986 -8.3390 -8.3390 -7.7568 -7.7568 -7.6361 -7.6361 -7.5637 -7.5637 -7.5061 -7.5061 -5.6797 -5.6797 -5.2435 -5.2435 -0.0028 -0.0028 0.3505 0.3505 0.4743 0.4743 0.5974 0.5974 0.9336 0.9336 1.5539 1.5539 1.8658 1.8658 2.1029 2.1029 2.3134 2.3134 2.4683 2.4683 2.6278 2.6278 2.7542 2.7542 2.9948 2.9948 3.1408 3.1408 3.3455 3.3455 3.5783 3.5783 3.6803 3.6803 3.8051 3.8051 5.8760 5.8760 5.9929 5.9929 7.1918 7.1918 7.3202 7.3202 7.5097 7.5097 7.7901 7.7901 9.1753 9.1753 k = 0.5000 0.2887 0.1404 ( 11734 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7030 -8.7030 -8.3433 -8.3433 -7.7599 -7.7599 -7.6275 -7.6275 -7.5568 -7.5568 -7.5037 -7.5037 -5.6799 -5.6799 -5.2488 -5.2488 0.0145 0.0145 0.3407 0.3407 0.4679 0.4679 0.5855 0.5855 0.9205 0.9205 1.5607 1.5607 1.8708 1.8708 2.1019 2.1019 2.3211 2.3211 2.4808 2.4808 2.6147 2.6147 2.7403 2.7403 2.9923 2.9923 3.1387 3.1387 3.3649 3.3649 3.5741 3.5741 3.6948 3.6948 3.8098 3.8098 5.8818 5.8818 5.9766 5.9766 7.1820 7.1820 7.2926 7.2926 7.5005 7.5005 7.8307 7.8307 9.1446 9.1446 k = 0.5000 0.2887 0.1170 ( 11738 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7069 -8.7069 -8.3470 -8.3470 -7.7627 -7.7627 -7.6199 -7.6199 -7.5507 -7.5507 -7.5017 -7.5017 -5.6801 -5.6801 -5.2534 -5.2534 0.0299 0.0299 0.3322 0.3322 0.4628 0.4628 0.5754 0.5754 0.9089 0.9089 1.5644 1.5644 1.8784 1.8784 2.0945 2.0945 2.3296 2.3296 2.4981 2.4981 2.6032 2.6032 2.7271 2.7271 2.9880 2.9880 3.1368 3.1368 3.3840 3.3840 3.5683 3.5683 3.7079 3.7079 3.8138 3.8138 5.8873 5.8873 5.9620 5.9620 7.1743 7.1743 7.2673 7.2673 7.4914 7.4914 7.8689 7.8689 9.1177 9.1177 k = 0.5000 0.2887 0.0936 ( 11742 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7101 -8.7101 -8.3500 -8.3500 -7.7649 -7.7649 -7.6135 -7.6135 -7.5455 -7.5455 -7.5002 -7.5002 -5.6803 -5.6803 -5.2574 -5.2574 0.0430 0.0430 0.3252 0.3252 0.4588 0.4588 0.5672 0.5672 0.8991 0.8991 1.5657 1.5657 1.8884 1.8884 2.0828 2.0828 2.3376 2.3376 2.5171 2.5171 2.5950 2.5950 2.7138 2.7138 2.9824 2.9824 3.1356 3.1356 3.4020 3.4020 3.5614 3.5614 3.7191 3.7191 3.8170 3.8170 5.8924 5.8924 5.9493 5.9493 7.1688 7.1688 7.2446 7.2446 7.4833 7.4833 7.9026 7.9026 9.0950 9.0950 k = 0.5000 0.2887 0.0702 ( 11748 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7126 -8.7126 -8.3525 -8.3525 -7.7667 -7.7667 -7.6085 -7.6085 -7.5413 -7.5413 -7.4990 -7.4990 -5.6804 -5.6804 -5.2605 -5.2605 0.0535 0.0535 0.3196 0.3196 0.4558 0.4558 0.5609 0.5609 0.8912 0.8912 1.5652 1.5652 1.9000 1.9000 