Program PWSCF v.5.1.1 starts on 29Jun2015 at 6:29:26 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./SnS2.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 13 3 1271 851 127 Max 18 14 4 1282 867 148 Sum 823 637 187 61223 41175 6671 bravais-lattice index = 14 lattice parameter (alat) = 6.8881 a.u. unit-cell volume = 916.3847 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.888051 celldm(2)= 1.000000 celldm(3)= 3.237860 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 3.237860 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.308846 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.6189300 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.6189300 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.6189300 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.6189300 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.6189300 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.6189300 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 325 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0030769 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0030769 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0030769 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0030769 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0030769 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0030769 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0030769 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0030769 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0030769 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0030769 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0030769 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0030769 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0030769 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0030769 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0030769 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0030769 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0030769 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0030769 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0030769 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0030769 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0030769 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0030769 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0030769 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0030769 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0030769 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0030769 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0030769 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0030769 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0030769 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0030769 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0030769 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0030769 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0030769 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0030769 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0030769 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0030769 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0030769 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0030769 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0030769 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0030769 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0030769 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0030769 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0030769 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0030769 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0030769 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0030769 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0030769 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0030769 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0030769 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030769 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030769 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0030769 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0030769 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0030769 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0030769 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0030769 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0030769 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0030769 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0030769 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0030769 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0030769 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0030769 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0030769 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0030769 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0030769 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0030769 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0030769 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0030769 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0030769 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0030769 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0030769 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0030769 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0030769 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0030769 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0030769 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0030769 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0030769 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0030769 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0030769 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030769 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030769 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0030769 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0030769 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0030769 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0030769 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0030769 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0030769 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0030769 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0030769 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0030769 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0030769 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0030769 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0030769 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0030769 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0030769 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0030769 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0030769 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0030769 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0030769 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0030769 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0030769 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0030769 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0030769 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0030769 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0030769 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0030769 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0030769 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0030769 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0030769 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030769 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0030769 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0030769 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0030769 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0030769 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0030769 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0030769 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0030769 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0030769 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0030769 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0030769 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0030769 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0030769 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0030769 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0030769 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0030769 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0030769 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0030769 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0030769 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0030769 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0030769 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0030769 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0030769 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0030769 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0030769 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0030769 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0030769 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0030769 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0030769 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 142) = ( 0.0000000 0.0000000 0.0110302), wk = 0.0030769 k( 143) = ( 0.0000000 0.0000000 0.0220604), wk = 0.0030769 k( 144) = ( 0.0000000 0.0000000 0.0330906), wk = 0.0030769 k( 145) = ( 0.0000000 0.0000000 0.0441209), wk = 0.0030769 k( 146) = ( 0.0000000 0.0000000 0.0551511), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0661813), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0772115), wk = 0.0030769 k( 149) = ( 0.0000000 0.0000000 0.0882417), wk = 0.0030769 k( 150) = ( 0.0000000 0.0000000 0.0992719), wk = 0.0030769 k( 151) = ( 0.0000000 0.0000000 0.1103021), wk = 0.0030769 k( 152) = ( 0.0000000 0.0000000 0.1213323), wk = 0.0030769 k( 153) = ( 0.0000000 0.0000000 0.1323626), wk = 0.0030769 k( 154) = ( 0.0000000 0.0000000 0.1433928), wk = 0.0030769 k( 155) = ( 0.0000000 0.0000000 0.1544230), wk = 0.0030769 k( 156) = ( 0.0000000 0.0000000 0.1544230), wk = 0.0030769 k( 157) = ( 0.0100000 0.0057735 0.1544230), wk = 0.0030769 k( 158) = ( 0.0200000 0.0115470 0.1544230), wk = 0.0030769 k( 159) = ( 0.0300000 0.0173205 0.1544230), wk = 0.0030769 k( 160) = ( 0.0400000 0.0230940 0.1544230), wk = 0.0030769 k( 161) = ( 0.0500000 0.0288675 0.1544230), wk = 0.0030769 k( 162) = ( 0.0600000 0.0346410 0.1544230), wk = 0.0030769 k( 163) = ( 0.0700000 0.0404145 0.1544230), wk = 0.0030769 k( 164) = ( 0.0800000 0.0461880 0.1544230), wk = 0.0030769 k( 165) = ( 0.0900000 0.0519615 0.1544230), wk = 0.0030769 k( 166) = ( 0.1000000 0.0577350 0.1544230), wk = 0.0030769 k( 167) = ( 0.1100000 0.0635085 0.1544230), wk = 0.0030769 k( 168) = ( 0.1200000 0.0692820 0.1544230), wk = 0.0030769 k( 169) = ( 0.1300000 0.0750555 0.1544230), wk = 0.0030769 k( 170) = ( 0.1400000 0.0808290 0.1544230), wk = 0.0030769 k( 171) = ( 0.1500000 0.0866025 0.1544230), wk = 0.0030769 k( 172) = ( 0.1600000 0.0923760 0.1544230), wk = 0.0030769 k( 173) = ( 0.1700000 0.0981495 0.1544230), wk = 0.0030769 k( 174) = ( 0.1800000 0.1039230 0.1544230), wk = 0.0030769 k( 175) = ( 0.1900000 0.1096966 0.1544230), wk = 0.0030769 k( 176) = ( 0.2000000 0.1154701 0.1544230), wk = 0.0030769 k( 177) = ( 0.2100000 0.1212436 0.1544230), wk = 0.0030769 k( 178) = ( 0.2200000 0.1270171 0.1544230), wk = 0.0030769 k( 179) = ( 0.2300000 0.1327906 0.1544230), wk = 0.0030769 k( 180) = ( 0.2400000 0.1385641 0.1544230), wk = 0.0030769 k( 181) = ( 0.2500000 0.1443376 0.1544230), wk = 0.0030769 k( 182) = ( 0.2600000 0.1501111 0.1544230), wk = 0.0030769 k( 183) = ( 0.2700000 0.1558846 0.1544230), wk = 0.0030769 k( 184) = ( 0.2800000 0.1616581 0.1544230), wk = 0.0030769 k( 185) = ( 0.2900000 0.1674316 0.1544230), wk = 0.0030769 k( 186) = ( 0.3000000 0.1732051 0.1544230), wk = 0.0030769 k( 187) = ( 0.3100000 0.1789786 0.1544230), wk = 0.0030769 k( 188) = ( 0.3200000 0.1847521 0.1544230), wk = 0.0030769 k( 189) = ( 0.3300000 0.1905256 0.1544230), wk = 0.0030769 k( 190) = ( 0.3400000 0.1962991 0.1544230), wk = 0.0030769 k( 191) = ( 0.3500000 0.2020726 0.1544230), wk = 0.0030769 k( 192) = ( 0.3600000 0.2078461 0.1544230), wk = 0.0030769 k( 193) = ( 0.3700000 0.2136196 0.1544230), wk = 0.0030769 k( 194) = ( 0.3800000 0.2193931 0.1544230), wk = 0.0030769 k( 195) = ( 0.3900000 0.2251666 0.1544230), wk = 0.0030769 k( 196) = ( 0.4000000 0.2309401 0.1544230), wk = 0.0030769 k( 197) = ( 0.4100000 0.2367136 0.1544230), wk = 0.0030769 k( 198) = ( 0.4200000 0.2424871 0.1544230), wk = 0.0030769 k( 199) = ( 0.4300000 0.2482606 0.1544230), wk = 0.0030769 k( 200) = ( 0.4400000 0.2540341 0.1544230), wk = 0.0030769 k( 201) = ( 0.4500000 0.2598076 0.1544230), wk = 0.0030769 k( 202) = ( 0.4600000 0.2655811 0.1544230), wk = 0.0030769 k( 203) = ( 0.4700000 0.2713546 0.1544230), wk = 0.0030769 k( 204) = ( 0.4800000 0.2771281 0.1544230), wk = 0.0030769 k( 205) = ( 0.4900000 0.2829016 0.1544230), wk = 0.0030769 k( 206) = ( 0.5000000 0.2886751 0.1544230), wk = 0.0030769 k( 207) = ( 0.5000000 0.2886751 0.1544230), wk = 0.0030769 k( 208) = ( 0.4942529 0.2986294 0.1544230), wk = 0.0030769 k( 209) = ( 0.4885058 0.3085838 0.1544230), wk = 0.0030769 k( 210) = ( 0.4827586 0.3185381 0.1544230), wk = 0.0030769 k( 211) = ( 0.4770115 0.3284924 0.1544230), wk = 0.0030769 k( 212) = ( 0.4712644 0.3384467 0.1544230), wk = 0.0030769 k( 213) = ( 0.4655172 0.3484010 0.1544230), wk = 0.0030769 k( 214) = ( 0.4597701 0.3583553 0.1544230), wk = 0.0030769 k( 215) = ( 0.4540230 0.3683097 0.1544230), wk = 0.0030769 k( 216) = ( 0.4482759 0.3782640 0.1544230), wk = 0.0030769 k( 217) = ( 0.4425287 0.3882183 0.1544230), wk = 0.0030769 k( 218) = ( 0.4367816 0.3981726 0.1544230), wk = 0.0030769 k( 219) = ( 0.4310345 0.4081269 0.1544230), wk = 0.0030769 k( 220) = ( 0.4252874 0.4180812 0.1544230), wk = 0.0030769 k( 221) = ( 0.4195402 0.4280355 0.1544230), wk = 0.0030769 k( 222) = ( 0.4137931 0.4379899 0.1544230), wk = 0.0030769 k( 223) = ( 0.4080460 0.4479442 0.1544230), wk = 0.0030769 k( 224) = ( 0.4022988 0.4578985 0.1544230), wk = 0.0030769 k( 225) = ( 0.3965517 0.4678528 0.1544230), wk = 0.0030769 k( 226) = ( 0.3908046 0.4778071 0.1544230), wk = 0.0030769 k( 227) = ( 0.3850575 0.4877614 0.1544230), wk = 0.0030769 k( 228) = ( 0.3793103 0.4977157 0.1544230), wk = 0.0030769 k( 229) = ( 0.3735632 0.5076701 0.1544230), wk = 0.0030769 k( 230) = ( 0.3678161 0.5176244 0.1544230), wk = 0.0030769 k( 231) = ( 0.3620690 0.5275787 0.1544230), wk = 0.0030769 k( 232) = ( 0.3563218 0.5375330 0.1544230), wk = 0.0030769 k( 233) = ( 0.3505747 0.5474873 0.1544230), wk = 0.0030769 k( 234) = ( 0.3448276 0.5574416 0.1544230), wk = 0.0030769 k( 235) = ( 0.3390805 0.5673960 0.1544230), wk = 0.0030769 k( 236) = ( 0.3333333 0.5773503 0.1544230), wk = 0.0030769 k( 237) = ( 0.3333333 0.5773503 0.1544230), wk = 0.0030769 k( 238) = ( 0.3275862 0.5673960 0.1544230), wk = 0.0030769 k( 239) = ( 0.3218391 0.5574416 0.1544230), wk = 0.0030769 k( 240) = ( 0.3160920 0.5474873 0.1544230), wk = 0.0030769 k( 241) = ( 0.3103448 0.5375330 0.1544230), wk = 0.0030769 k( 242) = ( 0.3045977 0.5275787 0.1544230), wk = 0.0030769 k( 243) = ( 0.2988506 0.5176244 0.1544230), wk = 0.0030769 k( 244) = ( 0.2931034 0.5076701 0.1544230), wk = 0.0030769 k( 245) = ( 0.2873563 0.4977157 0.1544230), wk = 0.0030769 k( 246) = ( 0.2816092 0.4877614 0.1544230), wk = 0.0030769 k( 247) = ( 0.2758621 0.4778071 0.1544230), wk = 0.0030769 k( 248) = ( 0.2701149 0.4678528 0.1544230), wk = 0.0030769 k( 249) = ( 0.2643678 0.4578985 0.1544230), wk = 0.0030769 k( 250) = ( 0.2586207 0.4479442 0.1544230), wk = 0.0030769 k( 251) = ( 0.2528736 0.4379899 0.1544230), wk = 0.0030769 k( 252) = ( 0.2471264 0.4280355 0.1544230), wk = 0.0030769 k( 253) = ( 0.2413793 0.4180812 0.1544230), wk = 0.0030769 k( 254) = ( 0.2356322 0.4081269 0.1544230), wk = 0.0030769 k( 255) = ( 0.2298851 0.3981726 0.1544230), wk = 0.0030769 k( 256) = ( 0.2241379 0.3882183 0.1544230), wk = 0.0030769 k( 257) = ( 0.2183908 0.3782640 0.1544230), wk = 0.0030769 k( 258) = ( 0.2126437 0.3683097 0.1544230), wk = 0.0030769 k( 259) = ( 0.2068966 0.3583553 0.1544230), wk = 0.0030769 k( 260) = ( 0.2011494 0.3484010 0.1544230), wk = 0.0030769 k( 261) = ( 0.1954023 0.3384467 0.1544230), wk = 0.0030769 k( 262) = ( 0.1896552 0.3284924 0.1544230), wk = 0.0030769 k( 263) = ( 0.1839080 0.3185381 0.1544230), wk = 0.0030769 k( 264) = ( 0.1781609 0.3085838 0.1544230), wk = 0.0030769 k( 265) = ( 0.1724138 0.2986294 0.1544230), wk = 0.0030769 k( 266) = ( 0.1666667 0.2886751 0.1544230), wk = 0.0030769 k( 267) = ( 0.1609195 0.2787208 0.1544230), wk = 0.0030769 k( 268) = ( 0.1551724 0.2687665 0.1544230), wk = 0.0030769 k( 269) = ( 0.1494253 0.2588122 0.1544230), wk = 0.0030769 k( 270) = ( 0.1436782 0.2488579 0.1544230), wk = 0.0030769 k( 271) = ( 0.1379310 0.2389036 0.1544230), wk = 0.0030769 k( 272) = ( 0.1321839 0.2289492 0.1544230), wk = 0.0030769 k( 273) = ( 0.1264368 0.2189949 0.1544230), wk = 0.0030769 k( 274) = ( 0.1206897 0.2090406 0.1544230), wk = 0.0030769 k( 275) = ( 0.1149425 0.1990863 0.1544230), wk = 0.0030769 k( 276) = ( 0.1091954 0.1891320 0.1544230), wk = 0.0030769 k( 277) = ( 0.1034483 0.1791777 0.1544230), wk = 0.0030769 k( 278) = ( 0.0977012 0.1692234 0.1544230), wk = 0.0030769 k( 279) = ( 0.0919540 0.1592690 0.1544230), wk = 0.0030769 k( 280) = ( 0.0862069 0.1493147 0.1544230), wk = 0.0030769 k( 281) = ( 0.0804598 0.1393604 0.1544230), wk = 0.0030769 k( 282) = ( 0.0747126 0.1294061 0.1544230), wk = 0.0030769 k( 283) = ( 0.0689655 0.1194518 0.1544230), wk = 0.0030769 k( 284) = ( 0.0632184 0.1094975 0.1544230), wk = 0.0030769 k( 285) = ( 0.0574713 0.0995431 0.1544230), wk = 0.0030769 k( 286) = ( 0.0517241 0.0895888 0.1544230), wk = 0.0030769 k( 287) = ( 0.0459770 0.0796345 0.1544230), wk = 0.0030769 k( 288) = ( 0.0402299 0.0696802 0.1544230), wk = 0.0030769 k( 289) = ( 0.0344828 0.0597259 0.1544230), wk = 0.0030769 k( 290) = ( 0.0287356 0.0497716 0.1544230), wk = 0.0030769 k( 291) = ( 0.0229885 0.0398173 0.1544230), wk = 0.0030769 k( 292) = ( 0.0172414 0.0298629 0.1544230), wk = 0.0030769 k( 293) = ( 0.0114942 0.0199086 0.1544230), wk = 0.0030769 k( 294) = ( 0.0057471 0.0099543 0.1544230), wk = 0.0030769 k( 295) = ( 0.0000000 0.0000000 0.1544230), wk = 0.0030769 k( 296) = ( 0.5000000 0.2886751 0.1544230), wk = 0.0030769 k( 297) = ( 0.5000000 0.2886751 0.1433928), wk = 0.0030769 k( 298) = ( 0.5000000 0.2886751 0.1323626), wk = 0.0030769 k( 299) = ( 0.5000000 0.2886751 0.1213323), wk = 0.0030769 k( 300) = ( 0.5000000 0.2886751 0.1103021), wk = 0.0030769 k( 301) = ( 0.5000000 0.2886751 0.0992719), wk = 0.0030769 k( 302) = ( 0.5000000 0.2886751 0.0882417), wk = 0.0030769 k( 303) = ( 0.5000000 0.2886751 0.0772115), wk = 0.0030769 k( 304) = ( 0.5000000 0.2886751 0.0661813), wk = 0.0030769 k( 305) = ( 0.5000000 0.2886751 0.0551511), wk = 0.0030769 k( 306) = ( 0.5000000 0.2886751 0.0441209), wk = 0.0030769 k( 307) = ( 0.5000000 0.2886751 0.0330906), wk = 0.0030769 k( 308) = ( 0.5000000 0.2886751 0.0220604), wk = 0.0030769 k( 309) = ( 0.5000000 0.2886751 0.0110302), wk = 0.0030769 k( 310) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030769 k( 311) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030769 k( 312) = ( 0.3333333 0.5773503 0.0110302), wk = 0.0030769 k( 313) = ( 0.3333333 0.5773503 0.0220604), wk = 0.0030769 k( 314) = ( 0.3333333 0.5773503 0.0330906), wk = 0.0030769 k( 315) = ( 0.3333333 0.5773503 0.0441209), wk = 0.0030769 k( 316) = ( 0.3333333 0.5773503 0.0551511), wk = 0.0030769 k( 317) = ( 0.3333333 0.5773503 0.0661813), wk = 0.0030769 k( 318) = ( 0.3333333 0.5773503 0.0772115), wk = 0.0030769 k( 319) = ( 0.3333333 0.5773503 0.0882417), wk = 0.0030769 k( 320) = ( 0.3333333 0.5773503 0.0992719), wk = 0.0030769 k( 321) = ( 0.3333333 0.5773503 0.1103021), wk = 0.0030769 k( 322) = ( 0.3333333 0.5773503 0.1213323), wk = 0.0030769 k( 323) = ( 0.3333333 0.5773503 0.1323626), wk = 0.0030769 k( 324) = ( 0.3333333 0.5773503 0.1433928), wk = 0.0030769 k( 325) = ( 0.3333333 0.5773503 0.1544230), wk = 0.0030769 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0030769 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0030769 k( 4) = ( 0.0300000 -0.0000000 0.0000000), wk = 0.0030769 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0030769 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0030769 k( 7) = ( 0.0600000 -0.0000000 0.0000000), wk = 0.0030769 k( 8) = ( 0.0700000 0.0000000 -0.0000000), wk = 