2.0689 2.0689 2.3445 2.3445 2.5327 2.5327 2.5942 2.5942 2.6998 2.6998 2.9765 2.9765 3.1351 3.1351 3.4180 3.4180 3.5540 3.5540 3.7283 3.7283 3.8193 3.8193 5.8972 5.8972 5.9386 5.9386 7.1658 7.1658 7.2251 7.2251 7.4767 7.4767 7.9303 7.9303 9.0770 9.0770 k = 0.5000 0.2887 0.0468 ( 11738 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7144 -8.7144 -8.3542 -8.3542 -7.7680 -7.7680 -7.6048 -7.6048 -7.5382 -7.5382 -7.4983 -7.4983 -5.6805 -5.6805 -5.2628 -5.2628 0.0611 0.0611 0.3156 0.3156 0.4538 0.4538 0.5564 0.5564 0.8854 0.8854 1.5640 1.5640 1.9118 1.9118 2.0553 2.0553 2.3499 2.3499 2.5396 2.5396 2.6046 2.6046 2.6844 2.6844 2.9712 2.9712 3.1351 3.1351 3.4311 3.4311 3.5470 3.5470 3.7349 3.7349 3.8210 3.8210 5.9016 5.9016 5.9299 5.9299 7.1650 7.1650 7.2093 7.2093 7.4719 7.4719 7.9509 7.9509 9.0639 9.0639 k = 0.5000 0.2887 0.0234 ( 11734 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7155 -8.7155 -8.3553 -8.3553 -7.7688 -7.7688 -7.6026 -7.6026 -7.5363 -7.5363 -7.4978 -7.4978 -5.6806 -5.6806 -5.2642 -5.2642 0.0658 0.0658 0.3132 0.3132 0.4527 0.4527 0.5537 0.5537 0.8819 0.8819 1.5628 1.5628 1.9212 1.9212 2.0447 2.0447 2.3534 2.3534 2.5404 2.5404 2.6222 2.6222 2.6677 2.6677 2.9675 2.9675 3.1352 3.1352 3.4399 3.4399 3.5418 3.5418 3.7390 3.7390 3.8219 3.8219 5.9055 5.9055 5.9235 5.9235 7.1660 7.1660 7.1982 7.1982 7.4690 7.4690 7.9636 7.9636 9.0560 9.0560 k = 0.5000 0.2887-0.0000 ( 11718 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1373 -20.1373 -20.1372 -20.1372 -17.1722 -17.1722 -17.1720 -17.1720 -17.1641 -17.1641 -17.1630 -17.1630 -17.1489 -17.1489 -17.1471 -17.1471 -8.7159 -8.7159 -8.3556 -8.3556 -7.7690 -7.7690 -7.6018 -7.6018 -7.5357 -7.5357 -7.4977 -7.4977 -5.6806 -5.6806 -5.2647 -5.2647 0.0673 0.0673 0.3124 0.3124 0.4523 0.4523 0.5528 0.5528 0.8807 0.8807 1.5624 1.5624 1.9249 1.9249 2.0406 2.0406 2.3546 2.3546 2.5401 2.5401 2.6351 2.6351 2.6557 2.6557 2.9662 2.9662 3.1352 3.1352 3.4431 3.4431 3.5398 3.5398 3.7404 3.7404 3.8222 3.8222 5.9074 5.9074 5.9208 5.9208 7.1669 7.1669 7.1940 7.1940 7.4680 7.4680 7.9679 7.9679 9.0533 9.0533 k = 0.3333 0.5774-0.0000 ( 11757 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5324 -8.5324 -8.5247 -8.5247 -7.8806 -7.8806 -7.5707 -7.5707 -7.5671 -7.5671 -7.4386 -7.4386 -5.4513 -5.4513 -5.4468 -5.4468 0.1695 0.1695 0.1877 0.1877 0.3179 0.3179 0.7497 0.7497 0.8386 0.8386 1.4972 1.4972 1.7991 1.7991 2.0778 2.0778 2.2914 2.2914 2.4366 2.4366 2.8267 2.8267 2.8946 2.8946 2.9812 2.9812 3.1994 3.1994 3.3415 3.3415 3.6315 3.6315 3.7446 3.7446 3.8718 3.8718 5.7618 5.7618 5.8175 5.8175 7.0214 7.0214 7.2766 7.2766 7.5322 7.5322 7.7228 7.7228 9.3484 9.3484 k = 0.3333 0.5774 0.0234 ( 11748 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5309 -8.5309 -8.5231 -8.5231 -7.8821 -7.8821 -7.5745 -7.5745 -7.5710 -7.5710 -7.4366 -7.4366 -5.4465 -5.4465 -5.4420 -5.4420 0.1449 0.1449 0.1698 0.1698 0.3005 0.3005 0.7413 0.7413 0.8263 0.8263 1.4983 1.4983 1.8210 1.8210 2.1236 2.1236 2.2968 2.2968 2.4657 2.4657 2.8179 2.8179 2.8960 2.8960 2.9816 2.9816 3.2225 3.2225 3.3440 3.3440 3.6544 3.6544 3.7519 3.7519 3.8884 3.8884 5.7379 5.7379 5.7924 5.7924 6.9889 6.9889 7.2412 7.2412 7.4966 7.4966 7.6791 7.6791 9.3276 9.3276 k = 0.3333 0.5774 0.0468 ( 11733 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5287 -8.5287 -8.5209 -8.5209 -7.8828 -7.8828 -7.5794 -7.5794 -7.5760 -7.5760 -7.4355 -7.4355 -5.4414 -5.4414 -5.4369 -5.4369 0.1220 0.1220 0.1526 0.1526 0.2836 0.2836 0.7349 0.7349 0.8164 0.8164 1.5003 1.5003 1.8424 1.8424 2.1677 2.1677 2.3026 2.3026 2.4924 2.4924 2.8107 2.8107 2.8971 2.8971 2.9800 2.9800 3.2443 3.2443 3.3478 3.3478 3.6726 3.6726 3.7583 3.7583 3.9012 3.9012 5.7180 5.7180 5.7696 5.7696 6.9580 6.9580 7.2111 7.2111 7.4615 7.4615 7.6358 7.6358 9.3107 9.3107 k = 0.3333 0.5774 0.0702 ( 11727 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5259 -8.5259 -8.5181 -8.5181 -7.8828 -7.8828 -7.5853 -7.5853 -7.5820 -7.5820 -7.4354 -7.4354 -5.4360 -5.4360 -5.4315 -5.4315 0.1009 0.1009 0.1365 0.1365 0.2674 0.2674 0.7306 0.7306 0.8088 0.8088 1.5033 1.5033 1.8623 1.8623 2.2093 2.2093 2.3093 2.3093 2.5155 2.5155 2.8054 2.8054 2.8983 2.8983 2.9761 2.9761 3.2649 3.2649 3.3526 3.3526 3.6859 3.6859 3.7638 3.7638 3.9099 3.9099 5.7024 5.7024 5.7494 5.7494 6.9290 6.9290 7.1865 7.1865 7.4273 7.4273 7.5938 7.5938 9.2979 9.2979 k = 0.3333 0.5774 0.0936 ( 11724 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5225 -8.5225 -8.5146 -8.5146 -7.8818 -7.8818 -7.5922 -7.5922 -7.5889 -7.5889 -7.4362 -7.4362 -5.4306 -5.4306 -5.4259 -5.4259 0.0821 0.0821 0.1217 0.1217 0.2521 0.2521 0.7287 0.7287 0.8037 0.8037 1.5076 1.5076 1.8796 1.8796 2.2474 2.2474 2.3179 2.3179 2.5341 2.5341 2.8025 2.8025 2.8996 2.8996 2.9699 2.9699 3.2844 3.2844 3.3577 3.3577 3.6941 3.6941 3.7682 3.7682 3.9144 3.9144 5.6912 5.6912 5.7320 5.7320 6.9027 6.9027 7.1674 7.1674 7.3950 7.3950 7.5543 7.5543 9.2891 9.2891 k = 0.3333 0.5774 0.1170 ( 11715 