0.0030769 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0030769 k( 10) = ( 0.0900000 0.0000000 -0.0000000), wk = 0.0030769 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0030769 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0030769 k( 13) = ( 0.1200000 -0.0000000 0.0000000), wk = 0.0030769 k( 14) = ( 0.1300000 0.0000000 -0.0000000), wk = 0.0030769 k( 15) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0030769 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0030769 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0030769 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0030769 k( 19) = ( 0.1800000 0.0000000 -0.0000000), wk = 0.0030769 k( 20) = ( 0.1900000 -0.0000000 0.0000000), wk = 0.0030769 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0030769 k( 22) = ( 0.2100000 -0.0000000 0.0000000), wk = 0.0030769 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0030769 k( 24) = ( 0.2300000 -0.0000000 0.0000000), wk = 0.0030769 k( 25) = ( 0.2400000 -0.0000000 0.0000000), wk = 0.0030769 k( 26) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0030769 k( 27) = ( 0.2600000 0.0000000 -0.0000000), wk = 0.0030769 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0030769 k( 29) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0030769 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0030769 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030769 k( 32) = ( 0.3100000 0.0000000 0.0000000), wk = 0.0030769 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0030769 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0030769 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0030769 k( 36) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0030769 k( 37) = ( 0.3600000 0.0000000 -0.0000000), wk = 0.0030769 k( 38) = ( 0.3700000 -0.0000000 0.0000000), wk = 0.0030769 k( 39) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0030769 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0030769 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0030769 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0030769 k( 43) = ( 0.4200000 -0.0000000 0.0000000), wk = 0.0030769 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0030769 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0030769 k( 46) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0030769 k( 47) = ( 0.4600000 -0.0000000 0.0000000), wk = 0.0030769 k( 48) = ( 0.4700000 -0.0000000 0.0000000), wk = 0.0030769 k( 49) = ( 0.4800000 -0.0000000 0.0000000), wk = 0.0030769 k( 50) = ( 0.4900000 -0.0000000 0.0000000), wk = 0.0030769 k( 51) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030769 k( 52) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030769 k( 53) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0030769 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0030769 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0030769 k( 56) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0030769 k( 57) = ( 0.4712644 0.0574713 -0.0000000), wk = 0.0030769 k( 58) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0030769 k( 59) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0030769 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0030769 k( 61) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0030769 k( 62) = ( 0.4425287 0.1149425 -0.0000000), wk = 0.0030769 k( 63) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0030769 k( 64) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0030769 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0030769 k( 66) = ( 0.4195402 0.1609195 -0.0000000), wk = 0.0030769 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0030769 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0030769 k( 69) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0030769 k( 70) = ( 0.3965517 0.2068965 0.0000000), wk = 0.0030769 k( 71) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0030769 k( 72) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0030769 k( 73) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0030769 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0030769 k( 75) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0030769 k( 76) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0030769 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0030769 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0030769 k( 79) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0030769 k( 80) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0030769 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030769 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030769 k( 83) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0030769 k( 84) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0030769 k( 85) = ( 0.3160920 0.3160919 -0.0000000), wk = 0.0030769 k( 86) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0030769 k( 87) = ( 0.3045977 0.3045977 0.0000000), wk = 0.0030769 k( 88) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0030769 k( 89) = ( 0.2931034 0.2931035 0.0000000), wk = 0.0030769 k( 90) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0030769 k( 91) = ( 0.2816092 0.2816092 0.0000000), wk = 0.0030769 k( 92) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0030769 k( 93) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0030769 k( 94) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0030769 k( 95) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0030769 k( 96) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0030769 k( 97) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0030769 k( 98) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0030769 k( 99) = ( 0.2356322 0.2356322 0.0000000), wk = 0.0030769 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0030769 k( 101) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0030769 k( 102) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0030769 k( 103) = ( 0.2126437 0.2126437 -0.0000000), wk = 0.0030769 k( 104) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0030769 k( 105) = ( 0.2011494 0.2011494 -0.0000000), wk = 0.0030769 k( 106) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0030769 k( 107) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0030769 k( 108) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0030769 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0030769 k( 110) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0030769 k( 111) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030769 k( 112) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0030769 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0030769 k( 114) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0030769 k( 115) = ( 0.1436782 0.1436782 -0.0000000), wk = 0.0030769 k( 116) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0030769 k( 117) = ( 0.1321839 0.1321839 0.0000000), wk = 0.0030769 k( 118) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0030769 k( 119) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0030769 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0030769 k( 121) = ( 0.1091954 0.1091954 0.0000000), wk = 0.0030769 k( 122) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0030769 k( 123) = ( 0.0977012 0.0977012 0.0000000), wk = 0.0030769 k( 124) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0030769 k( 125) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0030769 k( 126) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0030769 k( 127) = ( 0.0747126 0.0747126 -0.0000000), wk = 0.0030769 k( 128) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0030769 k( 129) = ( 0.0632184 0.0632184 -0.0000000), wk = 0.0030769 k( 130) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0030769 k( 131) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0030769 k( 132) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0030769 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0030769 k( 134) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0030769 k( 135) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0030769 k( 136) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0030769 k( 137) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0030769 k( 138) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0030769 k( 139) = ( 0.0057471 0.0057471 0.0000000), wk = 0.0030769 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 142) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0030769 k( 143) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0030769 k( 144) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0030769 k( 145) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0030769 k( 146) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030769 k( 149) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0030769 k( 150) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0030769 k( 151) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0030769 k( 152) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0030769 k( 153) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0030769 k( 154) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0030769 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030769 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030769 k( 157) = ( 0.0100000 -0.0000000 0.5000000), wk = 0.0030769 k( 158) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0030769 k( 159) = ( 0.0300000 -0.0000000 0.5000000), wk = 0.0030769 k( 160) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0030769 k( 161) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0030769 k( 162) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0030769 k( 163) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0030769 k( 164) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0030769 k( 165) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0030769 k( 166) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0030769 k( 167) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0030769 k( 168) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0030769 k( 169) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0030769 k( 170) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0030769 k( 171) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0030769 k( 172) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0030769 k( 173) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0030769 k( 174) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0030769 k( 175) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0030769 k( 176) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0030769 k( 177) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0030769 k( 178) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0030769 k( 179) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0030769 k( 180) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0030769 k( 181) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0030769 k( 182) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0030769 k( 183) = ( 0.2700000 -0.0000000 0.5000000), wk = 0.0030769 k( 184) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0030769 k( 185) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0030769 k( 186) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0030769 k( 187) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0030769 k( 188) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0030769 k( 189) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0030769 k( 190) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0030769 k( 191) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0030769 k( 192) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0030769 k( 193) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0030769 k( 194) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0030769 k( 195) = ( 0.3900000 -0.0000000 0.5000000), wk = 0.0030769 k( 196) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0030769 k( 197) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0030769 k( 198) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0030769 k( 199) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0030769 k( 200) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0030769 k( 201) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0030769 k( 202) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0030769 k( 203) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0030769 k( 204) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0030769 k( 205) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0030769 k( 206) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030769 k( 207) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030769 k( 208) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0030769 k( 209) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0030769 k( 210) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0030769 k( 211) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0030769 k( 212) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0030769 k( 213) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0030769 k( 214) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0030769 k( 215) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0030769 k( 216) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0030769 k( 217) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0030769 k( 218) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0030769 k( 219) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0030769 k( 220) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0030769 k( 221) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0030769 k( 222) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0030769 k( 223) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0030769 k( 224) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0030769 k( 225) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0030769 k( 226) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0030769 k( 227) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0030769 k( 228) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0030769 k( 229) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0030769 k( 230) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0030769 k( 231) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0030769 k( 232) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0030769 k( 233) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0030769 k( 234) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0030769 k( 235) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0030769 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030769 k( 237) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030769 k( 238) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0030769 k( 239) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0030769 k( 240) = ( 0.3160920 0.3160919 0.5000000), wk = 0.0030769 k( 241) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0030769 k( 242) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0030769 k( 243) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0030769 k( 244) = ( 0.2931034 0.2931035 0.5000000), wk = 0.0030769 k( 245) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0030769 k( 246) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0030769 k( 247) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0030769 k( 248) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0030769 k( 249) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0030769 k( 250) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0030769 k( 251) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0030769 k( 252) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0030769 k( 253) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0030769 k( 254) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0030769 k( 255) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0030769 k( 256) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0030769 k( 257) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0030769 k( 258) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0030769 k( 259) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0030769 k( 260) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0030769 k( 261) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0030769 k( 262) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0030769 k( 263) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0030769 k( 264) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0030769 k( 265) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0030769 k( 266) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030769 k( 267) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0030769 k( 268) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0030769 k( 269) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0030769 k( 270) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0030769 k( 271) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0030769 k( 272) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0030769 k( 273) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0030769 k( 274) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0030769 k( 275) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0030769 k( 276) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0030769 k( 277) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0030769 k( 278) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0030769 k( 279) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0030769 k( 280) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0030769 k( 281) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0030769 k( 282) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0030769 k( 283) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0030769 k( 284) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0030769 k( 285) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0030769 k( 286) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0030769 k( 287) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0030769 k( 288) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0030769 k( 289) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0030769 k( 290) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0030769 k( 291) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0030769 k( 292) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0030769 k( 293) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0030769 k( 294) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0030769 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030769 k( 296) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030769 k( 297) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0030769 k( 298) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0030769 k( 299) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0030769 k( 300) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0030769 k( 301) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0030769 k( 302) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0030769 k( 303) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0030769 k( 304) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0030769 k( 305) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0030769 k( 306) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0030769 k( 307) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0030769 k( 308) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0030769 k( 309) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0030769 k( 310) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030769 k( 311) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030769 k( 312) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0030769 k( 313) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0030769 k( 314) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0030769 k( 315) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0030769 k( 316) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0030769 k( 317) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0030769 k( 318) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030769 k( 319) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0030769 k( 320) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0030769 k( 321) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0030769 k( 322) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0030769 k( 323) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0030769 k( 324) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0030769 k( 325) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030769 Dense grid: 61223 G-vectors FFT dimensions: ( 36, 36, 120) Smooth grid: 41175 G-vectors FFT dimensions: ( 32, 32, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 220, 62) NL pseudopotentials 0.34 Mb ( 110, 204) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1275) G-vector shells 0.00 Mb ( 646) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 220, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnS2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.8 secs Computing kpt #: 2 total cpu time spent up to now is 46.3 secs Computing kpt #: 3 total cpu time spent up to now is 48.7 secs Computing kpt #: 4 total cpu time spent up to now is 51.2 secs Computing kpt #: 5 total cpu time spent up to now is 53.9 secs Computing kpt #: 6 total cpu time spent up to now is 56.7 secs Computing kpt #: 7 total cpu time spent up to now is 59.5 secs Computing kpt #: 8 total cpu time spent up to now is 62.0 secs Computing kpt #: 9 total cpu time spent up to now is 64.6 secs Computing kpt #: 10 total cpu time spent up to now is 67.2 secs Computing kpt #: 11 total cpu time spent up to now is 70.2 secs Computing kpt #: 12 total cpu time spent up to now is 72.6 secs Computing kpt #: 13 total cpu time spent up to now is 75.3 secs Computing kpt #: 14 total cpu time spent up to now is 77.8 secs Computing kpt #: 15 total cpu time spent up to now is 80.4 secs Computing kpt #: 16 total cpu time spent up to now is 83.1 secs Computing kpt #: 17 total cpu time spent up to now is 86.3 secs Computing kpt #: 18 total cpu time spent up to now is 89.8 secs Computing kpt #: 19 total cpu time spent up to now is 94.0 secs Computing kpt #: 20 total cpu time spent up to now is 96.9 secs Computing kpt #: 21 total cpu time spent up to now is 100.0 secs Computing kpt #: 22 total cpu time spent up to now is 102.8 secs Computing kpt #: 23 total cpu time spent up to now is 106.2 secs Computing kpt #: 24 total cpu time spent up to now is 109.7 secs Computing kpt #: 25 total cpu time spent up to now is 112.3 secs Computing kpt #: 26 total cpu time spent up to now is 115.2 secs Computing kpt #: 27 total cpu time spent up to now is 119.0 secs Computing kpt #: 28 total cpu time spent up to now is 122.3 secs Computing kpt #: 29 total cpu time spent up to now is 125.1 secs Computing kpt #: 30 total cpu time spent up to now is 127.9 secs Computing kpt #: 31 total cpu time spent up to now is 131.3 secs Computing kpt #: 32 total cpu time spent up to now is 134.3 secs Computing kpt #: 33 total cpu time spent up to now is 137.3 secs Computing kpt #: 34 total cpu time spent up to now is 140.5 secs Computing kpt #: 35 total cpu time spent up to now is 143.8 secs Computing kpt #: 36 total cpu time spent up to now is 147.1 secs Computing kpt #: 37 total cpu time spent up to now is 150.7 secs Computing kpt #: 38 total cpu time spent up to now is 154.1 secs Computing kpt #: 39 total cpu time spent up to now is 158.0 secs Computing kpt #: 40 total cpu time spent up to now is 161.4 secs Computing kpt #: 41 total cpu time spent up to now is 165.0 secs Computing kpt #: 42 total cpu time spent up to now is 168.4 secs Computing kpt #: 43 total cpu time spent up to now is 171.7 secs Computing kpt #: 44 total cpu time spent up to now is 175.6 secs Computing kpt #: 45 total cpu time spent up to now is 179.0 secs Computing kpt #: 46 total cpu time spent up to now is 182.5 secs Computing kpt #: 47 total cpu time spent up to now is 185.9 secs Computing kpt #: 48 total cpu time spent up to now is 189.3 secs Computing kpt #: 49 total cpu time spent up to now is 193.3 secs Computing kpt #: 50 total cpu time spent up to now is 196.8 secs Computing kpt #: 51 total cpu time spent up to now is 200.0 secs Computing kpt #: 52 total cpu time spent up to now is 203.4 secs Computing kpt #: 53 total cpu time spent up to now is 206.7 secs Computing kpt #: 54 total cpu time spent up to now is 209.9 secs Computing kpt #: 55 total cpu time spent up to now is 213.4 secs Computing kpt #: 56 total cpu time spent up to now is 216.9 secs Computing kpt #: 57 total cpu time spent up to now is 220.1 secs Computing kpt #: 58 total cpu time spent up to now is 225.0 secs Computing kpt #: 59 total cpu time spent up to now is 228.2 secs Computing kpt #: 60 total cpu time spent up to now is 232.5 secs Computing kpt #: 61 total cpu time spent up to now is 236.1 secs Computing kpt #: 62 total cpu time spent up to now is 239.5 secs Computing kpt #: 63 total cpu time spent up to now is 242.6 secs Computing kpt #: 64 total cpu time spent up to now is 246.1 secs Computing kpt #: 65 total cpu time spent up to now is 248.9 secs Computing kpt #: 66 total cpu time spent up to now is 251.6 secs Computing kpt #: 67 total cpu time spent up to now is 254.5 secs Computing kpt #: 68 total cpu time spent up to now is 258.0 secs Computing kpt #: 69 total cpu time spent up to now is 261.3 secs Computing kpt #: 70 total cpu time spent up to now is 265.1 secs Computing kpt #: 71 total cpu time spent up to now is 267.8 secs Computing kpt #: 72 total cpu time spent up to now is 270.4 secs Computing kpt #: 73 total cpu time spent up to now is 272.9 secs Computing kpt #: 74 total cpu time spent up to now is 275.4 secs Computing kpt #: 75 total cpu time spent up to now is 277.8 secs Computing kpt #: 76 total cpu time spent up to now is 280.1 secs Computing kpt #: 77 total cpu time spent up to now is 282.5 secs Computing kpt #: 78 total cpu time spent up to now is 284.9 secs Computing kpt #: 79 total cpu time spent up to now is 287.1 secs Computing kpt #: 80 total cpu time spent up to now is 289.5 secs Computing kpt #: 81 total cpu time spent up to now is 291.8 secs Computing kpt #: 82 total cpu time spent up to now is 294.1 secs Computing kpt #: 83 total cpu time spent up to now is 296.4 secs Computing kpt #: 84 total cpu time spent up to now is 298.6 secs Computing kpt #: 85 total cpu time spent up to now is 301.0 secs Computing kpt #: 86 total cpu time spent up to now is 303.3 secs Computing kpt #: 87 total cpu time spent up to now is 305.9 secs Computing kpt #: 88 total cpu time spent up to now is 308.3 secs Computing kpt #: 89 total cpu time spent up to now is 310.7 secs Computing kpt #: 90 total cpu time spent up to now is 313.1 secs Computing kpt #: 91 total cpu time spent up to now is 315.9 secs Computing kpt #: 92 total cpu time spent up to now is 318.4 secs Computing kpt #: 93 total cpu time spent up to now is 320.8 secs Computing kpt #: 94 total cpu time spent up to now is 323.5 secs Computing kpt #: 95 total cpu time spent up to now is 326.3 secs Computing kpt #: 96 total cpu time spent up to now is 328.9 secs Computing kpt #: 97 total cpu time spent up to now is 331.6 secs Computing kpt #: 98 total cpu time spent up to now is 334.3 secs Computing kpt #: 99 total cpu time spent up to now is 337.1 secs Computing kpt #: 100 total cpu time spent up to now is 340.0 secs Computing kpt #: 101 total cpu time spent up to now is 342.9 secs Computing kpt #: 102 total cpu time spent up to now is 345.7 secs Computing kpt #: 103 total cpu time spent up to now is 348.6 secs Computing kpt #: 104 total cpu time spent up to now is 351.3 secs Computing kpt #: 105 total cpu time spent up to now is 354.1 secs Computing kpt #: 106 total cpu time spent up to now is 356.8 secs Computing kpt #: 107 total cpu time spent up to now is 359.4 secs Computing kpt #: 108 total cpu time spent up to now is 362.0 secs Computing kpt #: 109 total cpu time spent up to now is 364.5 secs Computing kpt #: 110 total cpu time spent up to now is 367.0 secs Computing kpt #: 111 total cpu time spent up to now is 369.5 secs Computing kpt #: 112 total cpu time spent up to now is 371.9 secs Computing kpt #: 113 total cpu time spent up to now is 374.3 secs Computing kpt #: 114 total cpu time spent up to now is 376.8 secs Computing kpt #: 115 total cpu time spent up to now is 379.2 secs Computing kpt #: 116 total cpu time spent up to now is 381.9 secs Computing kpt #: 117 total cpu time spent up to now is 384.4 secs Computing kpt #: 118 total cpu time spent up to now is 386.7 secs Computing kpt #: 119 total cpu time spent up to now is 389.3 secs Computing kpt #: 120 total cpu time spent up to now is 392.2 secs Computing kpt #: 121 total cpu time spent up to now is 394.6 secs Computing kpt #: 122 total cpu time spent up to now is 397.0 secs Computing kpt #: 123 total cpu time spent up to now is 399.4 secs Computing kpt #: 124 total cpu time spent up to now is 402.1 secs Computing kpt #: 125 total cpu time spent up to now is 404.5 secs Computing kpt #: 126 total cpu time spent up to now is 407.2 secs Computing kpt #: 127 total cpu time spent up to now is 409.5 secs Computing kpt #: 128 total cpu time spent up to now is 412.2 secs Computing kpt #: 129 total cpu time spent up to now is 414.6 secs Computing kpt #: 130 total cpu time spent up to now is 417.0 secs Computing kpt #: 131 total cpu time spent up to now is 419.4 secs Computing kpt #: 132 total cpu time spent up to now is 421.9 secs Computing kpt #: 133 total cpu time spent up to now is 424.5 secs Computing kpt #: 134 total cpu time spent up to now is 426.9 secs Computing kpt #: 135 total cpu time spent up to now is 429.5 secs Computing kpt #: 136 total cpu time spent up to now is 431.9 secs Computing kpt #: 137 total cpu time spent up to now is 434.3 secs Computing kpt #: 138 total cpu time spent up to now is 436.7 secs Computing kpt #: 139 total cpu time spent up to now is 439.1 secs Computing kpt #: 140 total cpu time spent up to now is 441.5 secs Computing kpt #: 141 total cpu time spent up to now is 443.8 secs Computing kpt #: 142 total cpu time spent up to now is 446.1 secs Computing kpt #: 143 total cpu time spent up to now is 448.5 secs Computing kpt #: 144 total cpu time spent up to now is 450.8 secs Computing kpt #: 145 total cpu time spent up to now is 453.1 secs Computing kpt #: 146 total cpu time spent up to now is 455.5 secs Computing kpt #: 147 total cpu time spent up to now is 457.9 secs Computing kpt #: 148 total cpu time spent up to now is 460.4 secs Computing kpt #: 149 total cpu time spent up to now is 462.9 secs Computing kpt #: 150 total cpu time spent up to now is 465.3 secs Computing kpt #: 151 total cpu time spent up to now is 467.7 secs Computing kpt #: 152 total cpu time spent up to now is 470.1 secs Computing kpt #: 153 total cpu time spent up to now is 472.7 secs Computing kpt #: 154 total cpu time spent up to now is 475.7 secs Computing kpt #: 155 total cpu time spent up to now is 478.0 secs Computing kpt #: 156 total cpu time spent up to now is 480.1 secs Computing kpt #: 157 total cpu time spent up to now is 482.7 secs Computing kpt #: 158 total cpu time spent up to now is 485.3 secs Computing kpt #: 159 total cpu time spent up to now is 488.0 secs Computing kpt #: 160 total cpu time spent up to now is 490.5 secs Computing kpt #: 161 total cpu time spent up to now is 493.0 secs Computing kpt #: 162 total cpu time spent up to now is 495.5 secs Computing kpt #: 163 total cpu time spent up to now is 498.0 secs Computing kpt #: 164 total cpu time spent up to now is 500.5 secs Computing kpt #: 165 total cpu time spent up to now is 503.1 secs Computing kpt #: 166 total cpu time spent up to now is 505.5 secs Computing kpt #: 167 total cpu time spent up to now is 508.1 secs Computing kpt #: 168 total cpu time spent up to now is 510.6 secs Computing kpt #: 169 total cpu time spent up to now is 513.2 secs Computing kpt #: 170 total cpu time spent up to now is 515.7 secs Computing kpt #: 171 total cpu time spent up to now is 518.5 secs Computing kpt #: 172 total cpu time spent up to now is 521.2 secs Computing kpt #: 173 total cpu time spent up to now is 523.8 secs Computing kpt #: 174 total cpu time spent up to now is 526.4 secs Computing kpt #: 175 total cpu time spent up to now is 529.5 secs Computing kpt #: 176 total cpu time spent up to now is 532.3 secs Computing kpt #: 177 total cpu time spent up to now is 535.7 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 541.1 secs Computing kpt #: 179 total cpu time spent up to now is 545.1 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 551.0 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 556.8 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 562.6 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 568.3 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.6 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 580.3 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 585.8 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 591.5 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 597.5 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 603.2 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 608.8 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 614.6 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 620.1 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 626.1 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 631.9 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 637.5 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.6 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.6 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.3 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 661.4 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 667.8 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 673.7 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 679.3 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 685.1 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 690.8 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.4 secs Computing kpt #: 206 total cpu time spent up to now is 699.7 secs Computing kpt #: 207 total cpu time spent up to now is 702.2 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 708.5 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 714.2 secs Computing kpt #: 210 total cpu time spent up to now is 718.9 secs Computing kpt #: 211 total cpu time spent up to now is 722.7 secs Computing kpt #: 212 total cpu time spent up to now is 727.0 secs Computing kpt #: 213 total cpu time spent up to now is 730.7 secs Computing kpt #: 214 total cpu time spent up to now is 735.1 secs Computing kpt #: 215 total cpu time spent up to now is 739.0 secs Computing kpt #: 216 total cpu time spent up to now is 742.5 secs Computing kpt #: 217 total cpu time spent up to now is 745.6 secs Computing kpt #: 218 total cpu time spent up to now is 748.8 secs Computing kpt #: 219 total cpu time spent up to now is 751.7 secs Computing kpt #: 220 total cpu time spent up to now is 754.3 secs Computing kpt #: 221 total cpu time spent up to now is 757.3 secs Computing kpt #: 222 total cpu time spent up to now is 759.9 secs Computing kpt #: 223 total cpu time spent up to now is 762.4 secs Computing kpt #: 224 total cpu time spent up to now is 765.3 secs Computing kpt #: 225 total cpu time spent up to now is 768.2 secs Computing kpt #: 226 total cpu time spent up to now is 770.6 secs Computing kpt #: 227 total cpu time spent up to now is 773.1 secs Computing kpt #: 228 total cpu time spent up to now is 775.5 secs Computing kpt #: 229 total cpu time spent up to now is 778.3 secs Computing kpt #: 230 total cpu time spent up to now is 780.8 secs Computing kpt #: 231 total cpu time spent up to now is 783.2 secs Computing kpt #: 232 total cpu time spent up to now is 785.7 secs Computing kpt #: 233 total cpu time spent up to now is 789.1 secs Computing kpt #: 234 total cpu time spent up to now is 791.6 secs Computing kpt #: 235 total cpu time spent up to now is 795.1 secs Computing kpt #: 236 total cpu time spent up to now is 797.6 secs Computing kpt #: 237 total cpu time spent up to now is 800.1 secs Computing kpt #: 238 total cpu time spent up to now is 803.1 secs Computing kpt #: 239 total cpu time spent up to now is 805.6 secs Computing kpt #: 240 total cpu time spent up to now is 808.1 secs Computing kpt #: 241 total cpu time spent up to now is 810.6 secs Computing kpt #: 242 total cpu time spent up to now is 813.1 secs Computing kpt #: 243 total cpu time spent up to now is 815.5 secs Computing kpt #: 244 total cpu time spent up to now is 817.9 secs Computing kpt #: 245 total cpu time spent up to now is 820.4 secs Computing kpt #: 246 total cpu time spent up to now is 822.8 secs Computing kpt #: 247 total cpu time spent up to now is 825.3 secs Computing kpt #: 248 total cpu time spent up to now is 827.7 secs Computing kpt #: 249 total cpu time spent up to now is 830.2 secs Computing kpt #: 250 total cpu time spent up to now is 833.7 secs Computing kpt #: 251 total cpu time spent up to now is 836.1 secs Computing kpt #: 252 total cpu time spent up to now is 838.6 secs Computing kpt #: 253 total cpu time spent up to now is 841.2 secs Computing kpt #: 254 total cpu time spent up to now is 843.6 secs Computing kpt #: 255 total cpu time spent up to now is 846.2 secs Computing kpt #: 256 total cpu time spent up to now is 848.6 secs Computing kpt #: 257 total cpu time spent up to now is 851.2 secs Computing kpt #: 258 total cpu time spent up to now is 853.9 secs Computing kpt #: 259 total cpu time spent up to now is 856.8 secs Computing kpt #: 260 total cpu time spent up to now is 859.4 secs Computing kpt #: 261 total cpu time spent up to now is 862.2 secs Computing kpt #: 262 total cpu time spent up to now is 864.9 secs Computing kpt #: 263 total cpu time spent up to now is 867.4 secs Computing kpt #: 264 total cpu time spent up to now is 870.0 secs Computing kpt #: 265 total cpu time spent up to now is 872.8 secs Computing kpt #: 266 total cpu time spent up to now is 876.2 secs Computing kpt #: 267 total cpu time spent up to now is 878.7 secs Computing kpt #: 268 total cpu time spent up to now is 881.4 secs Computing kpt #: 269 total cpu time spent up to now is 883.8 secs Computing kpt #: 270 total cpu time spent up to now is 886.7 secs Computing kpt #: 271 total cpu time spent up to now is 889.8 secs Computing kpt #: 272 total cpu time spent up to now is 892.6 secs Computing kpt #: 273 total cpu time spent up to now is 895.0 secs Computing kpt #: 274 total cpu time spent up to now is 897.6 secs Computing kpt #: 275 total cpu time spent up to now is 901.2 secs Computing kpt #: 276 total cpu time spent up to now is 903.8 secs Computing kpt #: 277 total cpu time spent up to now is 906.4 secs Computing kpt #: 278 total cpu time spent up to now is 908.9 secs Computing kpt #: 279 total cpu time spent up to now is 911.9 secs Computing kpt #: 280 total cpu time spent up to now is 914.6 secs Computing kpt #: 281 total cpu time spent up to now is 917.5 secs Computing kpt #: 282 total cpu time spent up to now is 920.0 secs Computing kpt #: 283 total cpu time spent up to now is 922.6 secs Computing kpt #: 284 total cpu time spent up to now is 925.2 secs Computing kpt #: 285 total cpu time spent up to now is 927.7 secs Computing kpt #: 286 total cpu time spent up to now is 930.2 secs Computing kpt #: 287 total cpu time spent up to now is 932.7 secs Computing kpt #: 288 total cpu time spent up to now is 935.2 secs Computing kpt #: 289 total cpu time spent up to now is 939.1 secs Computing kpt #: 290 total cpu time spent up to now is 941.6 secs Computing kpt #: 291 total cpu time spent up to now is 944.1 secs Computing kpt #: 292 total cpu time spent up to now is 946.6 secs Computing kpt #: 293 total cpu time spent up to now is 949.2 secs Computing kpt #: 294 total cpu time spent up to now is 952.0 secs Computing kpt #: 295 total cpu time spent up to now is 954.2 secs Computing kpt #: 296 total cpu time spent up to now is 956.7 secs Computing kpt #: 297 total cpu time spent up to now is 960.6 secs Computing kpt #: 298 total cpu time spent up to now is 964.4 secs Computing kpt #: 299 total cpu time spent up to now is 967.6 secs Computing kpt #: 300 total cpu time spent up to now is 970.8 secs Computing kpt #: 301 total cpu time spent up to now is 973.9 secs Computing kpt #: 302 total cpu time spent up to now is 977.0 secs Computing kpt #: 303 total cpu time spent up to now is 980.7 secs Computing kpt #: 304 total cpu time spent up to now is 983.8 secs Computing kpt #: 305 total cpu time spent up to now is 987.1 secs Computing kpt #: 306 total cpu time spent up to now is 990.3 secs Computing kpt #: 307 total cpu time spent up to now is 994.5 secs Computing kpt #: 308 total cpu time spent up to now is 997.9 secs Computing kpt #: 309 total cpu time spent up to now is 1001.2 secs Computing kpt #: 310 total cpu time spent up to now is 1004.4 secs Computing kpt #: 311 total cpu time spent up to now is 1006.7 secs Computing kpt #: 312 total cpu time spent up to now is 1009.7 secs Computing kpt #: 313 total cpu time spent up to now is 1012.4 secs Computing kpt #: 314 total cpu time spent up to now is 1015.1 secs Computing kpt #: 315 total cpu time spent up to now is 1019.4 secs Computing kpt #: 316 total cpu time spent up to now is 1022.3 secs Computing kpt #: 317 total cpu time spent up to now is 1026.1 secs Computing kpt #: 318 total cpu time spent up to now is 1028.4 secs Computing kpt #: 319 total cpu time spent up to now is 1030.7 secs Computing kpt #: 320 total cpu time spent up to now is 1033.4 secs Computing kpt #: 321 total cpu time spent up to now is 1036.8 secs Computing kpt #: 322 total cpu time spent up to now is 1039.9 secs Computing kpt #: 323 total cpu time spent up to now is 1042.4 secs Computing kpt #: 324 total cpu time spent up to now is 1044.9 secs Computing kpt #: 325 total cpu time spent up to now is 1047.5 secs ethr = 1.92E-11, avg # of iterations = 41.3 total cpu time spent up to now is 1047.