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5185 -8.5185 -8.5106 -8.5106 -7.8801 -7.8801 -7.5999 -7.5999 -7.5967 -7.5967 -7.4381 -7.4381 -5.4251 -5.4251 -5.4204 -5.4204 0.0656 0.0656 0.1083 0.1083 0.2380 0.2380 0.7291 0.7291 0.8010 0.8010 1.5132 1.5132 1.8933 1.8933 2.2794 2.2794 2.3312 2.3312 2.5468 2.5468 2.8024 2.8024 2.9010 2.9010 2.9615 2.9615 3.3029 3.3029 3.3625 3.3625 3.6975 3.6975 3.7715 3.7715 3.9144 3.9144 5.6846 5.6846 5.7177 5.7177 6.8799 6.8799 7.1536 7.1536 7.3649 7.3649 7.5183 7.5183 9.2845 9.2845 k = 0.3333 0.5774 0.1404 ( 11733 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5140 -8.5140 -8.5060 -8.5060 -7.8776 -7.8776 -7.6083 -7.6083 -7.6052 -7.6052 -7.4409 -7.4409 -5.4196 -5.4196 -5.4149 -5.4149 0.0516 0.0516 0.0965 0.0965 0.2253 0.2253 0.7320 0.7320 0.8009 0.8009 1.5203 1.5203 1.9025 1.9025 2.3020 2.3020 2.3530 2.3530 2.5531 2.5531 2.8052 2.8052 2.9023 2.9023 2.9510 2.9510 3.3203 3.3203 3.3662 3.3662 3.6962 3.6962 3.7735 3.7735 3.9100 3.9100 5.6825 5.6825 5.7068 5.7068 6.8614 6.8614 7.1442 7.1442 7.3379 7.3379 7.4870 7.4870 9.2839 9.2839 k = 0.3333 0.5774 0.1638 ( 11712 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5091 -8.5091 -8.5010 -8.5010 -7.8743 -7.8743 -7.6173 -7.6173 -7.6142 -7.6142 -7.4447 -7.4447 -5.4144 -5.4144 -5.4095 -5.4095 0.0403 0.0403 0.0864 0.0864 0.2140 0.2140 0.7374 0.7374 0.8031 0.8031 1.5289 1.5289 1.9065 1.9065 2.3166 2.3166 2.3823 2.3823 2.5526 2.5526 2.8110 2.8110 2.9032 2.9032 2.9384 2.9384 3.3365 3.3365 3.3680 3.3680 3.6905 3.6905 3.7743 3.7743 3.9014 3.9014 5.6847 5.6847 5.6996 5.6996 6.8477 6.8477 7.1386 7.1386 7.3145 7.3145 7.4615 7.4615 9.2873 9.2873 k = 0.3333 0.5774 0.1872 ( 11724 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.5037 -8.5037 -8.4957 -8.4957 -7.8702 -7.8702 -7.6266 -7.6266 -7.6236 -7.6236 -7.4494 -7.4494 -5.4094 -5.4094 -5.4045 -5.4045 0.0317 0.0317 0.0781 0.0781 0.2043 0.2043 0.7454 0.7454 0.8077 0.8077 1.5391 1.5391 1.9049 1.9049 2.3276 2.3276 2.4147 2.4147 2.5455 2.5455 2.8193 2.8193 2.9032 2.9032 2.9242 2.9242 3.3512 3.3512 3.3673 3.3673 3.6805 3.6805 3.7737 3.7737 3.8887 3.8887 5.6911 5.6911 5.6965 5.6965 6.8395 6.8395 7.1359 7.1359 7.2952 7.2952 7.4429 7.4429 9.2946 9.2946 k = 0.3333 0.5774 0.2106 ( 11715 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4981 -8.4981 -8.4900 -8.4900 -7.8654 -7.8654 -7.6363 -7.6363 -7.6333 -7.6333 -7.4549 -7.4549 -5.4048 -5.4048 -5.3998 -5.3998 0.0259 0.0259 0.0717 0.0717 0.1964 0.1964 