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -14.9475 -14.9475 -14.9474 -14.9474 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2313 -7.2313 -7.0594 -7.0594 -5.5471 -5.5471 -5.1805 -5.1805 0.9321 0.9321 1.9847 1.9847 4.6562 4.6562 5.7897 5.7897 5.8885 5.8885 5.9273 5.9273 6.0468 6.0468 6.2042 6.2042 6.2501 6.2501 6.3403 6.3403 6.3861 6.3861 6.5695 6.5695 8.5157 8.5157 9.6967 9.6967 10.1983 10.1983 10.3227 10.3227 11.6450 11.6450 k = 0.0100 0.0058-0.0000 ( 5171 PWs) bands (ev): -14.9475 -14.9475 -14.9474 -14.9474 -14.9182 -14.9182 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2302 -7.2302 -7.0583 -7.0583 -5.5463 -5.5462 -5.1797 -5.1797 0.9325 0.9325 1.9837 1.9837 4.6567 4.6568 5.7839 5.7839 5.8790 5.8800 5.9209 5.9211 6.0371 6.0371 6.2032 6.2037 6.2484 6.2484 6.3402 6.3402 6.3847 6.3847 6.5697 6.5701 8.5242 8.5243 9.6973 9.6981 10.2050 10.2053 10.3295 10.3302 11.6469 11.6477 k = 0.0200 0.0115-0.0000 ( 5155 PWs) bands (ev): -14.9474 -14.9474 -14.9474 -14.9474 -14.9183 -14.9183 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8883 -13.8883 -13.8883 -13.8883 -13.8832 -13.8832 -13.8830 -13.8830 -7.2268 -7.2268 -7.0550 -7.0550 -5.5436 -5.5436 -5.1773 -5.1773 0.9337 0.9337 1.9808 1.9808 4.6583 4.6585 5.7665 5.7665 5.8512 5.8538 5.9020 5.9028 6.0108 6.0109 6.1978 6.1989 6.2457 6.2460 6.3366 6.3367 6.3830 6.3830 6.5706 6.5715 8.5493 8.5496 9.6999 9.7015 10.2254 10.2259 10.3503 10.3517 11.6534 11.6550 k = 0.0300 0.0173-0.0000 ( 5153 PWs) bands (ev): -14.9474 -14.9474 -14.9473 -14.9473 -14.9183 -14.9183 -14.9181 -14.9181 -13.9345 -13.9345 -13.9345 -13.9345 -13.8885 -13.8885 -13.8884 -13.8884 -13.8831 -13.8831 -13.8829 -13.8829 -7.2212 -7.2212 -7.0494 -7.0494 -5.5391 -5.5391 -5.1732 -5.1732 0.9357 0.9357 1.9759 1.9759 4.6608 4.6612 5.7366 5.7369 5.8048 5.8092 5.8712 5.8730 5.9741 5.9743 6.1824 6.1835 6.2474 6.2479 6.3221 6.3223 6.3861 6.3862 6.5721 6.5733 8.5896 8.5900 9.7039 9.7062 10.2586 10.2594 10.3844 10.3864 11.6647 11.6672 k = 0.0400 0.0231-0.0000 ( 5151 PWs) bands (ev): -14.9473 -14.9473 -14.9473 -14.9473 -14.9183 -14.9183 -14.9182 -14.9182 -13.9344 -13.9344 -13.9343 -13.9343 -13.8887 -13.8887 -13.8887 -13.8887 -13.8830 -13.8830 -13.8828 -13.8828 -7.2133 -7.2133 -7.0415 -7.0415 -5.5328 -5.5328 -5.1676 -5.1675 0.9385 0.9385 1.9689 1.9689 4.6642 4.6647 5.6925 5.6937 5.7406 5.7468 5.8312 5.8334 5.9334 5.9338 6.1560 6.1567 6.2536 6.2543 6.2940 6.2944 6.3946 6.3946 6.5737 6.5753 8.6431 8.6437 9.7086 9.7115 10.3036 10.3048 10.4305 10.4330 11.6809 11.6844 k = 0.0500 0.0289-0.0000 ( 5147 PWs) bands (ev): -14.9472 -14.9472 -14.9472 -14.9472 -14.9184 -14.9184 -14.9183 -14.9183 -13.9342 -13.9342 -13.9342 -13.9342 -13.8891 -13.8891 -13.8890 -13.8890 -13.8828 -13.8828 -13.8827 -13.8827 -7.2031 -7.2031 -7.0315 -7.0315 -5.5248 -5.5248 -5.1603 -5.1603 0.9419 0.9420 1.9598 1.9598 4.6683 4.6690 5.6299 5.6321 5.6640 5.6712 5.7857 5.7875 5.8916 5.8926 6.1207 6.1208 6.2521 6.2535 6.2628 6.2643 6.4058 6.4058 6.5753 6.5770 8.7073 8.7080 9.7130 9.7164 10.3590 10.3607 10.4870 10.4898 11.7020 11.7072 k = 0.0600 0.0346-0.0000 ( 5145 PWs) bands (ev): -14.9470 -14.9470 -14.9470 -14.9470 -14.9185 -14.9185 -14.9183 -14.9183 -13.9340 -13.9340 -13.9340 -13.9340 -13.8894 -13.8894 -13.8894 -13.8894 -13.8826 -13.8826 -13.8825 -13.8825 -7.1908 -7.1907 -7.0192 -7.0192 -5.5151 -5.5151 -5.1515 -5.1515 0.9460 0.9461 1.9485 1.9485 4.6727 4.6735 5.5437 5.5452 5.5848 5.5909 5.7379 5.7389 5.8488 5.8505 6.0773 6.0784 6.2026 6.2032 6.2714 6.2715 6.4179 6.4180 6.5766 6.5784 8.7795 8.7804 9.7159 9.7197 10.4232 10.4256 10.5519 10.5549 11.7250 11.7328 k = 0.0700 0.0404-0.0000 ( 5147 PWs) bands (ev): -14.9469 -14.9469 -14.9469 -14.9469 -14.9186 -14.9186 -14.9184 -14.9184 -13.9338 -13.9338 -13.9338 -13.9338 -13.8899 -13.8899 -13.8898 -13.8898 -13.8824 -13.8824 -13.8822 -13.8822 -7.1761 -7.1761 -7.0047 -7.0047 -5.5037 -5.5037 -5.1411 -5.1411 0.9507 0.9507 1.9348 1.9348 4.6767 4.6777 5.4392 5.4402 5.5009 5.5059 5.6891 5.6893 5.8046 5.8070 6.0273 6.0299 6.1424 6.1441 6.2794 6.2795 6.4299 6.4301 6.5775 6.5794 8.8572 8.8581 9.7160 9.7202 10.4946 10.4978 10.6227 10.6255 11.7234 11.7291 k = 0.0800 0.0462-0.0000 ( 5151 PWs) bands (ev): -14.9467 -14.9467 -14.9467 -14.9467 -14.9187 -14.9187 -14.9185 -14.9185 -13.9336 -13.9336 -13.9336 -13.9336 -13.8903 -13.8903 -13.8903 -13.8903 -13.8821 -13.8821 -13.8819 -13.8819 -7.1593 -7.1593 -6.9880 -6.9880 -5.4906 -5.4905 -5.1293 -5.1293 0.9558 0.9558 1.9186 1.9186 4.6794 4.6804 5.3250 5.3267 5.4085 5.4138 5.6388 5.6395 5.7586 5.7618 5.9715 5.9762 6.0744 6.0777 6.2862 6.2862 6.4413 6.4415 6.5779 6.5798 8.9377 8.9388 9.7123 9.7168 10.5713 10.5757 10.6965 10.6990 11.7148 11.7237 k = 0.0900 0.0520-0.0000 ( 5159 PWs) bands (ev): -14.9466 -14.9466 -14.9465 -14.9465 -14.9188 -14.9188 -14.9187 -14.9187 -13.9334 -13.9333 -13.9333 -13.9333 -13.8909 -13.8909 -13.8908 -13.8908 -13.8818 -13.8818 -13.8816 -13.8816 -7.1403 -7.1403 -6.9691 -6.9691 -5.4758 -5.4758 -5.1160 -5.1160 0.9612 0.9613 1.8997 1.8998 4.6786 4.6795 5.2068 5.2104 5.3083 5.3150 5.5874 5.5887 5.7107 5.7146 5.9101 5.9177 6.0003 6.0060 6.2914 6.2915 6.4518 6.4518 6.5778 6.5796 9.0186 9.0199 9.7038 9.7084 10.6515 10.6573 10.7701 10.7719 11.7108 11.7216 k = 0.1000 0.0577-0.0000 ( 5159 PWs) bands (ev): -14.9464 -14.9464 -14.9464 -14.9464 -14.9189 -14.9189 -14.9188 -14.9188 -13.9331 -13.9331 -13.9331 -13.9331 -13.8915 -13.8915 -13.8914 -13.8914 -13.8814 -13.8814 -13.8812 -13.8812 -7.1190 -7.1190 -6.9481 -6.9481 -5.4595 -5.4595 -5.1014 -5.1014 0.9669 0.9670 1.8781 1.8781 4.6702 4.6705 5.0904 5.0981 5.2018 5.2115 5.5349 5.5368 5.6611 5.6657 5.8430 5.8543 5.9225 5.9314 6.2950 6.2952 6.4609 6.4609 6.5770 6.5789 9.0976 9.0990 9.6899 9.6944 10.7327 10.7405 10.8406 10.8411 11.7156 11.7280 k = 0.1100 0.0635-0.0000 ( 5171 PWs) bands (ev): -14.9462 -14.9462 -14.9462 -14.9462 -14.9190 -14.9190 -14.9189 -14.9189 -13.9329 -13.9329 -13.9329 -13.9328 -13.8921 -13.8921 -13.8920 -13.8920 -13.8810 -13.8810 -13.8808 -13.8808 -7.0956 -7.0956 -6.9249 -6.9249 -5.4416 -5.4416 -5.0854 -5.0854 0.9726 0.9727 1.8534 1.8534 4.6441 4.6455 4.9839 5.0001 5.0905 5.1068 5.4812 5.4836 5.6098 5.6150 5.7700 5.7848 5.8440 5.8560 6.2968 6.2970 6.4686 6.4687 6.5757 6.5776 9.1722 9.1738 9.6701 9.6746 10.8112 10.8214 10.9053 10.9067 11.7336 11.7473 k = 0.1200 0.0693-0.0000 ( 5181 PWs) bands (ev): -14.9460 -14.9460 -14.9460 -14.9460 -14.9192 -14.9192 -14.9191 -14.9191 -13.9327 -13.9326 -13.9326 -13.9326 -13.8927 -13.8927 -13.8927 -13.8927 -13.8805 -13.8805 -13.8804 -13.8804 -7.0700 -7.0700 -6.8995 -6.8995 -5.4223 -5.4222 -5.0681 -5.0681 0.9781 0.9782 1.8255 1.8256 4.5874 4.5914 4.8945 4.9298 4.9766 5.0090 5.4264 5.4293 5.5570 5.5626 5.6913 5.7078 5.7683 5.7820 6.2968 6.2972 6.4747 6.4750 6.5737 6.5756 9.2400 9.2417 9.6449 9.6491 10.8801 10.8917 10.9691 10.9715 11.7678 11.7825 k = 0.1300 0.0751-0.0000 ( 5183 PWs) bands (ev): -14.9458 -14.9458 -14.9458 -14.9458 -14.9193 -14.9193 -14.9192 -14.9192 -13.9325 -13.9324 -13.9324 -13.9324 -13.8933 -13.8933 -13.8933 -13.8933 -13.8800 -13.8800 -13.8799 -13.8798 -7.0423 -7.0423 -6.8721 -6.8721 -5.4015 -5.4014 -5.0496 -5.0496 0.9833 0.9834 1.7942 1.7943 4.4963 4.5023 4.8091 4.8530 4.9000 4.9385 5.3704 5.3739 5.5029 5.5081 5.6084 5.6236 5.6971 5.7101 6.2952 6.2956 6.4794 6.4798 6.5710 6.5730 9.2983 9.3000 9.6150 9.6188 10.9311 10.9408 11.0415 11.0419 11.8188 11.8345 k = 0.1400 0.0808-0.0000 ( 5175 PWs) bands (ev): -14.9456 -14.9456 -14.9455 -14.9455 -14.9195 -14.9194 -14.9194 -14.9193 -13.9323 -13.9323 -13.9323 -13.9323 -13.8940 -13.8940 -13.8940 -13.8940 -13.8794 -13.8794 -13.8793 -13.8793 -7.0124 -7.0124 -6.8425 -6.8425 -5.3793 -5.3793 -5.0300 -5.0300 0.9878 0.9880 1.7593 1.7594 4.3817 4.3885 4.7072 4.7352 4.8860 4.9075 5.3132 5.3173 5.4477 5.4504 5.5247 5.5354 5.6291 5.6405 6.2919 6.2924 6.4825 6.4831 6.5676 6.5697 9.3438 9.3452 9.5825 9.5854 10.9646 10.9713 11.1184 11.1212 11.8847 11.9013 k = 0.1500 0.0866-0.0000 ( 5175 PWs) bands (ev): -14.9454 -14.9454 -14.9453 -14.9453 -14.9196 -14.9196 -14.9195 -14.9195 -13.9322 -13.9321 -13.9321 -13.9321 -13.8946 -13.8946 -13.8946 -13.8946 -13.8788 -13.8788 -13.8787 -13.8787 -6.9805 -6.9804 -6.8109 -6.8109 -5.3559 -5.3558 -5.0093 -5.0093 0.9914 0.9916 1.7207 1.7208 4.2553 4.2623 4.5940 4.6147 4.8855 4.8991 5.2543 5.2594 5.3870 5.3912 5.4454 5.4468 5.5634 5.5729 6.2870 6.2876 6.4841 6.4850 6.5635 6.5658 9.3715 9.3720 9.5513 9.5527 10.9874 10.9916 11.1967 11.2024 11.9615 11.9792 k = 0.1600 0.0924-0.0000 ( 5167 PWs) bands (ev): -14.9452 -14.9452 -14.9451 -14.9451 -14.9198 -14.9197 -14.9197 -14.9196 -13.9321 -13.9321 -13.9320 -13.9320 -13.8953 -13.8953 -13.8953 -13.8952 -13.8782 -13.8782 -13.8780 -13.8780 -6.9464 -6.9464 -6.7772 -6.7772 -5.3313 -5.3312 -4.9877 -4.9877 0.9938 0.9939 1.6782 1.6783 4.1238 4.1307 4.4766 4.4938 4.8902 4.8995 5.1930 5.1999 5.3156 5.3326 5.3623 5.3761 5.4995 5.5075 6.2808 6.2813 6.4843 6.4854 6.5586 6.5610 9.3737 9.3750 9.5267 9.5276 11.0056 11.0078 11.2734 11.2817 12.0445 12.0635 k = 0.1700 0.0981-0.0000 ( 5167 PWs) bands (ev): -14.9450 -14.9450 -14.9450 -14.9450 -14.9199 -14.9199 -14.9198 -14.9198 -13.9320 -13.9320 -13.9320 -13.9320 -13.8959 -13.8959 -13.8959 -13.8959 -13.8774 -13.8774 -13.8773 -13.8773 -6.9104 -6.9103 -6.7416 -6.7416 -5.3055 -5.3055 -4.9653 -4.9653 0.9945 0.9946 1.6317 1.6319 3.9908 3.9976 4.3578 4.3731 4.8950 4.9008 5.1281 5.1384 5.2426 5.2682 5.2895 5.3150 5.4375 5.4444 6.2731 6.2738 6.4830 6.4845 6.5529 6.5556 9.3486 9.3515 9.5100 9.5130 11.0231 11.0238 11.3465 11.3571 12.1292 12.1499 k = 0.1800 0.1039-0.0000 ( 5163 PWs) bands (ev): -14.9448 -14.9448 -14.9448 -14.9448 -14.9200 -14.9200 -14.9200 -14.9199 -13.9321 -13.9321 -13.9321 -13.9321 -13.8965 -13.8965 -13.8964 -13.8964 -13.8767 -13.8767 -13.8766 -13.8766 -6.8723 -6.8723 -6.7040 -6.7039 -5.2787 -5.2787 -4.9421 -4.9421 0.9931 0.9933 1.5811 1.5813 3.8583 3.8650 4.2392 4.2532 4.8935 4.8953 5.0600 5.0764 5.1776 5.2028 5.2291 5.2578 5.3775 5.3840 6.2643 6.2650 6.4805 6.4823 6.5464 6.5493 9.3048 9.3084 9.4960 9.5003 11.0417 11.0420 11.4147 11.4276 12.2115 12.2343 k = 0.1900 0.1097-0.0000 ( 5171 PWs) bands (ev): -14.9447 -14.9447 -14.9446 -14.9446 -14.9202 -14.9201 -14.9201 -14.9201 -13.9322 -13.9322 -13.9322 -13.9322 -13.8970 -13.8970 -13.8970 -13.8970 -13.8759 -13.8759 -13.8757 -13.8757 -6.8323 -6.8322 -6.6644 -6.6644 -5.2510 -5.2510 -4.9183 -4.9183 0.9891 0.9893 1.5265 1.5268 3.7279 3.7345 4.1213 4.1346 4.8710 4.8739 4.9960 5.0197 5.1268 5.1502 5.1730 5.2026 5.3196 5.3271 6.2544 6.2551 6.4768 6.4789 6.5390 6.5422 9.2505 9.2544 9.4773 9.4822 11.0621 11.0632 11.4767 11.4918 12.2883 12.3134 k = 0.2000 0.1155-0.0000 ( 5175 PWs) bands (ev): -14.9445 -14.9445 -14.9445 -14.9445 -14.9203 -14.9203 -14.9202 -14.9202 -13.9324 -13.9324 -13.9324 -13.9324 -13.8975 -13.8975 -13.8975 -13.8975 -13.8750 -13.8750 -13.8749 -13.8749 -6.7903 -6.7903 -6.6230 -6.6230 -5.2225 -5.2225 -4.8940 -4.8940 0.9821 0.9823 1.4679 1.4682 3.6005 3.6072 4.0048 4.0177 4.8190 4.8224 4.9461 4.9723 5.0934 5.1093 5.1278 5.1493 5.2641 5.2746 6.2435 6.2443 6.4719 6.4743 6.5308 6.5343 9.1904 9.1943 9.4508 9.4561 11.0849 11.0864 11.5318 11.5491 12.3572 12.3849 k = 0.2100 0.1212-0.0000 ( 5175 PWs) bands (ev): -14.9444 -14.9444 -14.9444 -14.9444 -14.9204 -14.9204 -14.9203 -14.9203 -13.9327 -13.9327 -13.9327 -13.9326 -13.8979 -13.8979 -13.8979 -13.8979 -13.8741 -13.8741 -13.8740 -13.8740 -6.7465 -6.7464 -6.5798 -6.5798 -5.1933 -5.1933 -4.8693 -4.8693 0.9714 0.9717 1.4055 1.4058 3.4772 3.4839 3.8902 3.9028 4.7464 4.7470 4.9029 4.9271 5.0584 5.0718 5.1015 5.1152 5.2114 5.2289 6.2318 6.2326 6.4660 6.4687 6.5218 6.5255 9.1267 9.1305 9.4163 9.4218 11.1089 11.1107 11.5794 11.5987 12.4169 12.4475 k = 0.2200 0.1270-0.0000 ( 5171 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9205 -14.9205 -14.9204 -14.9204 -13.9330 -13.9330 -13.9330 -13.9330 -13.8983 -13.8983 -13.8983 -13.8983 -13.8731 -13.8731 -13.8730 -13.8730 -6.7009 -6.7008 -6.5348 -6.5348 -5.1636 -5.1635 -4.8444 -4.8444 0.9564 0.9568 1.3393 1.3397 3.3586 3.3654 3.7776 3.7901 4.6629 4.6648 4.8575 4.8796 5.0058 5.0345 5.0760 5.1191 5.1630 5.1952 6.2194 6.2202 6.4590 6.4621 6.5119 6.5160 9.0606 9.0643 9.3745 9.3801 11.1331 11.1349 11.6189 11.6401 12.4672 12.5009 k = 0.2300 0.1328-0.0000 ( 5171 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9206 -14.9206 -14.9205 -14.9205 -13.9335 -13.9335 -13.9335 -13.9334 -13.8986 -13.8986 -13.8986 -13.8986 -13.8722 -13.8722 -13.8720 -13.8720 -6.6534 -6.6534 -6.4882 -6.4882 -5.1334 -5.1333 -4.8195 -4.8195 0.9366 0.9370 1.2699 1.2703 3.2456 3.2525 3.6674 3.6799 4.5769 4.5805 4.8098 4.8304 4.9540 4.9854 5.0555 5.1053 5.1440 5.1809 6.2064 6.2072 6.4510 6.4545 6.5013 6.5058 8.9931 8.9966 9.3265 9.3323 11.1562 11.1578 11.6503 11.6732 12.5083 12.5454 k = 0.2400 0.1386-0.0000 ( 5171 PWs) bands (ev): -14.9443 -14.9443 -14.9442 -14.9442 -14.9207 -14.9206 -14.9206 -14.9206 -13.9340 -13.9340 -13.9340 -13.9339 -13.8989 -13.8989 -13.8988 -13.8988 -13.8711 -13.8711 -13.8710 -13.8710 -6.6043 -6.6043 -6.4399 -6.4399 -5.1029 -5.1028 -4.7946 -4.7946 0.9114 0.9119 1.1974 1.1979 3.1386 3.1456 3.5598 3.5723 4.4916 4.4963 4.7612 4.7809 4.9036 4.9356 5.0258 5.0629 5.1614 5.1854 6.1929 6.1938 6.4420 6.4460 6.4901 6.4948 8.9248 8.9282 9.2737 9.2796 11.1771 11.1783 11.6736 11.6981 12.5406 12.5813 k = 0.2500 0.1443-0.0000 ( 5177 PWs) bands (ev): -14.9443 -14.9443 -14.9442 -14.9442 -14.9207 -14.9207 -14.9206 -14.9206 -13.9346 -13.9346 -13.9346 -13.9345 -13.8991 -13.8991 -13.8990 -13.8990 -13.8701 -13.8701 -13.8700 -13.8700 -6.5536 -6.5535 -6.3901 -6.3901 -5.0723 -5.0722 -4.7700 -4.7700 0.8801 0.8807 1.1225 1.1231 3.0380 3.0452 3.4549 3.4675 4.4087 4.4141 4.7127 4.7317 4.8546 4.8864 4.9912 5.0206 5.1843 5.2011 6.1790 6.1799 6.4321 6.4365 6.4783 6.4834 8.8561 8.8595 9.2172 9.2231 11.1947 11.1956 11.6891 11.7149 12.5646 12.6091 k = 0.2600 0.1501-0.0000 ( 5175 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9207 -14.9207 -14.9207 -14.9207 -13.9353 -13.9352 -13.9352 -13.9352 -13.8993 -13.8993 -13.8992 -13.8992 -13.8690 -13.8690 -13.8689 -13.8689 -6.5013 -6.5012 -6.3388 -6.3388 -5.0417 -5.0416 -4.7458 -4.7458 0.8425 0.8432 1.0456 1.0464 2.9441 2.9516 3.3529 3.3656 4.3290 4.3349 4.6650 4.6834 4.8070 4.8383 4.9560 4.9807 5.2096 5.2224 6.1649 6.1658 6.4213 6.4261 6.4661 6.4715 8.7876 8.7909 9.1581 9.1641 11.2087 11.2089 11.6973 11.7242 12.5808 12.6292 k = 0.2700 0.1559-0.0000 ( 5171 PWs) bands (ev): -14.9444 -14.9444 -14.9444 -14.9444 -14.9208 -14.9207 -14.9207 -14.9207 -13.9360 -13.9360 -13.9359 -13.9359 -13.8994 -13.8994 -13.8993 -13.8993 -13.8679 -13.8679 -13.8678 -13.8678 -6.4476 -6.4475 -6.2862 -6.2862 -5.0114 -5.0113 -4.7223 -4.7223 0.7980 0.7988 0.9676 0.9684 2.8570 2.8647 3.2539 3.2668 4.2535 4.2596 4.6182 4.6362 4.7609 4.7913 4.9220 4.9434 5.2362 5.2467 6.1506 6.1516 6.4095 6.4146 6.4538 6.4593 8.7197 8.7230 9.0972 9.1033 11.2181 11.2184 11.6988 11.7265 12.5896 12.6418 k = 0.2800 0.1617-0.0000 ( 5171 PWs) bands (ev): -14.9445 -14.9445 -14.9445 -14.9445 -14.9208 -14.9207 -14.9207 -14.9207 -13.9368 -13.9367 -13.9367 -13.9367 -13.8994 -13.8994 -13.8993 -13.8993 -13.8667 -13.8667 -13.8667 -13.8667 -6.3925 -6.3924 -6.2323 -6.2323 -4.9814 -4.9813 -4.6996 -4.6996 0.7466 0.7475 0.8891 0.8900 2.7764 2.7844 3.1581 3.1711 4.1827 4.1890 4.5726 4.5902 4.7162 4.7457 4.8897 4.9087 5.2636 5.2727 6.1363 6.1373 6.3967 6.4021 6.4415 6.4471 8.6525 8.6558 9.0353 9.0415 11.2231 11.2240 11.6944 11.7228 12.5915 12.6470 k = 0.2900 0.1674-0.0000 ( 5171 PWs) bands (ev): -14.9446 -14.9446 -14.9446 -14.9446 -14.9207 -14.9207 -14.9207 -14.9207 -13.9376 -13.9376 -13.9375 -13.9375 -13.8994 -13.8994 -13.8993 -13.8993 -13.8656 -13.8656 -13.8655 -13.8655 -6.3362 -6.3361 -6.1773 -6.1773 -4.9521 -4.9520 -4.6779 -4.6779 0.6883 0.6894 0.8108 0.8118 2.7019 2.7103 3.0656 3.0788 4.1172 4.1236 4.5283 4.5457 4.6730 4.7015 4.8594 4.8764 5.2914 5.2997 6.1220 6.1230 6.3830 6.3885 6.4295 6.4350 8.5865 8.5899 8.9732 8.9795 11.2241 11.2255 11.6849 11.7137 12.5872 12.6453 k = 0.3000 0.1732-0.0000 ( 5167 PWs) bands (ev): -14.9448 -14.9448 -14.9447 -14.9447 -14.9207 -14.9207 -14.9206 -14.9206 -13.9384 -13.9384 -13.9384 -13.9383 -13.8994 -13.8994 -13.8993 -13.8993 -13.8645 -13.8645 -13.8644 -13.8644 -6.2787 -6.2786 -6.1214 -6.1213 -4.9235 -4.9234 -4.6575 -4.6575 0.6238 0.6249 0.7332 0.7343 2.6330 2.6417 2.9765 2.9900 4.0578 4.0641 4.4856 4.5026 4.6313 4.6588 4.8309 4.8463 5.3194 5.3272 6.1078 6.1088 6.3683 6.3740 6.4178 6.4231 8.5219 8.5254 8.9114 8.9178 11.2212 11.2232 11.6711 11.7002 12.5777 12.6372 k = 0.3100 0.1790-0.0000 ( 5161 PWs) bands (ev): -14.9449 -14.9449 -14.9449 -14.9449 -14.9207 -14.9206 -14.9206 -14.9206 -13.9393 -13.9393 -13.9392 -13.9392 -13.8993 -13.8993 -13.8992 -13.8992 -13.8633 -13.8633 -13.8633 -13.8633 -6.2202 -6.2201 -6.0645 -6.0645 -4.8959 -4.8958 -4.6384 -4.6384 0.5540 0.5551 0.6565 0.6576 2.5688 2.5778 2.8912 2.9048 4.0047 4.0109 4.4444 4.4613 4.5911 4.6177 4.8042 4.8182 5.3473 5.3547 6.0938 6.0948 6.3529 6.3586 6.4066 6.4116 8.4589 8.4625 8.8504 8.8570 11.2151 11.2175 11.6539 11.6831 12.5640 12.6236 k = 0.3200 0.1848-0.0000 ( 5157 PWs) bands (ev): -14.9451 -14.9451 -14.9451 -14.9451 -14.9206 -14.9206 -14.9205 -14.9205 -13.9402 -13.9401 -13.9401 -13.9401 -13.8992 -13.8992 -13.8991 -13.8991 -13.8622 -13.8622 -13.8621 -13.8621 -6.1609 -6.1607 -6.0070 -6.0070 -4.8696 -4.8695 -4.6211 -4.6211 0.4807 0.4816 0.5805 0.5814 2.5085 2.5179 2.8096 2.8233 3.9585 3.9645 4.4049 4.4216 4.5524 4.5783 4.7790 4.7918 5.3748 5.3821 6.0801 6.0812 6.3370 6.3428 6.3958 6.4004 8.3978 8.4015 8.7907 8.7973 11.2062 11.2090 11.6340 11.6631 12.5472 12.6059 k = 0.3300 0.1905-0.0000 ( 5151 PWs) bands (ev): -14.9454 -14.9454 -14.9453 -14.9453 -14.9205 -14.9205 -14.9205 -14.9204 -13.9410 -13.9410 -13.9410 -13.9409 -13.8991 -13.8991 -13.8990 -13.8990 -13.8611 -13.8611 -13.8610 -13.8610 -6.1008 -6.1007 -5.9490 -5.9490 -4.8447 -4.8446 -4.6055 -4.6055 0.4053 0.4062 0.5049 0.5057 2.4515 2.4611 2.7321 2.7458 3.9195 3.9252 4.3671 4.3838 4.5154 4.5406 4.7549 4.7668 5.4017 5.4090 6.0668 6.0678 6.3208 6.3266 6.3854 6.3897 8.3386 8.3426 8.7325 8.7393 11.1951 11.1980 11.6123 11.6411 12.5285 12.5852 k = 0.3400 0.1963-0.0000 ( 5147 PWs) bands (ev): -14.9456 -14.9456 -14.9456 -14.9456 -14.9204 -14.9204 -14.9204 -14.9204 -13.9419 -13.9419 -13.9418 -13.9418 -13.8990 -13.8990 -13.8989 -13.8989 -13.8600 -13.8600 -13.8599 -13.8599 -6.0403 -6.0401 -5.8906 -5.8906 -4.8215 -4.8214 -4.5920 -4.5920 0.3295 0.3302 0.4297 0.4303 2.3969 2.4066 2.6588 2.6724 3.8878 3.8931 4.3311 4.3479 4.4801 4.5048 4.7316 4.7427 5.4278 5.4353 6.0539 6.0549 6.3045 6.3105 6.3755 6.3794 8.2816 8.2858 8.6764 8.6832 11.1821 11.1852 11.5892 11.6177 12.5087 12.5628 k = 0.3500 0.2021-0.0000 ( 5149 PWs) bands (ev): -14.9458 -14.9458 -14.9458 -14.9458 -14.9203 -14.9203 -14.9203 -14.9203 -13.9428 -13.9427 -13.9427 -13.9427 -13.8988 -13.8988 -13.8988 -13.8987 -13.8590 -13.8590 -13.8589 -13.8589 -5.9794 -5.9793 -5.8322 -5.8322 -4.8001 -4.8000 -4.5807 -4.5806 0.2544 0.2550 0.3552 0.3556 2.3442 2.3539 2.5899 2.6031 3.8634 3.8683 4.2970 4.3139 4.4465 4.4709 4.7088 4.7192 5.4530 5.4606 6.0415 6.0425 6.2885 6.2947 6.3660 6.3696 8.2270 8.2314 8.6225 8.6294 11.1679 11.1711 11.5656 11.5936 12.4886 12.5397 k = 0.3600 0.2078-0.0000 ( 5149 PWs) bands (ev): -14.9461 -14.9461 -14.9461 -14.9460 -14.9203 -14.9202 -14.9202 -14.9202 -13.9436 -13.9436 -13.9435 -13.9435 -13.8987 -13.8987 -13.8986 -13.8986 -13.8579 -13.8579 -13.8579 -13.8579 -5.9185 -5.9183 -5.7739 -5.7739 -4.7809 -4.7808 -4.5717 -4.5717 0.1810 0.1814 0.2817 0.2820 2.2931 2.3026 2.5253 2.5381 3.8462 3.8507 4.2649 4.2821 4.4148 4.4389 4.6861 4.6959 5.4770 5.4848 6.0296 6.0306 6.2730 6.2795 6.3570 6.3603 8.1748 8.1795 8.5711 8.5781 11.1529 11.1560 11.5419 11.5693 12.4689 12.5165 k = 0.3700 0.2136-0.0000 ( 5153 PWs) bands (ev): -14.9463 -14.9463 -14.9463 -14.9463 -14.9202 -14.9201 -14.9201 -14.9201 -13.9444 -13.9444 -13.9443 -13.9443 -13.8986 -13.8985 -13.8985 -13.8984 -13.8570 -13.8570 -13.8569 -13.8569 -5.8577 -5.8575 -5.7160 -5.7160 -4.7640 -4.7639 -4.5652 -4.5652 0.1100 0.1104 0.2100 0.2102 2.2435 2.2526 2.4652 2.4773 3.8360 3.8400 4.2347 4.2523 4.3849 4.4090 4.6633 4.6726 5.4996 5.5076 6.0184 6.0193 6.2583 6.2652 6.3485 6.3515 8.1253 8.1302 8.5225 8.5295 11.1375 11.1405 11.5186 11.5452 12.4502 12.4940 k = 0.3800 0.2194-0.0000 ( 5151 PWs) bands (ev): -14.9466 -14.9466 -14.9466 -14.9465 -14.9201 -14.9200 -14.9200 -14.9200 -13.9452 -13.9451 -13.9451 -13.9451 -13.8984 -13.8984 -13.8983 -13.8983 -13.8560 -13.8560 -13.8560 -13.8560 -5.7974 -5.7972 -5.6589 -5.6589 -4.7496 -4.7495 -4.5612 -4.5612 0.0423 0.0425 0.1406 0.1407 2.1956 2.2041 2.4095 2.4208 3.8322 3.8357 4.2066 4.2247 4.3569 4.3812 4.6400 4.6490 5.5208 5.5290 6.0078 6.0087 6.2447 6.2519 6.3404 6.3432 8.0786 8.0836 8.4769 8.4838 11.1221 11.1248 11.4961 11.5217 12.4328 12.4727 k = 0.3900 0.2252-0.0000 ( 5151 PWs) bands (ev): -14.9468 -14.9468 -14.9468 -14.9468 -14.9200 -14.9200 -14.9199 -14.9199 -13.9459 -13.9459 -13.9458 -13.9458 -13.8983 -13.8982 -13.8982 -13.8981 -13.8551 -13.8551 -13.8551 -13.8551 -5.7379 -5.7377 -5.6029 -5.6028 -4.7378 -4.7377 -4.5598 -4.5598 -0.0219 -0.0217 0.0741 0.0742 2.1496 2.1574 2.3581 2.3683 3.8345 3.8372 4.1806 4.1995 4.3309 4.3556 4.6161 4.6248 5.5404 5.5487 5.9979 5.9987 6.2324 6.2399 6.3329 6.3355 8.0348 8.0399 8.4345 8.4412 11.1069 11.1094 11.4748 11.4992 12.4171 12.4530 k = 0.4000 0.2309-0.0000 ( 5147 PWs) bands (ev): -14.9471 -14.9471 -14.9470 -14.9470 -14.9199 -14.9199 -14.9198 -14.9198 -13.9466 -13.9466 -13.9465 -13.9465 -13.8981 -13.8981 -13.8980 -13.8980 -13.8543 -13.8543 -13.8543 -13.8543 -5.6796 -5.6794 -5.5483 -5.5482 -4.7287 -4.7286 -4.5609 -4.5609 -0.0818 -0.0817 0.0113 0.0113 2.1059 2.1129 2.3108 2.3200 3.8421 3.8441 4.1567 4.1766 4.3070 4.3321 4.5914 4.5999 5.5583 5.5666 5.9887 5.9895 6.2216 6.2292 6.3260 6.3284 7.9940 7.9992 8.3953 8.4019 11.0923 11.0945 11.4548 11.4779 12.4033 12.4350 k = 0.4100 0.2367-0.0000 ( 5147 PWs) bands (ev): -14.9473 -14.9473 -14.9473 -14.9472 -14.9198 -14.9198 -14.9197 -14.9197 -13.9472 -13.9472 -13.9471 -13.9471 -13.8980 -13.8980 -13.8979 -13.8979 -13.8536 -13.8536 -13.8535 -13.8535 -5.6228 -5.6226 -5.4956 -5.4955 -4.7224 -4.7223 -4.5645 -4.5645 -0.1371 -0.1371 -0.0475 -0.0473 2.0649 2.0711 2.2676 2.2757 3.8543 3.8554 4.1351 4.1562 4.2851 4.3109 4.5659 4.5742 5.5744 5.5826 5.9803 5.9811 6.2123 6.2200 6.3196 6.3218 7.9566 7.9617 8.3596 8.3659 11.0785 11.0804 11.4365 11.4580 12.3917 12.4192 k = 0.4200 0.2425-0.0000 ( 5141 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9474 -14.9197 -14.9197 -14.9196 -14.9196 -13.9478 -13.9478 -13.9477 -13.9477 -13.8978 -13.8978 -13.8977 -13.8977 -13.8529 -13.8529 -13.8528 -13.8528 -5.5683 -5.5681 -5.4453 -5.4452 -4.7189 -4.7188 -4.5702 -4.5702 -0.1876 -0.1875 -0.1015 -0.1013 2.0271 2.0325 2.2286 2.2356 3.8703 3.8704 4.1158 4.1384 4.2653 4.2920 4.5395 4.5478 5.5888 5.5967 5.9728 5.9734 6.2046 6.2122 6.3139 6.3159 7.9225 7.9275 8.3275 8.3334 11.0656 11.0672 11.4200 11.4398 12.3821 12.4055 k = 0.4300 0.2483-0.0000 ( 5138 PWs) bands (ev): -14.9477 -14.9477 -14.9476 -14.9476 -14.9196 -14.9196 -14.9196 -14.9196 -13.9483 -13.9483 -13.9482 -13.9482 -13.8977 -13.8977 -13.8976 -13.8976 -13.8522 -13.8522 -13.8522 -13.8522 -5.5165 -5.5162 -5.3981 -5.3979 -4.7179 -4.7179 -4.5778 -4.5778 -0.2327 -0.2327 -0.1503 -0.1500 1.9928 1.9974 2.1937 2.1997 3.8878 3.8893 4.0989 4.1234 4.2478 4.2754 4.5126 4.5208 5.6013 5.6089 5.9660 5.9666 6.1984 6.2058 6.3088 6.3106 7.8920 7.8967 8.2991 8.3045 11.0539 11.0552 11.4054 11.4233 12.3747 12.3940 k = 0.4400 0.2540-0.0000 ( 5140 PWs) bands (ev): -14.9479 -14.9478 -14.9478 -14.9478 -14.9196 -14.9196 -14.9195 -14.9195 -13.9487 -13.9487 -13.9487 -13.9486 -13.8976 -13.8976 -13.8975 -13.8975 -13.8517 -13.8517 -13.8516 -13.8516 -5.4681 -5.4679 -5.3545 -5.3543 -4.7193 -4.7193 -4.5868 -4.5868 -0.2724 -0.2723 -0.1934 -0.1932 1.9625 1.9663 2.1631 2.1681 3.9068 3.9101 4.0847 4.1113 4.2326 4.2611 4.4854 4.4936 5.6122 5.6191 5.9601 5.9606 6.1938 6.2007 6.3044 6.3059 7.8652 7.8696 8.2744 8.2792 11.0435 11.0446 11.3929 11.4086 12.3693 12.3848 k = 0.4500 0.2598-0.0000 ( 5128 PWs) bands (ev): -14.9480 -14.9480 -14.9480 -14.9480 -14.9195 -14.9195 -14.9194 -14.9194 -13.9491 -13.9491 -13.9490 -13.9490 -13.8975 -13.8975 -13.8974 -13.8974 -13.8512 -13.8512 -13.8512 -13.8512 -5.4242 -5.4239 -5.3154 -5.3152 -4.7225 -4.7225 -4.5966 -4.5965 -0.3063 -0.3061 -0.2306 -0.2304 1.9364 1.9395 2.1369 2.1410 3.9259 3.9313 4.0735 4.1023 4.2200 4.2491 4.4587 4.4669 5.6213 5.6274 5.9551 5.9555 6.1904 6.1966 6.3007 6.3020 7.8423 7.8462 8.2535 8.2577 11.0345 11.0353 11.3825 11.3959 12.3657 12.3776 k = 0.4600 0.2656-0.0000 ( 5124 PWs) bands (ev): -14.9481 -14.9481 -14.9481 -14.9481 -14.9195 -14.9194 -14.9194 -14.9194 -13.9494 -13.9494 -13.9494 -13.9494 -13.8975 -13.8974 -13.8974 -13.8973 -13.8508 -13.8508 -13.8508 -13.8508 -5.3856 -5.3854 -5.2815 -5.2814 -4.7270 -4.7270 -4.6064 -4.6064 -0.3342 -0.3341 -0.2614 -0.2612 1.9148 1.9172 2.1153 2.1185 3.9437 3.9513 4.0659 4.0962 4.2104 4.2390 4.4333 4.4413 5.6288 5.6339 5.9510 5.9513 6.1882 6.1934 6.2977 6.2987 7.8234 7.8267 8.2364 8.2399 11.0270 11.0276 11.3742 11.3851 12.3637 12.3723 k = 0.4700 0.2714-0.0000 ( 5132 PWs) bands (ev): -14.9482 -14.9482 -14.9482 -14.9482 -14.9194 -14.9194 -14.9194 -14.9194 -13.9497 -13.9497 -13.9496 -13.9496 -13.8974 -13.8974 -13.8973 -13.8973 -13.8505 -13.8505 -13.8505 -13.8505 -5.3536 -5.3534 -5.2539 -5.2537 -4.7320 -4.7320 -4.6155 -4.6154 -0.3561 -0.3560 -0.2857 -0.2855 1.8978 1.8996 2.0984 2.1007 3.9589 3.9679 4.0628 4.0923 4.2042 4.2306 4.4107 4.4180 5.6347 5.6387 5.9478 5.9480 6.1869 6.1910 6.2953 6.2961 7.8087 7.8113 8.2232 8.2259 11.0211 11.0216 11.3680 11.3764 12.3628 12.3686 k = 0.4800 0.2771-0.0000 ( 5126 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9499 -13.9499 -13.9498 -13.9498 -13.8973 -13.8973 -13.8972 -13.8972 -13.8503 -13.8503 -13.8503 -13.8503 -5.3294 -5.3293 -5.2334 -5.2332 -4.7365 -4.7365 -4.6228 -4.6227 -0.3717 -0.3717 -0.3031 -0.3030 1.8856 1.8868 2.0863 2.0879 3.9705 3.9787 4.0649 4.0893 4.2022 4.2232 4.3927 4.3986 5.6391 5.6419 5.9455 5.9457 6.1863 6.1892 6.2937 6.2943 7.7983 7.8000 8.2139 8.2157 11.0169 11.0172 11.3641 11.3697 12.3627 12.3662 k = 0.4900 0.2829-0.0000 ( 5112 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8502 -13.8502 -13.8501 -13.8501 -5.3143 -5.3142 -5.2207 -5.2206 -4.7397 -4.7397 -4.6276 -4.6275 -0.3812 -0.3811 -0.3136 -0.3136 1.8784 1.8790 2.0792 2.0799 3.9785 3.9834 4.0712 4.0851 4.2044 4.2163 4.3815 4.3849 5.6420 5.6434 5.9442 5.9442 6.1864 6.1878 6.2928 6.2931 7.7922 7.7930 8.2086 8.2095 11.0144 11.0145 11.3623 11.3651 12.3630 12.3647 k = 0.5000 0.2887-0.0000 ( 5106 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3091 -5.3091 -5.2163 -5.2163 -4.7408 -4.7408 -4.6292 -4.6292 -0.3843 -0.3843 -0.3171 -0.3171 1.8762 1.8762 2.0770 2.0770 3.9829 3.9829 4.0788 4.0788 4.2096 4.2096 4.3788 4.3788 5.6435 5.6435 5.9437 5.9437 6.1869 6.1869 6.2926 6.2926 7.7904 7.7904 8.2071 8.2071 11.0136 11.0136 11.3626 11.3626 12.3637 12.3637 k = 0.5000 0.2887-0.0000 ( 5106 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3091 -5.3091 -5.2163 -5.2163 -4.7408 -4.7408 -4.6292 -4.6292 -0.3843 -0.3843 -0.3171 -0.3171 1.8762 1.8762 2.0770 2.0770 3.9829 3.9829 4.0788 4.0788 4.2096 4.2096 4.3788 4.3788 5.6435 5.6435 5.9437 5.9437 6.1869 6.1869 6.2926 6.2926 7.7904 7.7904 8.2071 8.2071 11.0136 11.0136 11.3626 11.3626 12.3637 12.3637 k = 0.4943 0.2986-0.0000 ( 5118 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8502 -13.8502 -13.8501 -13.8501 -5.3082 -5.3082 -5.2155 -5.2155 -4.7405 -4.7404 -4.6290 -4.6290 -0.3844 -0.3843 -0.3175 -0.3175 1.8770 1.8777 2.0777 2.0786 3.9800 3.9816 4.0753 4.0755 4.2011 4.2046 4.3724 4.3807 5.6385 5.6485 5.9401 5.9467 6.1781 6.1905 6.2823 6.2949 7.7968 7.7973 8.2127 8.2127 11.0207 11.0213 11.3690 11.3691 12.3558 12.3740 k = 0.4885 0.3086-0.0000 ( 5130 PWs) bands (ev): -14.9482 -14.9482 -14.9482 -14.9482 -14.9194 -14.9194 -14.9194 -14.9194 -13.9498 -13.9498 -13.9498 -13.9498 -13.8974 -13.8974 -13.8973 -13.8973 -13.8503 -13.8503 -13.8502 -13.8502 -5.3056 -5.3056 -5.2132 -5.2131 -4.7394 -4.7393 -4.6283 -4.6282 -0.3845 -0.3844 -0.3186 -0.3185 1.8801 1.8815 2.0805 2.0823 3.9722 3.9757 4.0655 4.0660 4.1803 4.1860 4.3623 4.3772 5.6335 5.6530 5.9364 5.9492 6.1632 6.1882 6.2648 6.2902 7.8161 7.8171 8.2293 8.2293 11.0424 11.0437 11.3881 11.3883 12.3486 12.3879 k = 0.4828 0.3185-0.0000 ( 5142 PWs) bands (ev): -14.9481 -14.9481 -14.9481 -14.9481 -14.9195 -14.9195 -14.9195 -14.9195 -13.9496 -13.9496 -13.9496 -13.9496 -13.8975 -13.8975 -13.8974 -13.8974 -13.8504 -13.8504 -13.8504 -13.8504 -5.3013 -5.3012 -5.2092 -5.2091 -4.7377 -4.7376 -4.6271 -4.6270 -0.3848 -0.3847 -0.3203 -0.3202 1.8855 1.8877 2.0856 2.0883 3.9575 3.9631 4.0499 4.0511 4.1499 4.1558 4.3490 4.3683 5.6277 5.6554 5.9336 5.9520 6.1405 6.1764 6.2443 6.2808 7.8480 7.8493 8.2564 8.2564 11.0780 11.0803 11.4197 11.4197 12.3400 12.4061 k = 0.4770 0.3285-0.0000 ( 5142 PWs) bands (ev): -14.9479 -14.9479 -14.9479 -14.9479 -14.9196 -14.9196 -14.9196 -14.9196 -13.9494 -13.9493 -13.9493 -13.9493 -13.8977 -13.8977 -13.8976 -13.8976 -13.8507 -13.8507 -13.8506 -13.8506 -5.2952 -5.2952 -5.2036 -5.2035 -4.7352 -4.7351 -4.6254 -4.6253 -0.3853 -0.3851 -0.3228 -0.3226 1.8931 1.8961 2.0928 2.0964 3.9336 3.9412 4.0273 4.0290 4.1157 4.1204 4.3327 4.3541 5.6200 5.6540 5.9333 5.9559 6.1085 6.1488 6.2278 6.2690 7.8913 7.8929 8.2929 8.2930 11.1266 11.1304 11.4627 11.4630 12.3277 12.4292 k = 0.4713 0.3384-0.0000 ( 5130 PWs) bands (ev): -14.9477 -14.9476 -14.9476 -14.9476 -14.9198 -14.9198 -14.9197 -14.9197 -13.9490 -13.9490 -13.9489 -13.9489 -13.8980 -13.8979 -13.8979 -13.8979 -13.8509 -13.8509 -13.8509 -13.8509 -5.2874 -5.2874 -5.1965 -5.1964 -4.7322 -4.7320 -4.6234 -4.6232 -0.3860 -0.3857 -0.3260 -0.3258 1.9031 1.9068 2.1021 2.1067 3.8996 3.9090 3.9903 3.9916 4.0885 4.0916 4.3129 4.3348 5.6097 5.6476 5.9367 5.9618 6.0665 6.1046 6.2170 6.2565 7.9450 7.9468 8.3378 8.3379 11.1868 11.1927 11.5164 11.5175 12.3102 12.4577 k = 0.4655 0.3484-0.0000 ( 5124 PWs) bands (ev): -14.9473 -14.9473 -14.9473 -14.9473 -14.9200 -14.9200 -14.9199 -14.9199 -13.9485 -13.9485 -13.9485 -13.9484 -13.8983 -13.8982 -13.8981 -13.8981 -13.8513 -13.8513 -13.8512 -13.8512 -5.2780 -5.2779 -5.1878 -5.1878 -4.7285 -4.7283 -4.6210 -4.6208 -0.3869 -0.3866 -0.3301 -0.3298 1.9152 1.9198 2.1134 2.1191 3.8564 3.8673 3.9347 3.9351 4.0736 4.0757 4.2889 4.3104 5.5964 5.6359 5.9442 5.9697 6.0153 6.0486 6.2084 6.2439 8.0076 8.0094 8.3897 8.3897 11.2571 11.2658 11.5796 11.5818 12.2884 12.4914 k = 0.4598 0.3584-0.0000 ( 5132 PWs) bands (ev): -14.9470 -14.9470 -14.9469 -14.9469 -14.9202 -14.9202 -14.9202 -14.9201 -13.9480 -13.9480 -13.9479 -13.9479 -13.8986 -13.8986 -13.8985 -13.8985 -13.8516 -13.8516 -13.8516 -13.8516 -5.2669 -5.2668 -5.1777 -5.1776 -4.7243 -4.7241 -4.6183 -4.6180 -0.3881 -0.3878 -0.3349 -0.3346 1.9296 1.9350 2.1268 2.1337 3.8059 3.8181 3.8643 3.8672 4.0664 4.0680 4.2604 4.2810 5.5805 5.6197 5.9520 5.9549 5.9839 5.9849 6.1996 6.2311 8.0777 8.0794 8.4469 8.4470 11.3355 11.3480 11.6508 11.6547 12.2648 12.5102 k = 0.4540 0.3683-0.0000 ( 5132 PWs) bands (ev): -14.9466 -14.9466 -14.9465 -14.9465 -14.9205 -14.9205 -14.9204 -14.9204 -13.9474 -13.9474 -13.9473 -13.9473 -13.8990 -13.8990 -13.8989 -13.8989 -13.8521 -13.8521 -13.8520 -13.8520 -5.2542 -5.2541 -5.1661 -5.1660 -4.7196 -4.7194 -4.6153 -4.6150 -0.3897 -0.3893 -0.3406 -0.3403 1.9461 1.9525 2.1422 2.1503 3.7498 3.7632 3.7862 3.7916 4.0627 4.0639 4.2269 4.2462 5.5629 5.6005 5.8866 5.9128 5.9709 5.9956 6.1898 6.2178 8.1536 8.1552 8.5080 8.5080 11.4197 11.4372 11.7281 11.7344 12.2429 12.4856 k = 0.4483 0.3783-0.0000 ( 5136 PWs) bands (ev): -14.9462 -14.9461 -14.9461 -14.9461 -14.9207 -14.9207 -14.9207 -14.9207 -13.9467 -13.9467 -13.9466 -13.9466 -13.8995 -13.8995 -13.8994 -13.8994 -13.8525 -13.8525 -13.8525 -13.8524 -5.2399 -5.2398 -5.1531 -5.1530 -4.7145 -4.7142 -4.6122 -4.6119 -0.3917 -0.3914 -0.3472 -0.3468 1.9648 1.9722 2.1594 2.1689 3.6894 3.7040 3.7041 3.7117 4.0602 4.0608 4.1880 4.2061 5.5448 5.5800 5.8153 5.8384 5.9868 6.0100 6.1784 6.2035 8.2339 8.2352 8.5713 8.5714 11.5070 11.5306 11.8091 11.8182 12.2270 12.4673 k = 0.4425 0.3882-0.0000 ( 5138 PWs) bands (ev): -14.9457 -14.9456 -14.9456 -14.9456 -14.9211 -14.9211 -14.9210 -14.9210 -13.9460 -13.9459 -13.9459 -13.9459 -13.9000 -13.9000 -13.8999 -13.8999 -13.8530 -13.8530 -13.8529 -13.8529 -5.2241 -5.2240 -5.1388 -5.1387 -4.7091 -4.7087 -4.6091 -4.6087 -0.3943 -0.3939 -0.3547 -0.3543 1.9856 1.9941 2.1785 2.1894 3.6169 3.6282 3.6291 3.6436 4.0574 4.0575 4.1438 4.1605 5.5272 5.5597 5.7408 5.7613 6.0041 6.0254 6.1653 6.1879 8.3170 8.3181 8.6352 8.6355 11.5943 11.6241 11.8908 11.9029 12.2227 12.4602 k = 0.4368 0.3982-0.0000 ( 5126 PWs) bands (ev): -14.9451 -14.9451 -14.9451 -14.9451 -14.9214 -14.9214 -14.9214 -14.9213 -13.9451 -13.9451 -13.9451 -13.9450 -13.9006 -13.9006 -13.9005 -13.9005 -13.8535 -13.8535 -13.8534 -13.8534 -5.2069 -5.2067 -5.1232 -5.1231 -4.7034 -4.7030 -4.6060 -4.6056 -0.3976 -0.3972 -0.3631 -0.3627 2.0085 2.0181 2.1991 2.2118 3.5318 3.5448 3.5647 3.5810 4.0526 4.0535 4.0945 4.1097 5.5112 5.5408 5.6648 5.6832 6.0218 6.0414 6.1502 6.1708 8.4016 8.4025 8.6984 8.6989 11.6778 11.7119 11.9689 11.9841 12.2369 12.4676 k = 0.4310 0.4081-0.0000 ( 5134 PWs) bands (ev): -14.9446 -14.9446 -14.9445 -14.9445 -14.9218 -14.9218 -14.9217 -14.9217 -13.9442 -13.9442 -13.9442 -13.9441 -13.9013 -13.9012 -13.9012 -13.9012 -13.8540 -13.8540 -13.8539 -13.8539 -5.1882 -5.1880 -5.1063 -5.1062 -4.6976 -4.6972 -4.6030 -4.6027 -0.4015 -0.4011 -0.3725 -0.3720 2.0333 2.0443 2.2213 2.2359 3.4468 3.4619 3.5008 3.5184 4.0353 4.0474 4.0503 4.0538 5.4974 5.5241 5.5891 5.6060 6.0396 6.0576 6.1331 6.1520 8.4862 8.4869 8.7595 8.7603 11.7538 11.7859 12.0383 12.0580 12.2753 12.4926 k = 0.4253 0.4181-0.0000 ( 5134 PWs) bands (ev): -14.9440 -14.9440 -14.9439 -14.9439 -14.9222 -14.9222 -14.9221 -14.9221 -13.9433 -13.9432 -13.9432 -13.9432 -13.9020 -13.9020 -13.9019 -13.9019 -13.8545 -13.8545 -13.8544 -13.8544 -5.1682 -5.1680 -5.0884 -5.0882 -4.6918 -4.6914 -4.6004 -4.6000 -0.4062 -0.4058 -0.3828 -0.3823 2.0601 2.0725 2.2448 2.2615 3.3634 3.3807 3.4378 3.4568 3.9781 3.9932 4.0381 4.0383 5.4863 5.5088 5.5155 5.5325 6.0571 6.0736 6.1139 6.1314 8.5697 8.5703 8.8174 8.8186 11.8192 11.8397 12.0930 12.1230 12.3355 12.5132 k = 0.4195 0.4280-0.0000 ( 5134 PWs) bands (ev): -14.9434 -14.9433 -14.9433 -14.9433 -14.9226 -14.9226 -14.9226 -14.9226 -13.9423 -13.9422 -13.9422 -13.9422 -13.9028 -13.9028 -13.9027 -13.9027 -13.8549 -13.8549 -13.8549 -13.8549 -5.1469 -5.1467 -5.0694 -5.0692 -4.6861 -4.6857 -4.5983 -4.5978 -0.4118 -0.4113 -0.3940 -0.3935 2.0888 2.1027 2.2694 2.2885 3.2829 3.3024 3.3766 3.3970 3.9142 3.9285 4.0242 4.0253 5.4449 5.4574 5.4789 5.5021 6.0741 6.0891 6.0925 6.1089 8.6509 8.6514 8.8713 8.8728 11.8730 11.8742 12.1280 12.1697 12.4090 12.5225 k = 0.4138 0.4380-0.0000 ( 5132 PWs) bands (ev): -14.9428 -14.9427 -14.9427 -14.9427 -14.9231 -14.9231 -14.9230 -14.9230 -13.9412 -13.9412 -13.9411 -13.9411 -13.9036 -13.9036 -13.9035 -13.9035 -13.8554 -13.8554 -13.8554 -13.8554 -5.1245 -5.1243 -5.0494 -5.0492 -4.6806 -4.6802 -4.5967 -4.5962 -0.4183 -0.4178 -0.4060 -0.4055 2.1192 2.1349 2.2947 2.3166 3.2061 3.2279 3.3179 3.3399 3.8465 3.8605 4.0057 4.0074 5.3799 5.3919 5.4741 5.4945 6.0690 6.0837 6.0906 6.1050 8.7287 8.7293 8.9204 8.9225 11.8965 11.9165 12.1418 12.1832 12.4948 12.5633 k = 0.4080 0.4479-0.0000 ( 5126 PWs) bands (ev): -14.9421 -14.9421 -14.9420 -14.9420 -14.9235 -14.9235 -14.9235 -14.9235 -13.9401 -13.9400 -13.9400 -13.9400 -13.9045 -13.9045 -13.9045 -13.9044 -13.8559 -13.8559 -13.8558 -13.8558 -5.1009 -5.1007 -5.0285 -5.0284 -4.6756 -4.6751 -4.5959 -4.5954 -0.4257 -0.4252 -0.4188 -0.4183 2.1512 2.1688 2.3204 2.3455 3.1341 3.1582 3.2625 3.2862 3.7758 3.7900 3.9815 3.9839 5.3214 5.3326 5.4725 5.4908 6.0433 6.0572 6.1063 6.1195 8.8023 8.8030 8.9645 8.9671 11.9133 11.9523 12.1376 12.1669 12.5927 12.6210 k = 0.4023 0.4579-0.0000 ( 5110 PWs) bands (ev): -14.9414 -14.9414 -14.9414 -14.9414 -14.9240 -14.9240 -14.9240 -14.9240 -13.9390 -13.9389 -13.9389 -13.9389 -13.9055 -13.9055 -13.9054 -13.9054 -13.8563 -13.8563 -13.8563 -13.8563 -5.0763 -5.0761 -5.0069 -5.0067 -4.6711 -4.6707 -4.5961 -4.5956 -0.4340 -0.4335 -0.4322 -0.4316 2.1848 2.2045 2.3461 2.3747 3.0675 3.0940 3.2110 3.2364 3.7031 3.7178 3.9509 3.9540 5.2704 5.2809 5.4740 5.4903 6.0155 6.0285 6.1213 6.1334 8.8709 8.8717 9.0034 9.0064 11.9290 11.9830 12.1209 12.1352 12.6638 12.7111 k = 0.3966 0.4679-0.0000 ( 5118 PWs) bands (ev): -14.9408 -14.9407 -14.9407 -14.9407 -14.9245 -14.9245 -14.9245 -14.9245 -13.9378 -13.9377 -13.9377 -13.9377 -13.9066 -13.9065 -13.9065 -13.9064 -13.8567 -13.8567 -13.8567 -13.8567 -5.0508 -5.0506 -4.9846 -4.9844 -4.6674 -4.6670 -4.5974 -4.5969 -0.4460 -0.4455 -0.4432 -0.4427 2.2197 2.2419 2.3710 2.4036 3.0073 3.0363 3.1638 3.1911 3.6293 3.6450 3.9136 3.9175 5.2280 5.2377 5.4782 5.4928 5.9857 5.9978 6.1355 6.1466 8.9337 8.9348 9.0371 9.0406 11.9457 12.0096 12.0978 12.0987 12.7015 12.8239 k = 0.3908 0.4778-0.0000 ( 5112 PWs) bands (ev): -14.9401 -14.9400 -14.9400 -14.9400 -14.9251 -14.9251 -14.9250 -14.9250 -13.9366 -13.9365 -13.9365 -13.9364 -13.9076 -13.9076 -13.9075 -13.9075 -13.8571 -13.8571 -13.8570 -13.8570 -5.0245 -5.0243 -4.9618 -4.9616 -4.6647 -4.6642 -4.6000 -4.5995 -0.4601 -0.4596 -0.4532 -0.4527 2.2559 2.2806 2.3946 2.4314 2.9544 2.9855 3.1214 3.1507 3.5555 3.5727 3.8695 3.8742 5.1944 5.2035 5.4850 5.4980 5.9540 5.9652 6.1489 6.1590 8.9903 8.9917 9.0659 9.0699 11.9646 12.0268 12.0597 12.0821 12.7198 12.8350 k = 0.3851 0.4878-0.0000 ( 5112 PWs) bands (ev): -14.9394 -14.9394 -14.9394 -14.9394 -14.9256 -14.9256 -14.9256 -14.9255 -13.9353 -13.9352 -13.9352 -13.9352 -13.9087 -13.9087 -13.9087 -13.9086 -13.8574 -13.8574 -13.8574 -13.8573 -4.9975 -4.9973 -4.9386 -4.9384 -4.6630 -4.6626 -4.6042 -4.6036 -0.4742 -0.4736 -0.4639 -0.4634 2.2930 2.3206 2.4160 2.4570 2.9096 2.9421 3.0843 3.1157 3.4828 3.5024 3.8190 3.8247 5.1696 5.1781 5.4940 5.5055 5.9206 5.9309 6.1613 6.1706 9.0402 9.0419 9.0902 9.0947 11.9856 12.0183 12.0240 12.0914 12.7201 12.8156 k = 0.3793 0.4977-0.0000 ( 5124 PWs) bands (ev): -14.9388 -14.9387 -14.9387 -14.9387 -14.9261 -14.9261 -14.9261 -14.9260 -13.9341 -13.9340 -13.9340 -13.9340 -13.9099 -13.9099 -13.9098 -13.9098 -13.8577 -13.8577 -13.8576 -13.8576 -4.9699 -4.9697 -4.9151 -4.9149 -4.6627 -4.6623 -4.6101 -4.6095 -0.4880 -0.4874 -0.4751 -0.4746 2.3308 2.3615 2.4345 2.4792 2.8735 2.9061 3.0528 3.0862 3.4127 3.4357 3.7628 3.7697 5.1531 5.1610 5.5050 5.5151 5.8857 5.8951 6.1728 6.1811 9.0830 9.0850 9.1106 9.1157 11.9885 11.9956 12.0123 12.1178 12.7052 12.7850 k = 0.3736 0.5077-0.0000 ( 5128 PWs) bands (ev): -14.9381 -14.9381 -14.9381 -14.9381 -14.9266 -14.9266 -14.9266 -14.9266 -13.9328 -13.9328 -13.9328 -13.9327 -13.9110 -13.9110 -13.9110 -13.9109 -13.8579 -13.8579 -13.8579 -13.8579 -4.9419 -4.9417 -4.8914 -4.8912 -4.6640 -4.6635 -4.6179 -4.6173 -0.5012 -0.5006 -0.4866 -0.4860 2.3689 2.4028 2.4497 2.4970 2.8462 2.8766 3.0272 3.0625 3.3472 3.3749 3.7020 3.7102 5.1441 5.1514 5.5176 5.5265 5.8497 5.8582 6.1832 6.1906 9.1185 9.1204 9.1278 9.1338 11.9615 11.9723 12.0372 12.1491 12.6789 12.7462 k = 0.3678 0.5176-0.0000 ( 5132 PWs) bands (ev): -14.9375 -14.9375 -14.9375 -14.9375 -14.9272 -14.9271 -14.9271 -14.9271 -13.9316 -13.9316 -13.9315 -13.9315 -13.9122 -13.9122 -13.9121 -13.9121 -13.8581 -13.8581 -13.8581 -13.8581 -4.9135 -4.9133 -4.8678 -4.8676 -4.6670 -4.6665 -4.6278 -4.6273 -0.5135 -0.5129 -0.4980 -0.4975 2.4071 2.4436 2.4615 2.5104 2.8263 2.8517 3.0080 3.0444 3.2885 3.3226 3.6377 3.6476 5.1415 5.1481 5.5316 5.5393 5.8131 5.8206 6.1925 6.1990 9.1405 9.1438 9.1485 9.1540 11.9386 11.9517 12.0645 12.1829 12.6447 12.7019 k = 0.3621 0.5276-0.0000 ( 5136 PWs) bands (ev): -14.9369 -14.9369 -14.9369 -14.9369 -14.9276 -14.9276 -14.9276 -14.9276 -13.9304 -13.9304 -13.9304 -13.9304 -13.9133 -13.9133 -13.9133 -13.9132 -13.8583 -13.8583 -13.8582 -13.8582 -4.8850 -4.8847 -4.8443 -4.8441 -4.6720 -4.6715 -4.6401 -4.6396 -0.5244 -0.5239 -0.5092 -0.5087 2.4446 2.4705 2.4806 2.5224 2.8108 2.8286 2.9953 3.0317 3.2402 3.2820 3.5713 3.5834 5.1441 5.1500 5.5468 5.5532 5.7764 5.7829 6.2007 6.2062 9.1524 9.1571 9.1701 9.1751 11.9210 11.9349 12.0927 12.2182 12.6059 12.6542 k = 0.3563 0.5375-0.0000 ( 5134 PWs) bands (ev): -14.9364 -14.9364 -14.9364 -14.9364 -14.9281 -14.9281 -14.9280 -14.9280 -13.9293 -13.9293 -13.9293 -13.9293 -13.9144 -13.9144 -13.9143 -13.9143 -13.8584 -13.8584 -13.8584 -13.8584 -4.8564 -4.8562 -4.8211 -4.8210 -4.6791 -4.6786 -4.6548 -4.6543 -0.5338 -0.5332 -0.5197 -0.5192 2.4755 2.4832 2.5026 2.5448 2.7950 2.8038 2.9893 3.0240 3.2059 3.2563 3.5042 3.5191 5.1505 5.1555 5.5627 5.5680 5.7405 5.7458 6.2076 6.2121 9.1623 9.1675 