0.7559 0.7559 0.8147 0.8147 1.5510 1.5510 1.8979 1.8979 2.3371 2.3371 2.4479 2.4479 2.5325 2.5325 2.8295 2.8295 2.9011 2.9011 2.9093 2.9093 3.3636 3.3636 3.3640 3.3640 3.6665 3.6665 3.7716 3.7716 3.8723 3.8723 5.6978 5.6978 5.7015 5.7015 6.8369 6.8369 7.1357 7.1357 7.2804 7.2804 7.4318 7.4318 9.3057 9.3057 k = 0.3333 0.5774 0.2340 ( 11733 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4923 -8.4923 -8.4842 -8.4842 -7.8599 -7.8599 -7.6460 -7.6460 -7.6430 -7.6430 -7.4613 -7.4613 -5.4007 -5.4007 -5.3955 -5.3955 0.0229 0.0229 0.0672 0.0672 0.1904 0.1904 0.7689 0.7689 0.8238 0.8238 1.5646 1.5646 1.8857 1.8857 2.3452 2.3452 2.4812 2.4812 2.5143 2.5143 2.8410 2.8410 2.8886 2.8886 2.9020 2.9020 3.3568 3.3568 3.3743 3.3743 3.6489 3.6489 3.7680 3.7680 3.8526 3.8526 5.7037 5.7037 5.7155 5.7155 6.8400 6.8400 7.1380 7.1380 7.2706 7.2706 7.4285 7.4285 9.3204 9.3204 k = 0.3333 0.5774 0.2573 ( 11733 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4864 -8.4864 -8.4782 -8.4782 -7.8537 -7.8537 -7.6556 -7.6556 -7.6527 -7.6527 -7.4685 -7.4685 -5.3971 -5.3971 -5.3918 -5.3918 0.0228 0.0228 0.0647 0.0647 0.1863 0.1863 0.7844 0.7844 0.8350 0.8350 1.5798 1.5798 1.8692 1.8692 2.3515 2.3515 2.4915 2.4915 2.5139 2.5139 2.8534 2.8534 2.8702 2.8702 2.8982 2.8982 3.3471 3.3471 3.3818 3.3818 3.6278 3.6278 3.7624 3.7624 3.8299 3.8299 5.7146 5.7146 5.7330 5.7330 6.8486 6.8486 7.1430 7.1430 7.2658 7.2658 7.4326 7.4326 9.3386 9.3386 k = 0.3333 0.5774 0.2807 ( 11739 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4805 -8.4805 -8.4723 -8.4723 -7.8470 -7.8470 -7.6650 -7.6650 -7.6620 -7.6620 -7.4764 -7.4764 -5.3941 -5.3941 -5.3887 -5.3887 0.0254 0.0254 0.0641 0.0641 0.1842 0.1842 0.8023 0.8023 0.8480 0.8480 1.5968 1.5968 1.8489 1.8489 2.3554 2.3554 2.4649 2.4649 2.5451 2.5451 2.8505 2.8505 2.8664 2.8664 2.8935 2.8935 3.3348 3.3348 3.3860 3.3860 3.6039 3.6039 3.7546 3.7546 3.8047 3.8047 5.7304 5.7304 5.7538 5.7538 6.8625 6.8625 7.1515 7.1515 7.2662 7.2662 7.4433 7.4433 9.3600 9.3600 k = 0.3333 0.5774 0.3041 ( 11751 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4748 -8.4748 -8.4665 -8.4665 -7.8396 -7.8396 -7.6740 -7.6740 -7.6709 -7.6709 -7.4850 -7.4850 -5.3917 -5.3917 -5.3862 -5.3862 0.0307 0.0307 0.0655 0.0655 0.1842 0.1842 0.8224 0.8224 0.8628 0.8628 1.6154 1.6154 1.8257 1.8257 2.3563 2.3563 2.4352 2.4352 2.5733 2.5733 2.8305 2.8305 2.8797 2.8797 2.8881 2.8881 3.3208 3.3208 3.3866 3.3866 3.5777 3.5777 3.7442 3.7442 3.7772 3.7772 5.7511 