9.1855 9.1908 11.9087 11.9221 12.1204 12.2545 12.5656 12.6053 k = 0.3506 0.5475-0.0000 ( 5134 PWs) bands (ev): -14.9360 -14.9360 -14.9360 -14.9360 -14.9285 -14.9285 -14.9284 -14.9284 -13.9284 -13.9283 -13.9283 -13.9283 -13.9153 -13.9153 -13.9153 -13.9152 -13.8585 -13.8585 -13.8585 -13.8585 -4.8280 -4.8277 -4.7985 -4.7984 -4.6885 -4.6881 -4.6721 -4.6716 -0.5410 -0.5405 -0.5291 -0.5286 2.4831 2.5084 2.5165 2.5799 2.7745 2.7754 2.9896 3.0207 3.1889 3.2468 3.4380 3.4568 5.1590 5.1631 5.5791 5.5833 5.7064 5.7104 6.2133 6.2167 9.1708 9.1762 9.1948 9.2006 11.9015 11.9131 12.1461 12.2910 12.5271 12.5571 k = 0.3448 0.5574-0.0000 ( 5138 PWs) bands (ev): -14.9357 -14.9356 -14.9356 -14.9356 -14.9288 -14.9287 -14.9287 -14.9287 -13.9276 -13.9276 -13.9275 -13.9275 -13.9161 -13.9161 -13.9161 -13.9160 -13.8585 -13.8585 -13.8585 -13.8585 -4.8000 -4.7997 -4.7767 -4.7766 -4.7004 -4.7000 -4.6920 -4.6915 -0.5459 -0.5454 -0.5371 -0.5366 2.4897 2.5093 2.5474 2.6169 2.7443 2.7480 2.9954 3.0205 3.1893 3.2528 3.3751 3.3992 5.1680 5.1708 5.5958 5.5988 5.6757 5.6780 6.2175 6.2198 9.1783 9.1839 9.1988 9.2050 11.8986 11.9074 12.1672 12.3264 12.4942 12.5125 k = 0.3391 0.5674-0.0000 ( 5148 PWs) bands (ev): -14.9354 -14.9354 -14.9354 -14.9354 -14.9290 -14.9289 -14.9289 -14.9289 -13.9271 -13.9270 -13.9270 -13.9270 -13.9166 -13.9166 -13.9166 -13.9165 -13.8586 -13.8586 -13.8586 -13.8586 -4.7730 -4.7728 -4.7563 -4.7563 -4.7148 -4.7145 -4.7136 -4.7131 -0.5480 -0.5476 -0.5432 -0.5428 2.4971 2.5081 2.5711 2.6516 2.7155 2.7185 3.0053 3.0205 3.2023 3.2710 3.3206 3.3511 5.1753 5.1768 5.6124 5.6141 5.6502 5.6507 6.2204 6.2215 9.1851 9.1907 9.1980 9.2049 11.8991 11.9039 12.1810 12.3567 12.4713 12.4764 k = 0.3333 0.5774-0.0000 ( 5148 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7537 -4.7537 -4.7453 -4.7448 -4.7277 -4.7277 -4.7269 -4.7269 -0.5473 -0.5469 -0.5469 -0.5464 2.5043 2.5043 2.5804 2.6737 2.7001 2.7001 3.0160 3.0160 3.2129 3.2903 3.2903 3.3260 5.1787 5.1787 5.6251 5.6251 5.6337 5.6356 6.2217 6.2217 9.1899 9.1949 9.1949 9.2028 11.9014 11.9014 12.1855 12.3704 12.4618 12.4618 k = 0.3333 0.5774-0.0000 ( 5148 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7537 -4.7537 -4.7453 -4.7448 -4.7277 -4.7277 -4.7269 -4.7269 -0.5473 -0.5469 -0.5469 -0.5464 2.5043 2.5043 2.5804 2.6737 2.7001 2.7001 3.0160 3.0160 3.2129 3.2903 3.2903 3.3260 5.1787 5.1787 5.6251 5.6251 5.6337 5.6356 6.2217 6.2217 9.1899 9.1949 9.1949 9.2028 11.9014 11.9014 12.1855 12.3704 12.4618 12.4618 k = 0.3276 0.5674-0.0000 ( 5148 PWs) bands (ev): -14.9354 -14.9354 -14.9354 -14.9354 -14.9290 -14.9289 -14.9289 -14.9289 -13.9270 -13.9270 -13.9270 -13.9270 -13.9166 -13.9166 -13.9166 -13.9165 -13.8586 -13.8586 -13.8586 -13.8586 -4.7748 -4.7743 -4.7567 -4.7562 -4.7138 -4.7138 -4.7127 -4.7123 -0.5483 -0.5479 -0.5427 -0.5423 2.4949 2.5062 2.5749 2.6600 2.7059 2.7216 3.0014 3.0191 3.2046 3.2873 3.3062 3.3506 5.1747 5.1762 5.6166 5.6191 5.6462 5.6463 6.2203 6.2215 9.1836 9.1897 9.1995 9.2066 11.8982 11.9034 12.1822 12.3598 12.4665 12.4781 k = 0.3218 0.5574-0.0000 ( 5140 PWs) bands (ev): -14.9356 -14.9356 -14.9356 -14.9356 -14.9288 -14.9288 -14.9288 -14.9287 -13.9275 -13.9275 -13.9275 -13.9275 -13.9162 -13.9161 -13.9161 -13.9160 -13.8586 -13.8586 -13.8585 -13.8585 -4.8063 -4.8058 -4.7793 -4.7789 -4.6956 -4.6954 -4.6891 -4.6889 -0.5464 -0.5460 -0.5348 -0.5344 2.4772 2.4920 2.5748 2.6507 2.7257 2.7482 2.9746 3.0047 3.2064 3.2933 3.3472 3.3940 5.1637 5.1666 5.6147 5.6190 5.6601 5.6614 6.2174 6.2198 9.1726 9.1792 9.2061 9.2130 11.8927 11.9025 12.1766 12.3428 12.4822 12.5084 k = 0.3161 0.5475-0.0000 ( 5134 PWs) bands (ev): -14.9359 -14.9359 -14.9359 -14.9359 -14.9285 -14.9285 -14.9285 -14.9284 -13.9282 -13.9282 -13.9282 -13.9281 -13.9155 -13.9154 -13.9154 -13.9153 -13.8585 -13.8585 -13.8585 -13.8585 -4.8415 -4.8410 -4.8059 -4.8055 -4.6791 -4.6790 -4.6647 -4.6644 -0.5411 -0.5408 -0.5230 -0.5227 2.4519 2.4631 2.5887 2.6540 2.7508 2.7723 2.9387 2.9745 3.2310 3.3158 3.3975 3.4440 5.1460 5.1498 5.6226 5.6283 5.6734 5.6758 6.2128 6.2165 9.1595 9.1664 9.2131 9.2200 11.8837 11.8963 12.1746 12.3311 12.5050 12.5421 k = 0.3103 0.5375-0.0000 ( 5132 PWs) bands (ev): -14.9363 -14.9363 -14.9362 -14.9362 -14.9282 -14.9282 -14.9282 -14.9281 -13.9290 -13.9290 -13.9290 -13.9290 -13.9146 -13.9146 -13.9146 -13.9145 -13.8585 -13.8585 -13.8585 -13.8585 -4.8800 -4.8795 -4.8358 -4.8354 -4.6642 -4.6641 -4.6411 -4.6409 -0.5323 -0.5319 -0.5073 -0.5070 2.4226 2.4297 2.6107 2.6676 2.7778 2.7916 2.8987 2.9401 3.2714 3.3508 3.4530 3.4983 5.1226 5.1271 5.6394 5.6460 5.6856 5.6892 6.2067 6.2117 9.1451 9.1521 9.2206 9.2275 11.8706 11.8835 12.1804 12.3282 12.5314 12.5758 k = 0.3046 0.5276-0.0000 ( 5128 PWs) bands (ev): -14.9367 -14.9367 -14.9367 -14.9366 -14.9278 -14.9278 -14.9278 -14.9278 -13.9299 -13.9299 -13.9298 -13.9298 -13.9137 -13.9137 -13.9137 -13.9136 -13.8585 -13.8585 -13.8584 -13.8584 -4.9215 -4.9211 -4.8689 -4.8686 -4.6509 -4.6508 -4.6189 -4.6186 -0.5195 -0.5192 -0.4874 -0.4871 2.3928 2.3971 2.6372 2.6885 2.8013 2.8054 2.8588 2.9136 3.3213 3.3947 3.5122 3.5561 5.0954 5.1002 5.6635 5.6706 5.6966 5.7014 6.1990 6.2052 9.1300 9.1370 9.2285 9.2353 11.8538 11.8651 12.1948 12.3342 12.5593 12.6081 k = 0.2989 0.5176-0.0000 ( 5114 PWs) bands (ev): -14.9371 -14.9371 -14.9371 -14.9371 -14.9275 -14.9274 -14.9274 -14.9274 -13.9308 -13.9308 -13.9307 -13.9307 -13.9128 -13.9127 -13.9127 -13.9127 -13.8584 -13.8584 -13.8584 -13.8584 -4.9659 -4.9655 -4.9051 -4.9048 -4.6394 -4.6393 -4.5980 -4.5978 -0.5026 -0.5023 -0.4634 -0.4631 2.3649 2.3673 2.6660 2.7137 2.7949 2.8212 2.8344 2.9059 3.3773 3.4450 3.5742 3.6167 5.0661 5.0710 5.6928 5.6991 5.7077 5.7125 6.1897 6.1973 9.1147 9.1216 9.2368 9.2436 11.8344 11.8431 12.2166 12.3483 12.5872 12.6384 k = 0.2931 0.5077-0.0000 ( 5106 PWs) bands (ev): -14.9376 -14.9375 -14.9375 -14.9375 -14.9271 -14.9271 -14.9270 -14.9270 -13.9317 -13.9317 -13.9316 -13.9316 -13.9119 -13.9118 -13.9118 -13.9117 -13.8584 -13.8584 -13.8584 -13.8584 -5.0131 -5.0128 -4.9443 -4.9440 -4.6299 -4.6298 -4.5787 -4.5785 -0.4815 -0.4812 -0.4353 -0.4350 2.3403 2.3414 2.6923 2.7345 2.7833 2.7947 2.8614 2.9156 3.4376 3.5000 3.6385 3.6795 5.0364 5.0412 5.7127 5.7182 5.7302 5.7362 6.1790 6.1877 9.0997 9.1065 9.2455 9.2522 11.8139 11.8199 12.2439 12.3689 12.6139 12.6660 k = 0.2874 0.4977-0.0000 ( 5102 PWs) bands (ev): -14.9380 -14.9380 -14.9380 -14.9379 -14.9267 -14.9267 -14.9267 -14.9266 -13.9326 -13.9326 -13.9325 -13.9325 -13.9109 -13.9109 -13.9109 -13.9108 -13.8584 -13.8584 -13.8584 -13.8584 -5.0629 -5.0625 -4.9864 -4.9861 -4.6225 -4.6224 -4.5611 -4.5610 -0.4560 -0.4558 -0.4030 -0.4027 2.3198 2.3200 2.7024 2.7265 2.7909 2.8005 2.8885 2.9329 3.5012 3.5588 3.7045 3.7442 5.0077 5.0123 5.7193 5.7271 5.7658 5.7731 6.1668 6.1767 9.0855 9.0920 9.2547 9.2613 11.7937 11.7972 12.2751 12.3942 12.6387 12.6905 k = 0.2816 0.4878-0.0000 ( 5108 PWs) bands (ev): -14.9384 -14.9384 -14.9384 -14.9384 -14.9263 -14.9263 -14.9263 -14.9262 -13.9334 -13.9334 -13.9333 -13.9333 -13.9100 -13.9100 -13.9100 -13.9099 -13.8585 -13.8585 -13.8584 -13.8584 -5.1151 -5.1147 -5.0312 -5.0310 -4.6172 -4.6171 -4.5454 -4.5453 -0.4262 -0.4261 -0.3666 -0.3664 2.3037 2.3042 2.6904 2.7040 2.8167 2.8372 2.9150 2.9528 3.5674 3.6205 3.7719 3.8105 4.9810 4.9855 5.7240 5.7329 5.8051 5.8124 6.1532 6.1643 9.0723 9.0786 9.2642 9.2707 11.7748 11.7763 12.3086 12.4229 12.6609 12.7115 k = 0.2759 0.4778-0.0000 ( 5116 PWs) bands (ev): -14.9389 -14.9388 -14.9388 -14.9388 -14.9260 -14.9259 -14.9259 -14.9259 -13.9341 -13.9341 -13.9340 -13.9340 -13.9092 -13.9091 -13.9091 -13.9090 -13.8585 -13.8585 -13.8585 -13.8585 -5.1694 -5.1691 -5.0786 -5.0784 -4.6141 -4.6141 -4.5317 -4.5316 -0.3921 -0.3919 -0.3263 -0.3261 2.2928 2.2937 2.6720 2.6823 2.8566 2.8799 2.9404 2.9732 3.6356 3.6845 3.8406 3.8780 4.9574 4.9617 5.7269 5.7369 5.8460 5.8533 6.1383 6.1504 9.0604 9.0664 9.2741 9.2805 11.7581 11.7583 12.3434 12.4536 12.6801 12.7287 k = 0.2701 0.4679-0.0000 ( 5112 PWs) bands (ev): -14.9393 -14.9393 -14.9392 -14.9392 -14.9256 -14.9256 -14.9256 -14.9255 -13.9348 -13.9348 -13.9347 -13.9347 -13.9083 -13.9083 -13.9083 -13.9082 -13.8586 -13.8586 -13.8586 -13.8586 -5.2257 -5.2254 -5.1283 -5.1281 -4.6134 -4.6134 -4.5201 -4.5199 -0.3537 -0.3535 -0.2823 -0.2821 2.2875 2.2887 2.6555 2.6644 2.9026 2.9264 2.9645 2.9931 3.7055 3.7505 3.9102 3.9466 4.9377 4.9419 5.7283 5.7391 5.8880 5.8951 6.1221 6.1351 9.0502 9.0558 9.2843 9.2905 11.7433 11.7448 12.3783 12.4850 12.6960 12.7421 k = 0.2644 0.4579-0.0000 ( 5118 PWs) bands (ev): -14.9397 -14.9396 -14.9396 -14.9396 -14.9253 -14.9252 -14.9252 -14.9252 -13.9355 -13.9355 -13.9354 -13.9353 -13.9075 -13.9075 -13.9075 -13.9074 -13.8587 -13.8587 -13.8587 -13.8587 -5.2838 -5.2835 -5.1802 -5.1801 -4.6150 -4.6150 -4.5106 -4.5105 -0.3110 -0.3109 -0.2347 -0.2344 2.2879 2.2893 2.6431 2.6513 2.9520 2.9757 2.9871 3.0120 3.7767 3.8180 3.9805 4.0159 4.9226 4.9268 5.7282 5.7397 5.9306 5.9374 6.1047 6.1185 9.0417 9.0469 9.2949 9.3008 11.7323 11.7346 12.4122 12.5157 12.7086 12.7518 k = 0.2586 0.4479-0.0000 ( 5118 PWs) bands (ev): -14.9400 -14.9400 -14.9400 -14.9400 -14.9249 -14.9249 -14.9249 -14.9249 -13.9360 -13.9360 -13.9359 -13.9359 -13.9068 -13.9067 -13.9067 -13.9067 -13.8589 -13.8589 -13.8589 -13.8589 -5.3434 -5.3432 -5.2340 -5.2339 -4.6190 -4.6190 -4.5033 -4.5032 -0.2643 -0.2642 -0.1837 -0.1835 2.2942 2.2958 2.6358 2.6437 3.0021 3.0100 3.0254 3.0314 3.8491 3.8868 4.0514 4.0858 4.9127 4.9170 5.7268 5.7390 5.9733 5.9799 6.0861 6.1007 9.0350 9.0398 9.3056 9.3113 11.7251 11.7281 12.4441 12.5444 12.7178 12.7584 k = 0.2529 0.4380-0.0000 ( 5118 PWs) bands (ev): -14.9404 -14.9403 -14.9403 -14.9403 -14.9246 -14.9246 -14.9246 -14.9246 -13.9365 -13.9365 -13.9364 -13.9364 -13.9061 -13.9060 -13.9060 -13.9060 -13.8591 -13.8591 -13.8591 -13.8591 -5.4043 -5.4041 -5.2895 -5.2894 -4.6253 -4.6253 -4.4983 -4.4982 -0.2137 -0.2136 -0.1297 -0.1295 2.3064 2.3082 2.6341 2.6417 3.0254 3.0443 3.0598 3.0820 3.9224 3.9566 4.1225 4.1560 4.9085 4.9130 5.7243 5.7371 6.0159 6.0220 6.0664 6.0817 9.0303 9.0346 9.3166 9.3220 11.7220 11.7255 12.4727 12.5693 12.7243 12.7629 k = 0.2471 0.4280-0.0000 ( 5122 PWs) bands (ev): -14.9407 -14.9407 -14.9406 -14.9406 -14.9244 -14.9243 -14.9243 -14.9243 -13.9369 -13.9369 -13.9368 -13.9367 -13.9054 -13.9054 -13.9054 -13.9053 -13.8594 -13.8594 -13.8593 -13.8593 -5.4664 -5.4661 -5.3465 -5.3464 -4.6340 -4.6340 -4.4957 -4.4956 -0.1593 -0.1592 -0.0729 -0.0727 2.3247 2.3266 2.6380 2.6456 3.0421 3.0580 3.1160 3.1376 3.9964 4.0273 4.1936 4.2264 4.9103 4.9151 5.7210 5.7343 6.0454 6.0581 6.0581 6.0671 9.0276 9.0314 9.3278 9.3329 11.7230 11.7268 12.4963 12.5881 12.7290 12.7671 k = 0.2414 0.4181-0.0000 ( 5124 PWs) bands (ev): -14.9410 -14.9410 -14.9409 -14.9409 -14.9241 -14.9241 -14.9240 -14.9240 -13.9372 -13.9372 -13.9371 -13.9371 -13.9048 -13.9048 -13.9048 -13.9047 -13.8597 -13.8597 -13.8596 -13.8596 -5.5292 -5.5290 -5.4047 -5.4047 -4.6450 -4.6449 -4.4953 -4.4952 -0.1013 -0.1012 -0.0136 -0.0134 2.3489 2.3509 2.6479 2.6554 3.0567 3.0698 3.1739 3.1948 4.0709 4.0985 4.2647 4.2966 4.9183 4.9236 5.7173 5.7309 6.0237 6.0394 6.0994 6.1055 9.0269 9.0302 9.3392 9.3439 11.7279 11.7319 12.5131 12.5984 12.7330 12.7731 k = 0.2356 0.4081-0.0000 ( 5128 PWs) bands (ev): -14.9412 -14.9412 -14.9412 -14.9412 -14.9238 -14.9238 -14.9238 -14.9238 -13.9374 -13.9374 -13.9373 -13.9373 -13.9043 -13.9042 -13.9042 -13.9042 -13.8601 -13.8601 -13.8600 -13.8600 -5.5928 -5.5925 -5.4640 -5.4639 -4.6582 -4.6581 -4.4972 -4.4971 -0.0401 -0.0400 0.0477 0.0479 2.3791 2.3811 2.6637 2.6713 3.0693 3.0799 3.2330 3.2533 4.1459 4.1703 4.3353 4.3664 4.9325 4.9384 5.7133 5.7272 6.0010 6.0172 6.1398 6.1455 9.0282 9.0310 9.3507 9.3550 11.7365 11.7408 12.5214 12.5986 12.7374 12.7819 k = 0.2299 0.3982-0.0000 ( 5138 PWs) bands (ev): -14.9415 -14.9415 -14.9414 -14.9414 -14.9236 -14.9236 -14.9236 -14.9235 -13.9376 -13.9376 -13.9375 -13.9375 -13.9038 -13.9037 -13.9037 -13.9037 -13.8605 -13.8605 -13.8604 -13.8604 -5.6567 -5.6565 -5.5240 -5.5239 -4.6735 -4.6735 -4.5014 -4.5013 0.0243 0.0244 0.1106 0.1109 2.4152 2.4173 2.6854 2.6933 3.0805 3.0887 3.2932 3.3128 4.2211 4.2425 4.4054 4.4356 4.9528 4.9594 5.7095 5.7236 5.9776 5.9941 6.1791 6.1843 9.0314 9.0338 9.3625 9.3664 11.7487 11.7530 12.5200 12.5887 12.7426 12.7929 k = 0.2241 0.3882-0.0000 ( 5142 PWs) bands (ev): -14.9417 -14.9417 -14.9417 -14.9416 -14.9234 -14.9234 -14.9233 -14.9233 -13.9377 -13.9377 -13.9376 -13.9375 -13.9033 -13.9032 -13.9032 -13.9032 -13.8609 -13.8609 -13.8609 -13.8609 -5.7209 -5.7208 -5.5846 -5.5845 -4.6909 -4.6909 -4.5078 -4.5077 0.0914 0.0915 0.1749 0.1751 2.4570 2.4592 2.7130 2.7212 3.0907 3.0965 3.3541 3.3731 4.2965 4.3149 4.4746 4.5040 4.9790 4.9865 5.7062 5.7205 5.9534 5.9703 6.2170 6.2218 9.0366 9.0385 9.3744 9.3779 11.7640 11.7685 12.5090 12.5702 12.7473 12.8022 k = 0.2184 0.3783-0.0000 ( 5140 PWs) bands (ev): -14.9419 -14.9419 -14.9419 -14.9418 -14.9232 -14.9232 -14.9231 -14.9231 -13.9377 -13.9377 -13.9376 -13.9375 -13.9028 -13.9028 -13.9028 -13.9028 -13.8615 -13.8615 -13.8614 -13.8614 -5.7852 -5.7850 -5.6455 -5.6455 -4.7102 -4.7102 -4.5163 -4.5162 0.1612 0.1613 0.2398 0.2401 2.5046 2.5068 2.7465 2.7552 3.1005 3.1041 3.4156 3.4338 4.3719 4.3875 4.5427 4.5712 5.0107 5.0191 5.7036 5.7181 5.9289 5.9461 6.2533 6.2578 9.0436 9.0451 9.3865 9.3895 11.7819 11.7866 12.4893 12.5447 12.7482 12.7989 k = 0.2126 0.3683-0.0000 ( 5142 PWs) bands (ev): -14.9421 -14.9421 -14.9420 -14.9420 -14.9230 -14.9230 -14.9229 -14.9229 -13.9376 -13.9376 -13.9375 -13.9375 -13.9024 -13.9024 -13.9024 -13.9024 -13.8620 -13.8620 -13.8620 -13.8620 -5.8494 -5.8492 -5.7067 -5.7066 -4.7314 -4.7313 -4.5269 -4.5269 0.2332 0.2333 0.3051 0.3053 2.5577 2.5600 2.7856 2.7951 3.1107 3.1120 3.4773 3.4950 4.4472 4.4602 4.6094 4.6370 5.0475 5.0569 5.7020 5.7168 5.9042 5.9218 6.2879 6.2921 9.0525 9.0536 9.3988 9.4014 11.8020 11.8069 12.4623 12.5134 12.7405 12.7694 k = 0.2069 0.3584-0.0000 ( 5140 PWs) bands (ev): -14.9422 -14.9422 -14.9422 -14.9422 -14.9228 -14.9228 -14.9228 -14.9227 -13.9375 -13.9375 -13.9374 -13.9373 -13.9021 -13.9020 -13.9020 -13.9020 -13.8627 -13.8626 -13.8626 -13.8626 -5.9132 -5.9131 -5.7677 -5.7677 -4.7542 -4.7542 -4.5395 -4.5394 0.3072 0.3073 0.3700 0.3703 2.6161 2.6186 2.8303 2.8408 3.1211 3.1222 3.5392 3.5562 4.5222 4.5329 4.6744 4.7010 5.0889 5.0992 5.7017 5.7168 5.8798 5.8979 6.3208 6.3245 9.0631 9.0638 9.4113 9.4135 11.8233 11.8286 12.4293 12.4772 12.7206 12.7250 k = 0.2011 0.3484-0.0000 ( 5141 PWs) bands (ev): -14.9424 -14.9424 -14.9423 -14.9423 -14.9226 -14.9226 -14.9226 -14.9226 -13.9373 -13.9373 -13.9372 -13.9371 -13.9017 -13.9017 -13.9017 -13.9017 -13.8633 -13.8633 -13.8633 -13.8633 -5.9767 -5.9765 -5.8286 -5.8286 -4.7786 -4.7785 -4.5539 -4.5539 0.3828 0.3829 0.4342 0.4344 2.6797 2.6823 2.8802 2.8922 3.1321 3.1359 3.6011 3.6175 4.5967 4.6054 4.7373 4.7629 5.1343 5.1456 5.7026 5.7182 5.8562 5.8750 6.3517 6.3550 9.0754 9.0757 9.4241 9.4258 11.8452 11.8508 12.3911 12.4367 12.6760 12.6889 k = 0.1954 0.3384-0.0000 ( 5139 PWs) bands (ev): -14.9425 -14.9425 -14.9425 -14.9425 -14.9225 -14.9224 -14.9224 -14.9224 -13.9370 -13.9370 -13.9369 -13.9369 -13.9014 -13.9014 -13.9014 -13.9014 -13.8640 -13.8640 -13.8640 -13.8640 -6.0395 -6.0394 -5.8892 -5.8891 -4.8044 -4.8043 -4.5701 -4.5700 0.4598 0.4599 0.4969 0.4971 2.7483 2.7511 2.9350 2.9491 3.1459 3.1531 3.6629 3.6786 4.6706 4.6777 4.7979 4.8222 5.1832 5.1953 5.7046 5.7208 5.8343 5.8538 6.3806 6.3835 9.0893 9.0894 9.4371 9.4384 11.8663 11.8727 12.3488 12.3924 12.6249 12.6489 k = 0.1897 0.3285-0.0000 ( 5151 PWs) bands (ev): -14.9426 -14.9426 -14.9426 -14.9426 -14.9223 -14.9223 -14.9223 -14.9223 -13.9367 -13.9367 -13.9366 -13.9366 -13.9012 -13.9011 -13.9011 -13.9011 -13.8648 -13.8648 -13.8647 -13.8647 -6.1016 -6.1015 -5.9491 -5.9491 -4.8314 -4.8313 -4.5878 -4.5878 0.5379 0.5380 0.5576 0.5578 2.8216 2.8246 2.9941 3.0114 3.1635 3.1750 3.7243 3.7394 4.7436 4.7496 4.8558 4.8785 5.2351 5.2478 5.7074 5.7241 5.8154 5.8355 6.4074 6.4100 9.1047 9.1049 9.4503 9.4513 11.8854 11.8927 12.3029 12.3447 12.5725 12.6036 k = 0.1839 0.3185-0.0000 ( 5147 PWs) bands (ev): -14.9428 -14.9427 -14.9427 -14.9427 -14.9222 -14.9221 -14.9221 -14.9221 -13.9364 -13.9364 -13.9363 -13.9363 -13.9009 -13.9009 -13.9008 -13.9008 -13.8656 -13.8656 -13.8655 -13.8655 -6.1628 -6.1627 -6.0085 -6.0085 -4.8595 -4.8594 -4.6070 -4.6070 0.6156 0.6157 0.6167 0.6169 2.8992 2.9025 3.0564 3.0788 3.1859 3.2034 3.7855 3.8000 4.8152 4.8209 4.9107 4.9313 5.2892 5.3026 5.7101 5.7263 5.8019 5.8217 6.4321 6.4343 9.1217 9.1221 9.4638 9.4643 11.9008 11.9096 12.2541 12.2940 12.5191 12.5549 k = 0.1782 0.3086-0.0000 ( 5147 PWs) bands (ev): -14.9429 -14.9429 -14.9428 -14.9428 -14.9220 -14.9220 -14.9220 -14.9220 -13.9360 -13.9360 -13.9359 -13.9359 -13.9006 -13.9006 -13.9006 -13.9006 -13.8664 -13.8664 -13.8663 -13.8663 -6.2231 -6.2230 -6.0670 -6.0670 -4.8885 -4.8884 -4.6275 -4.6275 0.6706 0.6709 0.6956 0.6957 2.9807 2.9846 3.1205 3.1509 3.2140 3.2408 3.8464 3.8603 4.8845 4.8913 4.9628 4.9801 5.3453 5.3591 5.7117 5.7252 5.7969 5.8143 6.4546 6.4565 9.1403 9.1409 9.4774 9.4776 11.9108 11.9215 12.2030 12.2406 12.4649 12.5038 k = 0.1724 0.2986-0.0000 ( 5147 PWs) bands (ev): -14.9430 -14.9430 -14.9429 -14.9429 -14.9219 -14.9219 -14.9219 -14.9218 -13.9356 -13.9356 -13.9355 -13.9355 -13.9004 -13.9004 -13.9004 -13.9003 -13.8672 -13.8672 -13.8671 -13.8671 -6.2822 -6.2821 -6.1245 -6.1245 -4.9182 -4.9182 -4.6492 -4.6492 0.7219 0.7221 0.7746 0.7747 3.0654 3.0702 3.1844 3.2257 3.2508 3.2899 3.9070 3.9203 4.9491 4.9598 5.0134 5.0248 5.4027 5.4168 5.7116 5.7205 5.8015 5.8146 6.4751 6.4765 9.1605 9.1613 9.4909 9.4911 11.9133 11.9266 12.1503 12.1849 12.4100 12.4510 k = 0.1667 0.2887-0.0000 ( 5165 PWs) bands (ev): -14.9431 -14.9431 -14.9430 -14.9430 -14.9218 -14.9217 -14.9217 -14.9217 -13.9352 -13.9351 -13.9351 -13.9350 -13.9002 -13.9002 -13.9001 -13.9001 -13.8681 -13.8681 -13.8680 -13.8680 -6.3402 -6.3401 -6.1810 -6.1810 -4.9486 -4.9485 -4.6719 -4.6718 0.7691 0.7693 0.8532 0.8533 3.1520 3.1585 3.2478 3.2851 3.3152 3.3526 3.9675 3.9802 5.0045 5.0239 5.0663 5.0671 5.4610 5.4753 5.7108 5.7152 5.8137 5.8224 6.4934 6.4945 9.1822 9.1832 9.5042 9.5047 11.9064 11.9234 12.0969 12.1274 12.3546 12.3967 k = 0.1609 0.2787-0.0000 ( 5161 PWs) bands (ev): -14.9432 -14.9432 -14.9431 -14.9431 -14.9216 -14.9216 -14.9216 -14.9215 -13.9347 -13.9347 -13.9347 -13.9346 -13.8999 -13.8999 -13.8999 -13.8999 -13.8689 -13.8689 -13.8689 -13.8689 -6.3968 -6.3967 -6.2364 -6.2364 -4.9794 -4.9794 -4.6953 -4.6953 0.8118 0.8120 0.9310 0.9311 3.2378 3.2477 3.3148 3.3383 3.4000 3.4273 4.0279 4.0402 5.0463 5.0733 5.1165 5.1248 5.5197 5.5340 5.7115 5.7125 5.8311 5.8364 6.5097 6.5105 9.2055 9.2066 9.5173 9.5181 11.8885 11.9105 12.0436 12.0685 12.2985 12.3410 k = 0.1552 0.2688-0.0000 ( 5161 PWs) bands (ev): -14.9433 -14.9433 -14.9433 -14.9433 -14.9215 -14.9214 -14.9214 -14.9214 -13.9343 -13.9343 -13.9342 -13.9342 -13.8997 -13.8997 -13.8996 -13.8996 -13.8698 -13.8698 -13.8697 -13.8697 -6.4521 -6.4520 -6.2905 -6.2905 -5.0105 -5.0105 -4.7195 -4.7195 0.8497 0.8500 1.0077 1.0078 3.3189 3.3338 3.3922 3.4038 3.4902 3.5110 4.0885 4.1005 5.0756 5.1029 5.1772 5.1873 5.5784 5.5927 5.7143 5.7157 5.8520 5.8550 6.5241 6.5245 9.2303 9.2315 9.5299 9.5310 11.8590 11.8873 11.9911 12.0089 12.2419 12.2841 k = 0.1494 0.2588-0.0000 ( 5153 PWs) bands (ev): -14.9434 -14.9434 -14.9434 -14.9434 -14.9213 -14.9213 -14.9213 -14.9213 -13.9339 -13.9339 -13.9338 -13.9338 -13.8994 -13.8994 -13.8994 -13.8994 -13.8707 -13.8707 -13.8706 -13.8706 -6.5059 -6.5058 -6.3432 -6.3432 -5.0418 -5.0417 -4.7442 -4.7442 0.8829 0.8831 1.0828 1.0829 3.3954 3.4130 3.4819 3.4863 3.5846 3.6013 4.1495 4.1612 5.0950 5.1208 5.2408 5.2507 5.6367 5.6508 5.7216 5.7247 5.8757 5.8770 6.5365 6.5367 9.2566 9.2580 9.5417 9.5430 11.8186 11.8537 11.9394 11.9491 12.1846 12.2261 k = 0.1437 0.2489-0.0000 ( 5157 PWs) bands (ev): -14.9435 -14.9435 -14.9435 -14.9435 -14.9212 -14.9212 -14.9211 -14.9211 -13.9335 -13.9335 -13.9334 -13.9334 -13.8991 -13.8991 -13.8991 -13.8991 -13.8716 -13.8716 -13.8715 -13.8715 -6.5581 -6.5580 -6.3944 -6.3944 -5.0730 -5.0729 -4.7693 -4.7693 0.9113 0.9115 1.1561 1.1562 3.4720 3.4894 3.5801 3.5817 3.6828 3.6967 4.2112 4.2227 5.1064 5.1307 5.3041 5.3135 5.6937 5.7079 5.7350 5.7394 5.9014 5.9015 6.5471 6.5472 9.2844 9.2858 9.5523 9.5538 11.7694 11.8105 11.8876 11.8898 12.1267 12.1674 k = 0.1379 0.2389-0.0000 ( 5157 PWs) bands (ev): -14.9437 -14.9437 -14.9436 -14.9436 -14.9211 -14.9210 -14.9210 -14.9210 -13.9331 -13.9331 -13.9331 -13.9330 -13.8988 -13.8988 -13.8988 -13.8988 -13.8724 -13.8724 -13.8723 -13.8723 -6.6088 -6.6087 -6.4442 -6.4442 -5.1041 -5.1040 -4.7946 -4.7946 0.9349 0.9351 1.2271 1.2272 3.5523 3.5685 3.6831 3.6836 3.7844 3.7962 4.2737 4.2852 5.1110 5.1341 5.3659 5.3749 5.7453 5.7514 5.7635 5.7660 5.9279 5.9286 6.5558 6.5562 9.3134 9.3150 9.5610 