5.7511 5.7777 5.7777 6.8814 6.8814 7.1643 7.1643 7.2718 7.2718 7.4595 7.4595 9.3843 9.3843 k = 0.3333 0.5774 0.3275 ( 11754 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4692 -8.4692 -8.4610 -8.4610 -7.8317 -7.8317 -7.6823 -7.6823 -7.6792 -7.6792 -7.4941 -7.4941 -5.3901 -5.3901 -5.3844 -5.3844 0.0387 0.0387 0.0689 0.0689 0.1863 0.1863 0.8445 0.8445 0.8790 0.8790 1.6356 1.6356 1.8001 1.8001 2.3538 2.3538 2.4028 2.4028 2.5963 2.5963 2.8114 2.8114 2.8825 2.8825 2.8932 2.8932 3.3062 3.3062 3.3834 3.3834 3.5498 3.5498 3.7309 3.7309 3.7478 3.7478 5.7764 5.7764 5.8045 5.8045 6.9052 6.9052 7.1818 7.1818 7.2823 7.2823 7.4801 7.4801 9.4115 9.4115 k = 0.3333 0.5774 0.3509 ( 11751 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4641 -8.4641 -8.4559 -8.4559 -7.8235 -7.8235 -7.6899 -7.6899 -7.6866 -7.6866 -7.5037 -7.5037 -5.3891 -5.3891 -5.3834 -5.3834 0.0491 0.0491 0.0741 0.0741 0.1905 0.1905 0.8682 0.8682 0.8964 0.8964 1.6574 1.6574 1.7729 1.7729 2.3473 2.3473 2.3684 2.3684 2.6112 2.6112 2.7949 2.7949 2.8773 2.8773 2.9066 2.9066 3.2921 3.2921 3.3765 3.3765 3.5209 3.5209 3.7144 3.7144 3.7169 3.7169 5.8057 5.8057 5.8337 5.8337 6.9334 6.9334 7.2046 7.2046 7.2975 7.2975 7.5039 7.5039 9.4410 9.4410 k = 0.3333 0.5774 0.3743 ( 11775 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4594 -8.4594 -8.4513 -8.4513 -7.8149 -7.8149 -7.6965 -7.6965 -7.6931 -7.6931 -7.5136 -7.5136 -5.3889 -5.3889 -5.3830 -5.3830 0.0620 0.0620 0.0812 0.0812 0.1970 0.1970 0.8934 0.8934 0.9147 0.9147 1.6805 1.6805 1.7448 1.7448 2.3327 2.3327 2.3365 2.3365 2.6148 2.6148 2.7824 2.7824 2.8732 2.8732 2.9196 2.9196 3.2803 3.2803 3.3662 3.3662 3.4917 3.4917 3.6846 3.6846 3.6949 3.6949 5.8384 5.8384 5.8652 5.8652 6.9658 6.9658 7.2327 7.2327 7.3170 7.3170 7.5301 7.5301 9.4725 9.4725 k = 0.3333 0.5774 0.3977 ( 11763 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4554 -8.4554 -8.4472 -8.4472 -7.8061 -7.8061 -7.7021 -7.7021 -7.6985 -7.6985 -7.5237 -7.5237 -5.3894 -5.3894 -5.3834 -5.3834 0.0769 0.0769 0.0901 0.0901 0.2056 0.2056 0.9196 0.9196 0.9337 0.9337 1.7015 1.7015 1.7194 1.7194 2.2963 2.2963 2.3212 2.3212 2.6060 2.6060 2.7740 2.7740 2.8708 2.8708 2.9319 2.9319 3.2723 3.2723 3.3532 3.3532 3.4631 3.4631 3.6514 3.6514 3.6723 3.6723 5.8737 5.8737 5.8985 5.8985 7.0023 7.0023 7.2658 7.2658 7.3404 7.3404 7.5576 7.5576 9.5054 9.5054 k = 0.3333 0.5774 0.4211 ( 11781 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4521 -8.4521 -8.4440 -8.4440 -7.7972 -7.7972 -7.7064 -7.7064 -7.7026 -7.7026 -7.5339 -7.5339 -5.3906 -5.3906 -5.3845 -5.3845 0.0938 0.0938 0.1006 0.1006 0.2164 0.2164 0.9463 0.9463 0.9529 0.9529 1.6835 1.6835 1.7339 1.7339 2.2598 2.2598 2.3012 2.3012 2.5866 2.5866 2.7671 2.7671 2.8698 2.8698 2.9429 2.9429 3.2697 3.2697 3.3382 3.3382 3.4357 3.4357 3.6174 3.6174 3.6471 3.6471 5.9107 5.9107 5.9329 5.9329 7.0424 7.0424 7.3034 7.3034 7.3673 7.3673 7.5857 7.5857 9.5393 9.5393 k = 0.3333 0.5774 0.4445 ( 11784 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4495 -8.4495 -8.4415 -8.4415 -7.7885 -7.7885 -7.7094 -7.7094 -7.7053 -7.7053 -7.5439 -7.5439 -5.3925 -5.3925 -5.3864 -5.3864 0.1123 0.1123 0.1127 0.1127 0.2295 0.2295 0.9720 0.9720 0.9729 0.9729 1.6546 1.6546 1.7603 1.7603 2.2241 2.2241 2.2764 2.2764 2.5599 2.5599 2.7590 2.7590 2.8696 2.8696 2.9518 2.9518 3.2734 3.2734 3.3224 3.3224 3.4100 3.4100 3.5830 3.5830 3.6197 3.6197 5.9484 5.9484 5.9680 5.9680 7.0858 7.0858 7.3450 7.3450 7.3970 7.3970 7.6139 7.6139 9.5735 9.5735 k = 0.3333 0.5774 0.4679 ( 11796 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4479 -8.4479 -8.4399 -8.4399 -7.7800 -7.7800 -7.7110 -7.7110 -7.7066 -7.7066 -7.5536 -7.5536 -5.3950 -5.3950 -5.3888 -5.3888 0.1262 0.1262 0.1321 0.1321 0.2449 0.2449 0.9907 0.9907 0.9988 0.9988 1.6256 1.6256 1.7877 1.7877 2.1899 2.1899 2.2471 2.2471 2.5289 2.5289 2.7482 2.7482 2.8696 2.8696 2.9578 2.9578 3.2837 3.2837 3.3073 3.3073 3.3863 3.3863 3.5484 3.5484 3.5907 3.5907 5.9860 5.9860 6.0031 6.0031 7.1319 7.1319 7.3897 7.3897 7.4290 7.4290 7.6415 7.6415 9.6070 9.6070 k = 0.3333 0.5774 0.4913 ( 11802 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4471 -8.4471 -8.4392 -8.4392 -7.7722 -7.7722 -7.7111 -7.7111 -7.7064 -7.7064 -7.5626 -7.5626 -5.3981 -5.3981 -5.3919 -5.3919 0.1409 0.1409 0.1528 0.1528 0.2626 0.2626 1.0085 1.0085 1.0232 1.0232 1.5971 1.5971 1.8152 1.8152 2.1580 2.1580 2.2133 2.2133 2.4958 2.4958 2.7345 2.7345 2.8695 2.8695 2.9598 2.9598 3.2943 3.2943 3.2997 3.2997 3.3651 3.3651 3.5141 3.5141 3.5608 3.5608 6.0224 6.0224 6.0373 6.0373 7.1800 7.1800 7.4364 7.4364 7.4628 7.4628 7.6684 7.6684 9.6390 9.6390 k = 0.3333 0.5774 0.5147 ( 11784 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4473 -8.4473 -8.4395 -8.4395 -7.7652 -7.7652 -7.7098 -7.7098 -7.7047 -7.7047 -7.5706 -7.5706 -5.4018 -5.4018 -5.3956 -5.3956 0.1568 0.1568 0.1740 0.1740 0.2824 0.2824 1.0251 1.0251 1.0453 1.0453 1.5697 1.5697 1.8418 1.8418 2.1292 2.1292 2.1756 2.1756 2.4625 2.4625 2.7182 2.7182 2.8700 2.8700 2.9569 2.9569 3.2848 3.2848 3.3190 3.3190 3.3471 3.3471 3.4805 3.4805 3.5311 3.5311 6.0569 6.0569 6.0700 6.0700 7.2291 7.2291 7.4841 7.4841 7.4978 7.4978 7.6945 7.6945 9.6685 9.6685 k = 0.3333 0.5774 0.5381 ( 11784 PWs) bands (ev): -20.1405 -20.1405 -20.1398 -20.1398 -20.1376 -20.1376 -20.1369 -20.1369 -17.1740 -17.1740 -17.1688 -17.1688 -17.1672 -17.1672 -17.1613 -17.1613 -17.1482 -17.1482 -17.1477 -17.1477 -8.4485 -8.4485 -8.4407 -8.4407 -7.7594 -7.7594 -7.7070 -7.7070 -7.7017 -7.7017 -7.5772 -7.5772 -5.4060 -5.4060 -5.3998 -5.3998 0.1735 0.1735 0.1952 0.1952 0.3044 0.3044 1.0401 1.0401 1.0642 1.0642 1.5438 1.5438 1.8665 1.8665 2.1045 2.1045 2.1345 2.1345 2.4306 2.4306 2.6998 2.6998 2.8715 2.8715 2.9488 2.9488 3.2793 3.2793 3.3227 3.3227 3.3494 3.3494 3.4485 3.4485 3.5028 3.5028 6.0887 6.0887 6.1005 6.1005 7.2784 7.2784 7.5312 7.5312 7.5334 7.5334 7.7199 7.7199 9.6944 9.6944 Writing output data file BiI3.save init_run : 0.61s CPU 0.82s WALL ( 1 calls) electrons : 414.46s CPU 418.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.07s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 414.45s CPU 418.22s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.17s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 216 calls) cegterg : 380.74s CPU 383.77s WALL ( 402 calls) Called by sum_band: Called by *egterg: h_psi : 215.61s CPU 218.46s WALL ( 6340 calls) s_psi : 17.62s CPU 17.62s WALL ( 6340 calls) g_psi : 0.29s CPU 0.32s WALL ( 5722 calls) cdiaghg : 131.77s CPU 132.22s WALL ( 5938 calls) cegterg:over : 16.28s CPU 16.35s WALL ( 5722 calls) cegterg:upda : 11.29s CPU 11.29s WALL ( 5722 calls) cegterg:last : 6.46s CPU 6.55s WALL ( 834 calls) cdiaghg:chol : 4.70s CPU 4.84s WALL ( 5938 calls) cdiaghg:inve : 3.54s CPU 3.59s WALL ( 5938 calls) cdiaghg:para : 8.01s CPU 7.97s WALL ( 11876 calls) Called by h_psi: h_psi:vloc : 187.22s CPU 189.81s WALL ( 6340 calls) h_psi:vnl : 28.01s CPU 28.23s WALL ( 6340 calls) add_vuspsi : 14.92s CPU 14.89s WALL ( 6340 calls) General routines calbec : 13.05s CPU 13.33s WALL ( 6340 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 176.00s CPU 178.80s WALL ( 805844 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.26s CPU 0.32s WALL ( 432 calls) Parallel routines fft_scatter : 117.75s CPU 119.31s WALL ( 805867 calls) PWSCF : 7m50.09s CPU 8m10.13s WALL This run was terminated on: 1:55:35 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=