9.5628 11.7140 11.7588 11.8315 11.8347 12.0684 12.1081 k = 0.1322 0.2289-0.0000 ( 5165 PWs) bands (ev): -14.9438 -14.9438 -14.9438 -14.9438 -14.9209 -14.9209 -14.9208 -14.9208 -13.9328 -13.9328 -13.9327 -13.9327 -13.8985 -13.8985 -13.8985 -13.8985 -13.8733 -13.8733 -13.8732 -13.8732 -6.6577 -6.6576 -6.4923 -6.4923 -5.1349 -5.1349 -4.8200 -4.8200 0.9542 0.9544 1.2956 1.2957 3.6378 3.6528 3.7891 3.7892 3.8890 3.8993 4.3373 4.3491 5.1105 5.1327 5.4260 5.4346 5.7749 5.7767 5.8108 5.8203 5.9556 5.9569 6.5630 6.5636 9.3437 9.3455 9.5674 9.5693 11.6547 11.7007 11.7738 11.7799 12.0100 12.0489 k = 0.1264 0.2190-0.0000 ( 5173 PWs) bands (ev): -14.9440 -14.9440 -14.9439 -14.9439 -14.9208 -14.9207 -14.9207 -14.9207 -13.9325 -13.9325 -13.9325 -13.9324 -13.8981 -13.8981 -13.8981 -13.8981 -13.8741 -13.8741 -13.8740 -13.8740 -6.7049 -6.7048 -6.5388 -6.5388 -5.1654 -5.1653 -4.8454 -4.8454 0.9693 0.9695 1.3613 1.3614 3.7289 3.7428 3.8964 3.8971 3.9964 4.0055 4.4023 4.4147 5.1063 5.1281 5.4842 5.4923 5.8010 5.8040 5.8638 5.8736 5.9841 5.9857 6.5689 6.5697 9.3751 9.3770 9.5705 9.5725 11.5929 11.6382 11.7160 11.7231 11.9521 11.9904 k = 0.1207 0.2090-0.0000 ( 5175 PWs) bands (ev): -14.9441 -14.9441 -14.9441 -14.9441 -14.9206 -14.9206 -14.9205 -14.9205 -13.9323 -13.9323 -13.9322 -13.9322 -13.8977 -13.8977 -13.8977 -13.8977 -13.8749 -13.8749 -13.8748 -13.8748 -6.7503 -6.7503 -6.5836 -6.5835 -5.1952 -5.1952 -4.8706 -4.8705 0.9806 0.9808 1.4238 1.4239 3.8255 3.8387 4.0045 4.0058 4.1063 4.1143 4.4688 4.4821 5.1001 5.1219 5.5401 5.5477 5.8296 5.8330 5.9158 5.9252 6.0129 6.0146 6.5735 6.5745 9.4073 9.4094 9.5695 9.5717 11.5295 11.5728 11.6576 11.6643 11.8954 11.9334 k = 0.1149 0.1991-0.0000 ( 5177 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9204 -14.9204 -14.9204 -14.9203 -13.9321 -13.9321 -13.9321 -13.9321 -13.8972 -13.8972 -13.8972 -13.8972 -13.8757 -13.8757 -13.8756 -13.8756 -6.7939 -6.7938 -6.6265 -6.6265 -5.2245 -5.2244 -4.8954 -4.8954 0.9886 0.9887 1.4831 1.4832 3.9273 3.9399 4.1120 4.1140 4.2181 4.2251 4.5370 4.5516 5.0937 5.1160 5.5937 5.6008 5.8597 5.8632 5.9660 5.9748 6.0415 6.0433 6.5771 6.5782 9.4401 9.4423 9.5635 9.5658 11.4651 11.5053 11.5982 11.6036 11.8411 11.8788 k = 0.1092 0.1891-0.0000 ( 5173 PWs) bands (ev): -14.9445 -14.9445 -14.9445 -14.9445 -14.9203 -14.9203 -14.9202 -14.9202 -13.9320 -13.9320 -13.9320 -13.9320 -13.8968 -13.8967 -13.8967 -13.8967 -13.8764 -13.8764 -13.8763 -13.8763 -6.8356 -6.8355 -6.6677 -6.6677 -5.2530 -5.2529 -4.9198 -4.9198 0.9936 0.9937 1.5389 1.5390 4.0340 4.0461 4.2176 4.2204 4.3315 4.3376 4.6068 4.6234 5.0888 5.1124 5.6448 5.6515 5.8907 5.8942 6.0140 6.0221 6.0697 6.0713 6.5797 6.5810 9.4731 9.4756 9.5515 9.5539 11.3996 11.4362 11.5376 11.5412 11.7904 11.8278 k = 0.1034 0.1792-0.0000 ( 5173 PWs) bands (ev): -14.9447 -14.9447 -14.9447 -14.9447 -14.9201 -14.9201 -14.9200 -14.9200 -13.9319 -13.9319 -13.9319 -13.9319 -13.8962 -13.8962 -13.8962 -13.8962 -13.8771 -13.8771 -13.8770 -13.8770 -6.8753 -6.8753 -6.7069 -6.7069 -5.2806 -5.2806 -4.9436 -4.9436 0.9960 0.9962 1.5910 1.5911 4.1448 4.1566 4.3192 4.3230 4.4460 4.4511 4.6784 4.6974 5.0878 5.1132 5.6934 5.6996 5.9220 5.9254 6.0596 6.0671 6.0972 6.0984 6.5815 6.5829 9.5060 9.5086 9.5326 9.5350 11.3330 11.3655 11.4751 11.4767 11.7449 11.7817 k = 0.0977 0.1692-0.0000 ( 5169 PWs) bands (ev): -14.9449 -14.9449 -14.9449 -14.9449 -14.9200 -14.9199 -14.9199 -14.9198 -13.9320 -13.9319 -13.9319 -13.9319 -13.8957 -13.8957 -13.8957 -13.8957 -13.8778 -13.8778 -13.8777 -13.8777 -6.9131 -6.9131 -6.7443 -6.7443 -5.3073 -5.3073 -4.9668 -4.9667 0.9963 0.9965 1.6395 1.6396 4.2591 4.2708 4.4142 4.4190 4.5611 4.5650 4.7520 4.7739 5.0934 5.1215 5.7395 5.7452 5.9531 5.9564 6.1025 6.1096 6.1236 6.1243 6.5827 6.5841 9.5059 9.5082 9.5384 9.5413 11.2649 11.2931 11.4101 11.4101 11.7062 11.7419 k = 0.0920 0.1593-0.0000 ( 5169 PWs) bands (ev): -14.9451 -14.9451 -14.9451 -14.9451 -14.9198 -14.9198 -14.9197 -14.9197 -13.9320 -13.9320 -13.9320 -13.9320 -13.8951 -13.8951 -13.8951 -13.8951 -13.8785 -13.8784 -13.8783 -13.8783 -6.9489 -6.9489 -6.7797 -6.7796 -5.3329 -5.3329 -4.9891 -4.9891 0.9949 0.9950 1.6843 1.6844 4.3757 4.3875 4.4994 4.5050 4.6759 4.6786 4.8283 4.8526 5.1093 5.1403 5.7831 5.7883 5.9838 5.9869 6.1410 6.1486 6.1494 6.1503 6.5833 6.5848 9.4709 9.4732 9.5696 9.5727 11.1948 11.2187 11.3409 11.3420 11.6757 11.7096 k = 0.0862 0.1493-0.0000 ( 5169 PWs) bands (ev): -14.9453 -14.9453 -14.9453 -14.9453 -14.9196 -14.9196 -14.9195 -14.9195 -13.9321 -13.9321 -13.9321 -13.9321 -13.8945 -13.8945 -13.8945 -13.8945 -13.8791 -13.8790 -13.8789 -13.8789 -6.9827 -6.9826 -6.8131 -6.8130 -5.3574 -5.3574 -5.0106 -5.0106 0.9920 0.9921 1.7255 1.7256 4.4921 4.5042 4.5730 4.5787 4.7898 4.7906 4.9087 4.9336 5.1392 5.1727 5.8241 5.8289 6.0137 6.0165 6.1688 6.1712 6.1832 6.1864 6.5835 6.5851 9.4274 9.4297 9.5991 9.6025 11.1224 11.1422 11.2688 11.2703 11.6542 11.6858 k = 0.0805 0.1394-0.0000 ( 5171 PWs) bands (ev): -14.9455 -14.9455 -14.9455 -14.9455 -14.9195 -14.9195 -14.9194 -14.9194 -13.9323 -13.9323 -13.9322 -13.9322 -13.8938 -13.8938 -13.8938 -13.8938 -13.8796 -13.8796 -13.8795 -13.8795 -7.0144 -7.0143 -6.8444 -6.8444 -5.3807 -5.3807 -5.0312 -5.0312 0.9881 0.9882 1.7630 1.7631 4.5934 4.6016 4.6506 4.6515 4.8997 4.9015 4.9946 5.0169 5.1858 5.2201 5.8627 5.8670 6.0428 6.0453 6.1905 6.1918 6.2173 6.2205 6.5834 6.5851 9.3755 9.3776 9.6264 9.6300 11.0474 11.0636 11.1937 11.1950 11.6418 11.6708 k = 0.0747 0.1294-0.0000 ( 5167 PWs) bands (ev): -14.9458 -14.9458 -14.9457 -14.9457 -14.9193 -14.9193 -14.9192 -14.9192 -13.9325 -13.9324 -13.9324 -13.9324 -13.8932 -13.8932 -13.8932 -13.8932 -13.8801 -13.8801 -13.8800 -13.8800 -7.0440 -7.0439 -6.8737 -6.8737 -5.4027 -5.4027 -5.0507 -5.0507 0.9833 0.9834 1.7970 1.7971 4.6453 4.6476 4.7574 4.7635 5.0044 5.0095 5.0865 5.1028 5.2486 5.2812 5.8990 5.9028 6.0709 6.0732 6.2096 6.2103 6.2489 6.2516 6.5830 6.5848 9.3155 9.3175 9.6509 9.6547 10.9700 10.9829 11.1156 11.1163 11.6381 11.6643 k = 0.0690 0.1195-0.0000 ( 5159 PWs) bands (ev): -14.9460 -14.9460 -14.9460 -14.9460 -14.9192 -14.9192 -14.9191 -14.9191 -13.9327 -13.9326 -13.9326 -13.9326 -13.8926 -13.8926 -13.8926 -13.8926 -13.8806 -13.8806 -13.8805 -13.8805 -7.0715 -7.0714 -6.9010 -6.9009 -5.4233 -5.4233 -5.0690 -5.0690 0.9780 0.9781 1.8276 1.8277 4.6692 4.6707 4.8777 4.8853 5.1036 5.1118 5.1833 5.1921 5.3242 5.3530 5.9331 5.9365 6.0982 6.1000 6.2262 6.2264 6.2775 6.2797 6.5825 6.5843 9.2485 9.2503 9.6720 9.6760 10.8904 10.9007 11.0349 11.0350 11.6419 11.6654 k = 0.0632 0.1095-0.0000 ( 5163 PWs) bands (ev): -14.9462 -14.9462 -14.9462 -14.9462 -14.9190 -14.9190 -14.9189 -14.9189 -13.9329 -13.9329 -13.9329 -13.9329 -13.8920 -13.8920 -13.8920 -13.8920 -13.8810 -13.8810 -13.8809 -13.8809 -7.0968 -7.0968 -6.9261 -6.9261 -5.4425 -5.4425 -5.0862 -5.0862 0.9724 0.9725 1.8550 1.8551 4.6806 4.6820 4.9999 5.0081 5.1972 5.2069 5.2822 5.2847 5.4075 5.4318 5.9654 5.9684 6.1245 6.1260 6.2401 6.2404 6.3029 6.3045 6.5818 6.5837 9.1755 9.1771 9.6893 9.6935 10.8093 10.8173 10.9516 10.9525 11.6518 11.6727 k = 0.0575 0.0995-0.0000 ( 5163 PWs) bands (ev): -14.9464 -14.9464 -14.9464 -14.9464 -14.9189 -14.9189 -14.9188 -14.9188 -13.9331 -13.9331 -13.9331 -13.9331 -13.8914 -13.8914 -13.8914 -13.8914 -13.8814 -13.8814 -13.8813 -13.8813 -7.1201 -7.1200 -6.9491 -6.9491 -5.4603 -5.4602 -5.1021 -5.1021 0.9667 0.9668 1.8793 1.8794 4.6846 4.6860 5.1214 5.1298 5.2858 5.2950 5.3789 5.3803 5.4940 5.5137 5.9961 5.9987 6.1502 6.1512 6.2514 6.2520 6.3250 6.3260 6.5811 6.5830 9.0979 9.0993 9.7026 9.7068 10.7276 10.7338 10.8674 10.8692 11.6662 11.6846 k = 0.0517 0.0896-0.0000 ( 5163 PWs) bands (ev): -14.9466 -14.9466 -14.9466 -14.9466 -14.9188 -14.9188 -14.9187 -14.9186 -13.9334 -13.9334 -13.9333 -13.9333 -13.8908 -13.8908 -13.8908 -13.8908 -13.8818 -13.8818 -13.8816 -13.8816 -7.1411 -7.1411 -6.9700 -6.9700 -5.4765 -5.4764 -5.1166 -5.1166 0.9610 0.9611 1.9007 1.9007 4.6843 4.6856 5.2406 5.2491 5.3697 5.3773 5.4713 5.4748 5.5799 5.5956 6.0257 6.0278 6.1751 6.1756 6.2601 6.2611 6.3437 6.3442 6.5802 6.5822 9.0174 9.0187 9.7116 9.7159 10.6464 10.6513 10.7838 10.7862 11.6830 11.6991 k = 0.0460 0.0796-0.0000 ( 5159 PWs) bands (ev): -14.9467 -14.9467 -14.9467 -14.9467 -14.9187 -14.9187 -14.9185 -14.9185 -13.9336 -13.9336 -13.9336 -13.9336 -13.8903 -13.8903 -13.8903 -13.8903 -13.8821 -13.8821 -13.8819 -13.8819 -7.1600 -7.1600 -6.9887 -6.9887 -5.4911 -5.4911 -5.1298 -5.1298 0.9556 0.9557 1.9193 1.9193 4.6815 4.6827 5.3560 5.3644 5.4488 5.4545 5.5591 5.5636 5.6625 5.6746 6.0546 6.0561 6.1991 6.1992 6.2667 6.2681 6.3588 6.3588 6.5792 6.5812 8.9358 8.9369 9.7167 9.7209 10.5672 10.5709 10.7022 10.7049 11.7005 11.7143 k = 0.0402 0.0697-0.0000 ( 5147 PWs) bands (ev): -14.9469 -14.9469 -14.9469 -14.9469 -14.9186 -14.9186 -14.9184 -14.9184 -13.9338 -13.9338 -13.9338 -13.9338 -13.8898 -13.8898 -13.8898 -13.8898 -13.8824 -13.8824 -13.8822 -13.8822 -7.1767 -7.1766 -7.0052 -7.0052 -5.5041 -5.5040 -5.1415 -5.1415 0.9505 0.9506 1.9353 1.9353 4.6774 4.6784 5.4658 5.4740 5.5225 5.5265 5.6402 5.6450 5.7394 5.7486 6.0831 6.0840 6.2209 6.2216 6.2721 6.2739 6.3698 6.3702 6.5780 6.5801 8.8551 8.8561 9.7182 9.7223 10.4915 10.4943 10.6242 10.6272 11.7168 11.7284 k = 0.0345 0.0597-0.0000 ( 5155 PWs) bands (ev): -14.9470 -14.9470 -14.9470 -14.9470 -14.9185 -14.9185 -14.9183 -14.9183 -13.9340 -13.9340 -13.9340 -13.9340 -13.8894 -13.8894 -13.8894 -13.8894 -13.8826 -13.8826 -13.8825 -13.8825 -7.1911 -7.1911 -7.0196 -7.0196 -5.5154 -5.5154 -5.1517 -5.1517 0.9459 0.9459 1.9488 1.9489 4.6728 4.6736 5.5673 5.5750 5.5905 5.5932 5.7128 5.7175 5.8091 5.8158 6.1115 6.1117 6.2381 6.2392 6.2794 6.2814 6.3773 6.3779 6.5767 6.5787 8.7777 8.7785 9.7168 9.7205 10.4210 10.4232 10.5515 10.5546 11.7279 11.7313 k = 0.0287 0.0498-0.0000 ( 5155 PWs) bands (ev): -14.9472 -14.9472 -14.9472 -14.9472 -14.9184 -14.9184 -14.9183 -14.9183 -13.9342 -13.9342 -13.9342 -13.9342 -13.8890 -13.8890 -13.8890 -13.8890 -13.8828 -13.8828 -13.8827 -13.8827 -7.2034 -7.2034 -7.0317 -7.0317 -5.5250 -5.5250 -5.1605 -5.1605 0.9418 0.9419 1.9600 1.9601 4.6683 4.6689 5.6459 5.6482 5.6638 5.6702 5.7759 5.7801 5.8710 5.8755 6.1388 6.1392 6.2466 6.2473 6.2932 6.2946 6.3812 6.3820 6.5753 6.5771 8.7058 8.7065 9.7133 9.7166 10.3575 10.3591 10.4861 10.4890 11.7018 11.7064 k = 0.0230 0.0398-0.0000 ( 5153 PWs) bands (ev): -14.9473 -14.9473 -14.9473 -14.9473 -14.9183 -14.9183 -14.9182 -14.9182 -13.9344 -13.9344 -13.9343 -13.9343 -13.8887 -13.8887 -13.8887 -13.8887 -13.8830 -13.8830 -13.8828 -13.8828 -7.2134 -7.2134 -7.0417 -7.0417 -5.5330 -5.5330 -5.1677 -5.1677 0.9384 0.9384 1.9691 1.9691 4.6642 4.6647 5.6977 5.6985 5.7421 5.7479 5.8289 5.8321 5.9251 5.9279 6.1640 6.1649 6.2475 6.2476 6.3113 6.3119 6.3823 6.3830 6.5737 6.5753 8.6421 8.6426 9.7086 9.7115 10.3027 10.3038 10.4297 10.4322 11.6806 11.6840 k = 0.0172 0.0299-0.0000 ( 5149 PWs) bands (ev): -14.9474 -14.9474 -14.9473 -14.9473 -14.9183 -14.9183 -14.9181 -14.9181 -13.9345 -13.9345 -13.9345 -13.9345 -13.8885 -13.8885 -13.8884 -13.8884 -13.8831 -13.8831 -13.8829 -13.8829 -7.2213 -7.2212 -7.0495 -7.0495 -5.5392 -5.5392 -5.1733 -5.1733 0.9357 0.9357 1.9760 1.9760 4.6608 4.6611 5.7379 5.7382 5.8056 5.8100 5.8712 5.8732 5.9720 5.9734 6.1849 6.1861 6.2456 6.2457 6.3275 6.3277 6.3818 6.3823 6.5721 6.5733 8.5890 8.5894 9.7039 9.7061 10.2581 10.2589 10.3838 10.3858 11.6645 11.6669 k = 0.0115 0.0199-0.0000 ( 5153 PWs) bands (ev): -14.9474 -14.9474 -14.9474 -14.9474 -14.9183 -14.9183 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8883 -13.8883 -13.8883 -13.8883 -13.8832 -13.8832 -13.8830 -13.8830 -7.2268 -7.2268 -7.0550 -7.0550 -5.5436 -5.5436 -5.1773 -5.1773 0.9337 0.9337 1.9808 1.9808 4.6582 4.6585 5.7667 5.7668 5.8516 5.8541 5.9021 5.9030 6.0107 6.0111 6.1982 6.1993 6.2455 6.2457 6.3374 6.3375 6.3824 6.3825 6.5706 6.5715 8.5490 8.5493 9.6999 9.7014 10.2252 10.2256 10.3500 10.3515 11.6533 11.6549 k = 0.0057 0.0100-0.0000 ( 5167 PWs) bands (ev): -14.9475 -14.9475 -14.9474 -14.9474 -14.9182 -14.9182 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2302 -7.2302 -7.0583 -7.0583 -5.5463 -5.5463 -5.1797 -5.1797 0.9325 0.9325 1.9837 1.9837 4.6567 4.6568 5.7839 5.7840 5.8791 5.8801 5.9210 5.9211 6.0372 6.0373 6.2032 6.2037 6.2484 6.2484 6.3402 6.3402 6.3847 6.3847 6.5697 6.5701 8.5241 8.5242 9.6973 9.6981 10.2050 10.2052 10.3294 10.3302 11.6469 11.6476 k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -14.9475 -14.9475 -14.9474 -14.9474 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2313 -7.2313 -7.0594 -7.0594 -5.5471 -5.5471 -5.1805 -5.1805 0.9321 0.9321 1.9847 1.9847 4.6562 4.6562 5.7897 5.7897 5.8885 5.8885 5.9273 5.9273 6.0468 6.0468 6.2042 6.2042 6.2501 6.2501 6.3403 6.3403 6.3861 6.3861 6.5695 6.5695 8.5157 8.5157 9.6967 9.6967 10.1983 10.1983 10.3227 10.3227 11.6450 11.6450 k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -14.9475 -14.9475 -14.9474 -14.9474 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2313 -7.2313 -7.0594 -7.0594 -5.5471 -5.5471 -5.1805 -5.1805 0.9321 0.9321 1.9847 1.9847 4.6562 4.6562 5.7897 5.7897 5.8885 5.8885 5.9273 5.9273 6.0468 6.0468 6.2042 6.2042 6.2501 6.2501 6.3403 6.3403 6.3861 6.3861 6.5695 6.5695 8.5157 8.5157 9.6967 9.6967 10.1983 10.1983 10.3227 10.3227 11.6450 11.6450 k = 0.0000 0.0000 0.0110 ( 5161 PWs) bands (ev): -14.9475 -14.9475 -14.9474 -14.9474 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2308 -7.2308 -7.0601 -7.0601 -5.5459 -5.5459 -5.1817 -5.1817 0.9347 0.9347 1.9800 1.9800 4.6625 4.6625 5.7900 5.7900 5.8879 5.8879 5.9275 5.9275 6.0462 6.0462 6.2047 6.2047 6.2508 6.2508 6.3399 6.3399 6.3857 6.3857 6.5617 6.5617 8.5220 8.5220 9.6941 9.6941 10.1986 10.1986 10.3223 10.3223 11.6453 11.6453 k = 0.0000 0.0000 0.0221 ( 5161 PWs) bands (ev): -14.9475 -14.9475 -14.9474 -14.9474 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2295 -7.2295 -7.0620 -7.0620 -5.5423 -5.5423 -5.1850 -5.1850 0.9425 0.9425 1.9662 1.9662 4.6811 4.6811 5.7909 5.7909 5.8861 5.8861 5.9283 5.9283 6.0443 6.0443 6.2064 6.2064 6.2528 6.2528 6.3389 6.3389 6.3848 6.3848 6.5389 6.5389 8.5406 8.5406 9.6863 9.6863 10.1997 10.1997 10.3210 10.3210 11.6463 11.6463 k = 0.0000 0.0000 0.0331 ( 5155 PWs) bands (ev): -14.9475 -14.9475 -14.9474 -14.9474 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2272 -7.2272 -7.0652 -7.0652 -5.5363 -5.5363 -5.1905 -5.1905 0.9555 0.9555 1.9436 1.9436 4.7116 4.7116 5.7923 5.7923 5.8832 5.8832 5.9297 5.9297 6.0414 6.0414 6.2092 6.2092 6.2560 6.2560 6.3372 6.3372 6.3832 6.3832 6.5020 6.5020 8.5706 8.5706 9.6733 9.6733 10.2015 10.2015 10.3190 10.3190 11.6480 11.6480 k = 0.0000 0.0000 0.0441 ( 5161 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2240 -7.2240 -7.0695 -7.0695 -5.5281 -5.5281 -5.1982 -5.1982 0.9735 0.9735 1.9130 1.9130 4.7532 4.7532 5.7944 5.7944 5.8792 5.8792 5.9315 5.9315 6.0375 6.0375 6.2129 6.2129 6.2603 6.2603 6.3348 6.3348 6.3810 6.3810 6.4525 6.4525 8.6104 8.6104 9.6553 9.6553 10.2040 10.2040 10.3161 10.3161 11.6503 11.6503 k = 0.0000 0.0000 0.0552 ( 5161 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2199 -7.2199 -7.0749 -7.0749 -5.5177 -5.5177 -5.2079 -5.2079 0.9964 0.9964 1.8754 1.8754 4.8049 4.8049 5.7971 5.7971 5.8740 5.8740 5.9339 5.9339 6.0327 6.0327 6.2175 6.2175 6.2655 6.2655 6.3318 6.3318 6.3782 6.3782 6.3922 6.3922 8.6584 8.6584 9.6322 9.6322 10.2072 10.2072 10.3124 10.3124 11.6533 11.6533 k = 0.0000 0.0000 0.0662 ( 5161 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8833 -13.8833 -13.8831 -13.8831 -7.2151 -7.2151 -7.0813 -7.0813 -5.5053 -5.5053 -5.2194 -5.2194 1.0241 1.0241 1.8318 1.8318 4.8658 4.8658 5.8003 5.8003 5.8677 5.8677 5.9368 5.9368 6.0273 6.0273 6.2226 6.2226 6.2714 6.2714 6.3232 6.3232 6.3281 6.3281 6.3747 6.3747 8.7130 8.7130 9.6042 9.6042 10.2110 10.2110 10.3081 10.3081 11.6568 11.6568 k = 0.0000 0.0000 0.0772 ( 5161 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8832 -13.8832 -13.8831 -13.8831 -7.2094 -7.2094 -7.0886 -7.0886 -5.4912 -5.4912 -5.2328 -5.2328 1.0563 1.0563 1.7832 1.7832 4.9347 4.9347 5.8041 5.8041 5.8599 5.8599 5.9401 5.9401 6.0213 6.0213 6.2254 6.2254 6.2502 6.2502 6.2780 6.2780 6.3239 6.3239 6.3708 6.3708 8.7725 8.7725 9.5714 9.5714 10.2154 10.2154 10.3032 10.3032 11.6609 11.6609 k = 0.0000 0.0000 0.0882 ( 5179 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8832 -13.8832 -13.8831 -13.8831 -7.2030 -7.2030 -7.0966 -7.0966 -5.4754 -5.4754 -5.2478 -5.2478 1.0929 1.0929 1.7308 1.7308 5.0105 5.0105 5.8086 5.8086 5.8503 5.8503 5.9439 5.9439 6.0150 6.0150 6.1637 6.1637 6.2374 6.2374 6.2850 6.2850 6.3191 6.3191 6.3662 6.3662 8.8354 8.8354 9.5340 9.5340 10.2203 10.2203 10.2977 10.2977 11.6654 11.6654 k = 0.0000 0.0000 0.0993 ( 5173 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8832 -13.8832 -13.8831 -13.8831 -7.1958 -7.1958 -7.1052 -7.1052 -5.4583 -5.4583 -5.2641 -5.2641 1.1336 1.1336 1.6754 1.6754 5.0921 5.0921 5.8136 5.8136 5.8375 5.8375 5.9482 5.9482 6.0084 6.0084 6.0811 6.0811 6.2438 6.2438 6.2923 6.2923 6.3137 6.3137 6.3612 6.3612 8.9006 8.9006 9.4921 9.4921 10.2257 10.2257 10.2918 10.2918 11.6704 11.6704 k = 0.0000 0.0000 0.1103 ( 5173 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8832 -13.8832 -13.8831 -13.8831 -7.1881 -7.1881 -7.1142 -7.1142 -5.4400 -5.4400 -5.2818 -5.2818 1.1779 1.1779 1.6181 1.6181 5.1784 5.1784 5.8179 5.8179 5.8193 5.8193 5.9529 5.9529 6.0010 6.0010 6.0017 6.0017 6.2509 6.2509 6.2998 6.2998 6.3079 6.3079 6.3557 6.3557 8.9668 8.9668 9.4461 9.4461 10.2316 10.2316 10.2854 10.2854 11.6758 11.6758 k = 0.0000 0.0000 0.1213 ( 5185 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9347 -13.9347 -13.9346 -13.9346 -13.8882 -13.8882 -13.8881 -13.8881 -13.8832 -13.8832 -13.8832 -13.8832 -7.1798 -7.1798 -7.1236 -7.1236 -5.4208 -5.4208 -5.3004 -5.3004 1.2257 1.2257 1.5597 1.5597 5.2684 5.2684 5.7824 5.7824 5.8258 5.8258 5.9337 5.9337 5.9580 5.9580 5.9950 5.9950 6.2583 6.2583 6.3016 6.3016 6.3073 6.3073 6.3497 6.3497 9.0331 9.0331 9.3961 9.3961 10.2379 10.2379 10.2788 10.2788 11.6815 11.6815 k = 0.0000 0.0000 0.1324 ( 5168 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8881 -13.8881 -13.8881 -13.8881 -13.8832 -13.8832 -13.8832 -13.8832 -7.1710 -7.1710 -7.1332 -7.1332 -5.4009 -5.4009 -5.3198 -5.3198 1.2766 1.2766 1.5011 1.5011 5.3609 5.3609 5.7210 5.7210 5.8332 5.8332 5.8907 5.8907 5.9635 5.9635 5.9883 5.9883 6.2658 6.2658 6.2950 6.2950 6.3149 6.3149 6.3433 6.3433 9.0988 9.0988 9.3424 9.3424 10.2444 10.2444 10.2720 10.2720 11.6875 11.6875 k = 0.0000 0.0000 0.1434 ( 5180 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9182 -14.9182 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8881 -13.8881 -13.8881 -13.8881 -13.8832 -13.8832 -13.8832 -13.8832 -7.1619 -7.1619 -7.1429 -7.1429 -5.3806 -5.3806 -5.3399 -5.3399 1.3300 1.3300 1.4428 1.4428 5.4549 5.4549 5.6392 5.6392 5.8418 5.8418 5.8671 5.8671 5.9693 5.9693 5.9818 5.9818 6.2733 6.2733 6.2880 6.2880 6.3223 6.3223 6.3366 6.3366 9.1632 9.1632 9.2854 9.2854 10.2512 10.2512 10.2650 10.2650 11.6936 11.6936 k = 0.0000 0.0000 0.1544 ( 5198 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9181 -14.9181 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8881 -13.8881 -13.8881 -13.8881 -13.8832 -13.8832 -13.8832 -13.8832 -7.1525 -7.1525 -7.1525 -7.1525 -5.3602 -5.3602 -5.3602 -5.3602 1.3856 1.3856 1.3856 1.3856 5.5486 5.5486 5.5486 5.5486 5.8524 5.8524 5.8524 5.8524 5.9754 5.9754 5.9754 5.9754 6.2808 6.2808 6.2808 6.2808 6.3296 6.3296 6.3296 6.3296 9.2255 9.2255 9.2255 9.2255 10.2581 10.2581 10.2581 10.2581 11.6998 11.6998 k = 0.0000 0.0000 0.1544 ( 5198 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9181 -14.9181 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8881 -13.8881 -13.8881 -13.8881 -13.8832 -13.8832 -13.8832 -13.8832 -7.1525 -7.1525 -7.1525 -7.1525 -5.3602 -5.3602 -5.3602 -5.3602 1.3856 1.3856 1.3856 1.3856 5.5486 5.5486 5.5486 5.5486 5.8524 5.8524 5.8524 5.8524 5.9754 5.9754 5.9754 5.9754 6.2808 6.2808 6.2808 6.2808 6.3296 6.3296 6.3296 6.3296 9.2255 9.2255 9.2255 9.2255 10.2581 10.2581 10.2581 10.2581 11.6998 11.6998 k = 0.0100 0.0058 0.1544 ( 5188 PWs) bands (ev): -14.9474 -14.9474 -14.9474 -14.9474 -14.9182 -14.9182 -14.9182 -14.9182 -13.9346 -13.9346 -13.9346 -13.9346 -13.8882 -13.8882 -13.8882 -13.8882 -13.8832 -13.8832 -13.8832 -13.8832 -7.1513 -7.1513 -7.1513 -7.1513 -5.3593 -5.3593 -5.3593 -5.3593 1.3856 1.3856 1.3856 1.3856 5.5427 5.5427 5.5431 5.5431 5.8490 5.8490 5.8493 5.8493 5.9705 5.9705 5.9705 5.9705 6.2802 6.2802 6.2803 6.2803 6.3281 6.3281 6.3282 6.3282 9.2295 9.2295 9.2295 9.2295 10.2649 10.2649 10.2650 10.2650 11.7008 11.7008 k = 0.0200 0.0115 0.1544 ( 5184 PWs) bands (ev): -14.9474 -14.9474 -14.9474 -14.9474 -14.9182 -14.9182 -14.9182 -14.9182 -13.9346 -13.9346 -13.9346 -13.9346 -13.8883 -13.8883 -13.8883 -13.8883 -13.8831 -13.8831 -13.8831 -13.8831 -7.1480 -7.1480 -7.1480 -7.1480 -5.3568 -5.3568 -5.3568 -5.3568 1.3854 1.3854 1.3854 1.3854 5.5253 5.5253 5.5260 5.5260 5.8392 5.8392 5.8398 5.8398 5.9562 5.9562 5.9562 5.9562 6.2760 6.2760 6.2763 6.2763 6.3261 6.3261 6.3262 6.3262 9.2413 9.2413 9.2413 9.2413 10.2852 10.2852 10.2854 10.2854 11.7037 11.7037 k = 0.0300 0.0173 0.1544 ( 5168 PWs) bands (ev): -14.9474 -14.9474 -14.9474 -14.9474 -14.9182 -14.9182 -14.9182 -14.9182 -13.9345 -13.9345 -13.9345 -13.9345 -13.8885 -13.8885 -13.8885 -13.8885 -13.8830 -13.8830 -13.8830 -13.8830 -7.1424 -7.1424 -7.1423 -7.1423 -5.3525 -5.3525 -5.3525 -5.3525 1.3852 1.3852 1.3852 1.3852 5.4958 5.4958 5.4968 5.4968 5.8235 5.8235 5.8244 5.8244 5.9341 5.9341 5.9341 5.9341 6.2635 6.2635 6.2639 6.2639 6.3281 6.3281 6.3282 6.3282 9.2601 9.2601 9.2601 9.2601 10.3184 10.3184 10.3187 10.3187 11.7084 11.7084 k = 0.0400 0.0231 0.1544 ( 5164 PWs) bands (ev): -14.9473 -14.9473 -14.9473 -14.9473 -14.9183 -14.9183 -14.9183 -14.9183 -13.9344 -13.9344 -13.9344 -13.9344 -13.8887 -13.8887 -13.8887 -13.8887 -13.8829 -13.8829 -13.8829 -13.8829 -7.1345 -7.1345 -7.1345 -7.1345 -5.3465 -5.3465 -5.3465 -5.3465 1.3848 1.3848 1.3848 1.3848 5.4534 5.4534 5.4547 5.4547 5.8025 5.8025 5.8036 5.8036 5.9060 5.9060 5.9061 5.9061 6.2418 6.2418 6.2421 6.2421 6.3350 6.3350 6.3351 6.3351 9.2849 9.2849 9.2849 9.2849 10.3633 10.3633 10.3637 10.3637 11.7150 11.7150 k = 0.0500 0.0289 0.1544 ( 5160 PWs) bands (ev): -14.9472 -14.9472 -14.9472 -14.9472 -14.9183 -14.9183 -14.9183 -14.9183 -13.9342 -13.9342 -13.9342 -13.9342 -13.8890 -13.8890 -13.8890 -13.8890 -13.8827 -13.8827 -13.8827 -13.8827 -7.1244 -7.1244 -7.1244 -7.1244 -5.3389 -5.3389 -5.3389 -5.3389 1.3841 1.3841 1.3842 1.3842 5.3979 5.3979 5.3994 5.3994 5.7762 5.7762 5.7777 5.7777 5.8735 5.8735 5.8736 5.8736 6.2136 6.2136 6.2139 6.2139 6.3444 6.3444 6.3445 6.3445 9.3142 9.3142 9.3143 9.3143 10.4184 10.4184 10.4190 10.4190 11.7234 11.7234 k = 0.0600 0.0346 0.1544 ( 5158 PWs) bands (ev): -14.9470 -14.9470 -14.9470 -14.9470 -14.9184 -14.9184 -14.9184 -14.9184 -13.9340 -13.9340 -13.9340 -13.9340 -13.8894 -13.8894 -13.8894 -13.8894 -13.8825 -13.8825 -13.8825 -13.8825 -7.1121 -7.1121 -7.1121 -7.1120 -5.3296 -5.3296 -5.3296 -5.3296 1.3832 1.3832 1.3832 1.3832 5.3297 5.3297 5.3314 5.3314 5.7448 5.7448 5.7465 5.7465 5.8375 5.8375 5.8377 5.8377 6.1822 6.1822 6.1823 6.1823 6.3547 6.3547 6.3548 6.3548 9.3465 9.3465 9.3465 9.3465 10.4820 10.4820 10.4828 10.4828 11.7341 11.7341 k = 0.0700 0.0404 0.1544 ( 5158 PWs) bands (ev): -14.9469 -14.9469 -14.9469 -14.9469 -14.9185 -14.9185 -14.9185 -14.9185 -13.9338 -13.9338 -13.9338 -13.9338 -13.8898 -13.8898 -13.8898 -13.8898 -13.8823 -13.8823 -13.8823 -13.8823 -7.0975 -7.0975 -7.0975 -7.0975 -5.3187 -5.3187 -5.3186 -5.3186 1.3817 1.3817 1.3818 1.3818 5.2498 5.2498 5.2516 5.2516 5.7081 5.7081 5.7100 5.7100 5.7979 5.7979 5.7981 5.7981 6.1501 6.1501 6.1502 6.1502 6.3647 6.3647 6.3648 6.3648 9.3798 9.3798 9.3799 9.3799 10.5521 10.5521 10.5532 10.5532 11.7478 11.7478 k = 0.0800 0.0462 0.1544 ( 5166 PWs) bands (ev): -14.9467 -14.9467 -14.9467 -14.9467 -14.9186 -14.9186 -14.9186 -14.9186 -13.9336 -13.9336 -13.9336 -13.9336 -13.8903 -13.8903 -13.8903 -13.8903 -13.8820 -13.8820 -13.8820 -13.8820 -7.0807 -7.0807 -7.0807 -7.0807 -5.3062 -5.3062 -5.3061 -5.3061 1.3797 1.3797 1.3797 1.3797 5.1594 5.1594 5.1614 5.1614 5.6663 5.6663 5.6686 5.6686 5.7538 5.7538 5.7540 5.7540 6.1200 6.1200 6.1201 6.1201 6.3739 6.3739 6.3740 6.3740 9.4123 9.4123 9.4126 9.4126 10.6266 10.6266 10.6281 10.6281 11.7656 11.7656 k = 0.0900 0.0520 0.1544 ( 5166 PWs) bands (ev): -14.9466 -14.9466 -14.9466 -14.9466 -14.9187 -14.9187 -14.9187 -14.9187 -13.9333 -13.9333 -13.9333 -13.9333 -13.8909 -13.8909 -13.8909 -13.8909 -13.8817 -13.8817 -13.8817 -13.8817 -7.0618 -7.0618 -7.0618 -7.0618 -5.2921 -5.2921 -5.2921 -5.2921 1.3769 1.3769 1.3770 1.3770 5.0604 5.0604 5.0624 5.0624 5.6199 5.6199 5.6225 5.6225 5.7044 5.7044 5.7045 5.7045 6.0936 6.0936 6.0938 6.0938 6.3819 6.3819 6.3820 6.3820 9.4423 9.4423 9.4426 9.4426 10.7034 10.7034 10.7053 10.7053 11.7891 11.7891 k = 0.1000 0.0577 0.1544 ( 5158 PWs) bands (ev): -14.9464 -14.9464 -14.9464 -14.9464 -14.9188 -14.9188 -14.9188 -14.9188 -13.9331 -13.9331 -13.9331 -13.9331 -13.8914 -13.8914 -13.8914 -13.8914 -13.8813 -13.8813 -13.8813 -13.8813 -7.0406 -7.0406 -7.0406 -7.0406 -5.2766 -5.2766 -5.2765 -5.2765 1.3732 1.3732 1.3732 1.3732 4.9541 4.9541 4.9562 4.9562 5.5690 5.5690 5.5720 5.5720 5.6495 5.6495 5.6498 5.6498 6.0721 6.0721 6.0724 6.0724 6.3885 6.3885 6.3886 6.3886 9.4678 9.4678 9.4683 9.4683 10.7803 10.7803 10.7828 10.7828 11.8199 11.8199 k = 0.1100 0.0635 0.1544 ( 5156 PWs) bands (ev): -14.9462 -14.9462 -14.9462 -14.9462 -14.9190 -14.9190 -14.9190 -14.9190 -13.9329 -13.9329 -13.9329 -13.9329 -13.8920 -13.8920 -13.8920 -13.8920 -13.8809 -13.8809 -13.8809 -13.8809 -7.0173 -7.0173 -7.0173 -7.0173 -5.2596 -5.2596 -5.2595 -5.2595 1.3683 1.3683 1.3683 1.3683 4.8423 4.8423 4.8443 4.8443 5.5133 5.5133 5.5168 5.5168 5.5903 5.5903 5.5910 5.5910 6.0554 6.0554 6.0558 6.0558 6.3935 6.3935 6.3936 6.3936 9.4875 9.4875 9.4881 9.4881 10.8556 10.8556 10.8587 10.8587 11.8594 11.8594 k = 0.1200 0.0693 0.1544 ( 5156 PWs) bands (ev): -14.9460 -14.9460 -14.9460 -14.9460 -14.9191 -14.9191 -14.9191 -14.9191 -13.9326 -13.9326 -13.9326 -13.9326 -13.8927 -13.8927 -13.8927 -13.8927 -13.8804 -13.8804 -13.8804 -13.8804 -6.9918 -6.9918 -6.9918 -6.9918 -5.2412 -5.2412 -5.2412 -5.2412 1.3620 1.3620 1.3620 1.3620 4.7261 4.7261 4.7281 4.7281 5.4521 5.4521 5.4561 5.4561 5.5290 5.5290 5.5302 5.5302 6.0431 6.0431 6.0435 6.0435 6.3969 6.3969 6.3970 6.3970 9.5000 9.5000 9.5008 9.5008 10.9278 10.9278 10.9315 10.9315 11.9083 11.9083 k = 0.1300 0.0751 0.1544 ( 5166 PWs) bands (ev): -14.9458 -14.9458 -14.9458 -14.9458 -14.9193 -14.9193 -14.9193 -14.9193 -13.9324 -13.9324 -13.9324 -13.9324 -13.8933 -13.8933 -13.8933 -13.8933 -13.8799 -13.8799 -13.8799 -13.8799 -6.9642 -6.9642 -6.9642 -6.9642 -5.2215 -5.2215 -5.2215 -5.2215 1.3540 1.3540 1.3540 1.3540 4.6069 4.6069 4.6089 4.6089 5.3849 5.3849 5.3891 5.3891 5.4680 5.4680 5.4695 5.4695 6.0343 6.0343 6.0347 6.0347 6.3987 6.3987 6.3988 6.3988 9.5045 9.5045 9.5053 9.5053 10.9960 10.9960 11.0004 11.0004 11.9667 11.9667 k = 0.1400 0.0808 0.1544 ( 5154 PWs) bands (ev): -14.9456 -14.9456 -14.9456 -14.9456 -14.9194 -14.9194 -14.9194 -14.9194 -13.9323 -13.9323 -13.9323 -13.9323 -13.8940 -13.8940 -13.8940 -13.8940 -13.8794 -13.8794 -13.8794 -13.8794 -6.9345 -6.9345 -6.9345 -6.9345 -5.2005 -5.2005 -5.2005 -5.2005 1.3439 1.3439 1.3440 1.3440 4.4859 4.4859 4.4879 4.4879 5.3121 5.3121 5.3163 5.3163 5.4085 5.4085 5.4100 5.4100 6.0283 6.0283 6.0287 6.0287 6.3989 6.3989 6.3991 6.3991 9.5005 9.5005 9.5014 9.5014 11.0599 11.0599 11.0649 11.0649 12.0335 12.0335 k = 0.1500 0.0866 0.1544 ( 5162 PWs) bands (ev): -14.9453 -14.9453 -14.9453 -14.9453 -14.9196 -14.9196 -14.9196 -14.9196 -13.9321 -13.9321 -13.9321 -13.9321 -13.8946 -13.8946 -13.8946 -13.8946 -13.8788 -13.8788 -13.8788 -13.8788 -6.9027 -6.9027 -6.9027 -6.9027 -5.1784 -5.1784 -5.1784 -5.1784 1.3316 1.3316 1.3316 1.3316 4.3640 4.3640 4.3660 4.3660 5.2349 5.2349 5.2390 5.2390 5.3505 5.3505 5.3518 5.3518 6.0245 6.0245 6.0249 6.0249 6.3977 6.3977 6.3978 6.3978 9.4878 9.4878 9.4887 9.4887 11.1193 11.1193 11.1249 11.1249 12.1071 12.1071 k = 0.1600 0.0924 0.1544 ( 5162 PWs) bands (ev): -14.9452 -14.9452 -14.9452 -14.9452 -14.9197 -14.9197 -14.9197 -14.9197 -13.9321 -13.9321 -13.9321 -13.9321 -13.8953 -13.8953 -13.8953 -13.8953 -13.8781 -13.8781 -13.8781 -13.8781 -6.8688 -6.8688 -6.8688 -6.8688 -5.1552 -5.1552 -5.1552 -5.1552 1.3165 1.3165 1.3166 1.3166 4.2422 4.2422 4.2441 4.2441 5.1551 5.1551 5.1590 5.1590 5.2935 5.2935 5.2947 5.2947 6.0222 6.0222 6.0226 6.0226 6.3950 6.3950 6.3951 6.3951 9.4667 9.4667 9.4677 9.4677 11.1744 11.1744 11.1805 11.1805 12.1850 12.1850 k = 0.1700 0.0981 0.1544 ( 5166 PWs) bands (ev): -14.9450 -14.9450 -14.9450 -14.9450 -14.9199 -14.9199 -14.9198 -14.9198 -13.9320 -13.9320 -13.9320 -13.9320 -13.8959 -13.8959 -13.8959 -13.8959 -13.8774 -13.8774 -13.8774 -13.8774 -6.8330 -6.8330 -6.8329 -6.8329 -5.1311 -5.1311 -5.1310 -5.1310 1.2984 1.2984 1.2984 1.2984 4.1213 4.1213 4.1232 4.1232 5.0740 5.0740 5.0777 5.0777 5.2372 5.2372 5.2382 5.2382 6.0211 6.0211 6.0215 6.0215 6.3909 6.3909 6.3911 6.3911 9.4379 9.4379 9.4389 9.4389 11.2253 11.2253 11.2318 11.2318 12.2647 12.2647 k = 0.1800 0.1039 0.1544 ( 5160 PWs) bands (ev): -14.9448 -14.9448 -14.9448 -14.9448 -14.9200 -14.9200 -14.9200 -14.9200 -13.9321 -13.9321 -13.9321 -13.9321 -13.8965 -13.8965 -13.8965 -13.8965 -13.8766 -13.8766 -13.8766 -13.8766 -6.7951 -6.7951 -6.7951 -6.7951 -5.1060 -5.1060 -5.1060 -5.1060 1.2768 1.2768 1.2769 1.2769 4.0021 4.0021 4.0039 4.0039 4.9926 4.9926 4.9962 4.9962 5.1814 5.1814 5.1824 5.1824 6.0207 6.0207 6.0211 6.0211 6.3856 6.3856 6.3858 6.3858 9.4021 9.4021 9.4031 9.4031 11.2718 11.2718 11.2786 11.2786 12.3436 12.3436 k = 0.1900 0.1097 0.1544 ( 5166 PWs) bands (ev): -14.9446 -14.9446 -14.9446 -14.9446 -14.9201 -14.9201 -14.9201 -14.9201 -13.9322 -13.9322 -13.9322 -13.9322 -13.8970 -13.8970 -13.8970 -13.8970 -13.8758 -13.8758 -13.8758 -13.8758 -6.7553 -6.7553 -6.7553 -6.7553 -5.0801 -5.0801 -5.0801 -5.0801 1.2514 1.2514 1.2515 1.2515 3.8851 3.8851 3.8869 3.8869 4.9120 4.9120 4.9155 4.9155 5.1263 5.1263 5.1271 5.1271 6.0208 6.0208 6.0211 6.0211 6.3791 6.3791 6.3793 6.3793 9.3602 9.3602 9.3612 9.3612 11.3137 11.3137 11.3207 11.3207 12.4194 12.4194 k = 0.2000 0.1155 0.1544 ( 5164 PWs) bands (ev): -14.9445 -14.9445 -14.9445 -14.9445 -14.9203 -14.9203 -14.9202 -14.9202 -13.9324 -13.9324 -13.9324 -13.9324 -13.8975 -13.8975 -13.8975 -13.8975 -13.8749 -13.8749 -13.8749 -13.8749 -6.7136 -6.7136 -6.7136 -6.7136 -5.0536 -5.0536 -5.0536 -5.0536 1.2218 1.2218 1.2219 1.2219 3.7709 3.7709 3.7727 3.7727 4.8330 4.8330 4.8363 4.8363 5.0718 5.0718 5.0725 5.0725 6.0210 6.0210 6.0214 6.0214 6.3716 6.3716 6.3719 6.3719 9.3132 9.3132 9.3141 9.3141 11.3508 11.3508 11.3578 11.3578 12.4903 12.4903 k = 0.2100 0.1212 0.1544 ( 5160 PWs) bands (ev): -14.9444 -14.9444 -14.9444 -14.9444 -14.9204 -14.9204 -14.9204 -14.9204 -13.9327 -13.9327 -13.9327 -13.9327 -13.8979 -13.8979 -13.8979 -13.8979 -13.8740 -13.8740 -13.8740 -13.8740 -6.6701 -6.6701 -6.6700 -6.6700 -5.0266 -5.0266 -5.0266 -5.0266 1.1878 1.1878 1.1879 1.1879 3.6600 3.6600 3.6617 3.6617 4.7563 4.7563 4.7595 4.7595 5.0179 5.0179 5.0187 5.0187 6.0213 6.0213 6.0216 6.0216 6.3632 6.3632 6.3635 6.3635 9.2619 9.2619 9.2628 9.2628 11.3826 11.3826 11.3896 11.3896 12.5553 12.5553 k = 0.2200 0.1270 0.1544 ( 5156 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9205 -14.9205 -14.9205 -14.9205 -13.9330 -13.9330 -13.9330 -13.9330 -13.8983 -13.8983 -13.8983 -13.8983 -13.8731 -13.8731 -13.8731 -13.8731 -6.6247 -6.6247 -6.6247 -6.6247 -4.9992 -4.9992 -4.9991 -4.9991 1.1491 1.1491 1.1492 1.1492 3.5527 3.5527 3.5544 3.5544 4.6826 4.6826 4.6857 4.6857 4.9649 4.9649 4.9656 4.9656 6.0213 6.0213 6.0216 6.0216 6.3540 6.3540 6.3543 6.3543 9.2073 9.2073 9.2081 9.2081 11.4089 11.4089 11.4157 11.4157 12.6138 12.6138 k = 0.2300 0.1328 0.1544 ( 5152 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9206 -14.9206 -14.9205 -14.9205 -13.9335 -13.9335 -13.9335 -13.9335 -13.8986 -13.8986 -13.8986 -13.8986 -13.8721 -13.8721 -13.8721 -13.8721 -6.5777 -6.5777 -6.5776 -6.5776 -4.9715 -4.9715 -4.9714 -4.9714 1.1055 1.1055 1.1056 1.1056 3.4493 3.4493 3.4510 3.4510 4.6125 4.6125 4.6155 4.6155 4.9128 4.9128 4.9135 4.9135 6.0209 6.0209 6.0212 6.0212 6.3441 6.3441 6.3444 6.3444 9.1502 9.1502 9.1509 9.1509 11.4296 11.4296 11.4361 11.4361 12.6657 12.6657 k = 0.2400 0.1386 0.1544 ( 5144 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9206 -14.9206 -14.9206 -14.9206 -13.9340 -13.9340 -13.9340 -13.9340 -13.8989 -13.8989 -13.8989 -13.8989 -13.8711 -13.8711 -13.8711 -13.8711 -6.5290 -6.5290 -6.5289 -6.5289 -4.9437 -4.9437 -4.9437 -4.9437 1.0570 1.0570 1.0571 1.0571 3.3498 3.3498 3.3514 3.3514 4.5465 4.5465 4.5495 4.5495 4.8618 4.8618 4.8624 4.8624 6.0199 6.0199 6.0202 6.0202 6.3336 6.3336 6.3339 6.3339 9.0913 9.0913 9.0919 9.0919 11.4445 11.4445 11.4506 11.4506 12.7111 12.7111 k = 0.2500 0.1443 0.1544 ( 5152 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9207 -14.9207 -14.9207 -14.9207 -13.9346 -13.9346 -13.9346 -13.9346 -13.8991 -13.8991 -13.8991 -13.8991 -13.8700 -13.8700 -13.8700 -13.8700 -6.4786 -6.4786 -6.4786 -6.4786 -4.9160 -4.9160 -4.9160 -4.9160 1.0036 1.0036 1.0037 1.0037 3.2543 3.2543 3.2559 3.2559 4.4852 4.4852 4.4881 4.4881 4.8119 4.8119 4.8124 4.8124 6.0183 6.0183 6.0185 6.0185 6.3226 6.3226 6.3229 6.3229 9.0312 9.0312 9.0318 9.0318 11.4539 11.4539 11.4594 11.4594 12.7500 12.7501 k = 0.2600 0.1501 0.1544 ( 5168 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9207 -14.9207 -14.9207 -14.9207 -13.9352 -13.9352 -13.9352 -13.9352 -13.8992 -13.8992 -13.8992 -13.8992 -13.8689 -13.8689 -13.8689 -13.8689 -6.4268 -6.4268 -6.4268 -6.4268 -4.8885 -4.8885 -4.8885 -4.8885 0.9457 0.9457 0.9458 0.9458 3.1626 3.1626 3.1642 3.1642 4.4289 4.4289 4.4317 4.4317 4.7632 4.7632 4.7638 4.7638 6.0158 6.0158 6.0160 6.0160 6.3113 6.3113 6.3116 6.3116 8.9706 8.9706 8.9711 8.9711 11.4579 11.4579 11.4628 11.4628 12.7799 12.7800 k = 0.2700 0.1559 0.1544 ( 5162 PWs) bands (ev): -14.9444 -14.9444 -14.9444 -14.9444 -14.9207 -14.9207 -14.9207 -14.9207 -13.9360 -13.9360 -13.9359 -13.9359 -13.8993 -13.8993 -13.8993 -13.8993 -13.8678 -13.8678 -13.8678 -13.8678 -6.3736 -6.3736 -6.3736 -6.3736 -4.8615 -4.8615 -4.8614 -4.8614 0.8834 0.8834 0.8835 0.8835 3.0747 3.0747 3.0761 3.0761 4.3781 4.3781 4.3808 4.3808 4.7159 4.7159 4.7165 4.7165 6.0123 6.0123 6.0125 6.0125 6.2996 6.2996 6.3000 6.3000 8.9100 8.9100 8.9104 8.9104 11.4570 11.4570 11.4612 11.4612 12.8028 12.8028 k = 0.2800 0.1617 0.1544 ( 5158 PWs) bands (ev): -14.9445 -14.9445 -14.9445 -14.9445 -14.9207 -14.9207 -14.9207 -14.9207 -13.9367 -13.9367 -13.9367 -13.9367 -13.8994 -13.8994 -13.8994 -13.8994 -13.8667 -13.8667 -13.8667 -13.8667 -6.3191 -6.3191 -6.3190 -6.3190 -4.8351 -4.8351 -4.8350 -4.8350 0.8173 0.8173 0.8174 0.8174 2.9901 2.9901 2.9915 2.9915 4.3329 4.3329 4.3356 4.3356 4.6702 4.6702 4.6707 4.6707 6.0077 6.0077 6.0079 6.0079 6.2878 6.2878 6.2882 6.2882 8.8499 8.8499 8.8502 8.8502 11.4517 11.4517 11.4551 11.4551 12.8180 12.8180 k = 0.2900 0.1674 0.1544 ( 5150 PWs) bands (ev): -14.9446 -14.9446 -14.9446 -14.9446 -14.9207 -14.9207 -14.9207 -14.9207 -13.9375 -13.9375 -13.9375 -13.9375 -13.8994 -13.8994 -13.8994 -13.8994 -13.8656 -13.8656 -13.8656 -13.8656 -6.2634 -6.2634 -6.2633 -6.2633 -4.8094 -4.8094 -4.8094 -4.8094 0.7480 0.7480 0.7481 0.7481 2.9088 2.9088 2.9102 2.9102 4.2935 4.2935 4.2961 4.2961 4.6260 4.6260 4.6265 4.6265 6.0020 6.0020 6.0022 6.0022 6.2759 6.2759 6.2763 6.2763 8.7907 8.7907 8.7909 8.7909 11.4424 11.4424 11.4451 11.4451 12.8251 12.8251 k = 0.3000 0.1732 0.1544 ( 5154 PWs) bands (ev): -14.9448 -14.9448 -14.9448 -14.9448 -14.9207 -14.9207 -14.9207 -14.9207 -13.9384 -13.9384 -13.9384 -13.9384 -13.8993 -13.8993 -13.8993 -13.8993 -13.8644 -13.8644 -13.8644 -13.8644 -6.2066 -6.2066 -6.2065 -6.2065 -4.7849 -4.7849 -4.7848 -4.7848 0.6759 0.6759 0.6760 0.6760 2.8305 2.8305 2.8318 2.8318 4.2599 4.2599 4.2624 4.2624 4.5835 4.5835 4.5841 4.5841 5.9950 5.9950 5.9952 5.9952 6.2639 6.2639 6.2643 6.2643 8.7328 8.7328 8.7329 8.7329 11.4297 11.4297 11.4316 11.4316 12.8240 12.8240 k = 0.3100 0.1790 0.1544 ( 5154 PWs) bands (ev): -14.9449 -14.9449 -14.9449 -14.9449 -14.9206 -14.9206 -14.9206 -14.9206 -13.9392 -13.9392 -13.9392 -13.9392 -13.8993 -13.8993 -13.8993 -13.8993 -13.8633 -13.8633 -13.8633 -13.8633 -6.1489 -6.1489 -6.1488 -6.1488 -4.7615 -4.7615 -4.7614 -4.7614 0.6019 0.6019 0.6020 0.6020 2.7549 2.7549 2.7561 2.7561 4.2319 4.2319 4.2344 4.2344 4.5429 4.5429 4.5434 4.5434 5.9868 5.9868 5.9870 5.9870 6.2521 6.2521 6.2525 6.2525 8.6765 8.6765 8.6765 8.6765 11.4142 11.4142 11.4154 11.4154 12.8150 12.8150 k = 0.3200 0.1848 0.1544 ( 5148 PWs) bands (ev): -14.9451 -14.9451 -14.9451 -14.9451 -14.9206 -14.9206 -14.9205 -14.9205 -13.9401 -13.9401 -13.9401 -13.9401 -13.8992 -13.8992 -13.8992 -13.8992 -13.8622 -13.8622 -13.8622 -13.8622 -6.0904 -6.0904 -6.0903 -6.0903 -4.7396 -4.7396 -4.7395 -4.7395 0.5266 0.5266 0.5267 0.5267 2.6820 2.6820 2.6831 2.6831 4.2095 4.2095 4.2118 4.2118 4.5042 4.5042 4.5048 4.5048 5.9772 5.9772 5.9774 5.9774 6.2404 6.2404 6.2408 6.2408 8.6220 8.6220 8.6220 8.6220 11.3964 11.3964 11.3969 11.3969 12.7991 12.7991 k = 0.3300 0.1905 0.1544 ( 5148 PWs) bands (ev): -14.9453 -14.9453 -14.9453 -14.9453 -14.9205 -14.9205 -14.9205 -14.9205 -13.9410 -13.9410 -13.9410 -13.9410 -13.8991 -13.8991 -13.8991 -13.8991 -13.8611 -13.8611 -13.8611 -13.8611 -6.0312 -6.0312 -6.0312 -6.0312 -4.7193 -4.7193 -4.7192 -4.7192 0.4508 0.4508 0.4509 0.4509 2.6116 2.6116 2.6126 2.6126 4.1921 4.1921 4.1943 4.1943 4.4677 4.4677 4.4683 4.4683 5.9662 5.9662 5.9664 5.9664 6.2289 6.2289 6.2293 6.2293 8.5697 8.5697 8.5697 8.5697 11.3768 11.3768 11.3769 11.3769 12.7781 12.7781 k = 0.3400 0.1963 0.1544 ( 5148 PWs) bands (ev): -14.9456 -14.9456 -14.9456 -14.9456 -14.9204 -14.9204 -14.9204 -14.9204 -13.9419 -13.9419 -13.9419 -13.9419 -13.8989 -13.8989 -13.8989 -13.8989 -13.8600 -13.8600 -13.8600 -13.8600 -5.9717 -5.9717 -5.9716 -5.9716 -4.7009 -4.7009 -4.7008 -4.7008 0.3752 0.3752 0.3753 0.3753 2.5438 2.5438 2.5447 2.5447 4.1793 4.1793 4.1815 4.1815 4.4335 4.4335 4.4341 4.4341 5.9540 5.9540 5.9542 5.9542 6.2177 6.2177 6.2181 6.2181 8.5197 8.5197 8.5198 8.5198 11.3555 11.3555 11.3561 11.3561 12.7535 12.7535 k = 0.3500 0.2021 0.1544 ( 5140 PWs) bands (ev): -14.9458 -14.9458 -14.9458 -14.9458 -14.9203 -14.9203 -14.9203 -14.9203 -13.9427 -13.9427 -13.9427 -13.9427 -13.8988 -13.8988 -13.8988 -13.8988 -13.8589 -13.8589 -13.8589 -13.8589 -5.9120 -5.9120 -5.9119 -5.9119 -4.6845 -4.6845 -4.6845 -4.6845 0.3006 0.3006 0.3006 0.3006 2.4785 2.4785 2.4794 2.4794 4.1706 4.1706 4.1727 4.1727 4.4018 4.4018 4.4024 4.4024 5.9406 5.9406 5.9407 5.9407 6.2069 6.2069 6.2073 6.2073 8.4723 8.4723 8.4725 8.4725 11.3334 11.3334 11.3346 11.3346 12.7268 12.7268 k = 0.3600 0.2078 0.1544 ( 5136 PWs) bands (ev): -14.9461 -14.9461 -14.9461 -14.9461 -14.9202 -14.9202 -14.9202 -14.9202 -13.9436 -13.9436 -13.9435 -13.9435 -13.8987 -13.8987 -13.8987 -13.8987 -13.8579 -13.8579 -13.8579 -13.8579 -5.8522 -5.8522 -5.8522 -5.8522 -4.6704 -4.6704 -4.6704 -4.6704 0.2275 0.2275 0.2276 0.2276 2.4160 2.4160 2.4167 2.4167 4.1652 4.1652 4.1672 4.1672 4.3730 4.3730 4.3736 4.3736 5.9260 5.9260 5.9261 5.9261 6.1964 6.1964 6.1968 6.1968 8.4277 8.4277 8.4278 8.4278 11.3111 11.3111 11.3127 11.3127 12.6993 12.6993 k = 0.3700 0.2136 0.1544 ( 5130 PWs) bands (ev): -14.9463 -14.9463 -14.9463 -14.9463 -14.9201 -14.9201 -14.9201 -14.9201 -13.9444 -13.9444 -13.9443 -13.9443 -13.8985 -13.8985 -13.8985 -13.8985 -13.8569 -13.8569 -13.8569 -13.8569 -5.7928 -5.7928 -5.7927 -5.7927 -4.6588 -4.6588 -4.6587 -4.6587 0.1567 0.1567 0.1567 0.1567 2.3563 2.3563 2.3570 2.3570 4.1622 4.1622 4.1641 4.1641 4.3475 4.3475 4.3481 4.3481 5.9103 5.9103 5.9105 5.9105 6.1865 6.1865 6.1869 6.1869 8.3859 8.3859 8.3861 8.3861 11.2888 11.2888 11.2907 11.2907 12.6720 12.6720 k = 0.3800 0.2194 0.1544 ( 5132 PWs) bands (ev): -14.9466 -14.9466 -14.9466 -14.9466 -14.9200 -14.9200 -14.9200 -14.9200 -13.9451 -13.9451 -13.9451 -13.9451 -13.8984 -13.8984 -13.8984 -13.8984 -13.8560 -13.8560 -13.8560 -13.8560 -5.7340 -5.7340 -5.7339 -5.7339 -4.6496 -4.6496 -4.6496 -4.6496 0.0887 0.0887 0.0888 0.0888 2.2997 2.2997 2.3003 2.3003 4.1605 4.1605 4.1623 4.1623 4.3260 4.3260 4.3265 4.3265 5.8939 5.8939 5.8941 5.8941 6.1771 6.1771 6.1775 6.1775 8.3470 8.3470 8.3473 8.3473 11.2669 11.2669 11.2691 11.2691 12.6456 12.6456 k = 0.3900 0.2252 0.1544 ( 5136 PWs) bands (ev): -14.9468 -14.9468 -14.9468 -14.9468 -14.9199 -14.9199 -14.9199 -14.9199 -13.9458 -13.9458 -13.9458 -13.9458 -13.8982 -13.8982 -13.8982 -13.8982 -13.8551 -13.8551 -13.8551 -13.8551 -5.6760 -5.6760 -5.6760 -5.6760 -4.6431 -4.6431 -4.6431 -4.6431 0.0242 0.0242 0.0242 0.0242 2.2464 2.2464 2.2469 2.2469 4.1589 4.1589 4.1606 4.1606 4.3091 4.3091 4.3096 4.3096 5.8769 5.8769 5.8771 5.8771 6.1683 6.1683 6.1686 6.1686 8.3113 8.3113 8.3115 8.3115 11.2458 11.2458 11.2481 11.2481 12.6207 12.6207 k = 0.4000 0.2309 0.1544 ( 5136 PWs) bands (ev): -14.9470 -14.9470 -14.9470 -14.9470 -14.9198 -14.9198 -14.9198 -14.9198 -13.9465 -13.9465 -13.9465 -13.9465 -13.8981 -13.8981 -13.8981 -13.8981 -13.8543 -13.8543 -13.8543 -13.8543 -5.6194 -5.6194 -5.6193 -5.6193 -4.6393 -4.6393 -4.6392 -4.6392 -0.0364 -0.0364 -0.0364 -0.0364 2.1966 2.1966 2.1971 2.1971 4.1561 4.1561 4.1576 4.1576 4.2976 4.2976 4.2980 4.2980 5.8596 5.8596 5.8598 5.8598 6.1601 6.1601 6.1604 6.1604 8.2786 8.2786 8.2788 8.2788 11.2257 11.2257 11.2281 11.2281 12.5977 12.5977 k = 0.4100 0.2367 0.1544 ( 5132 PWs) bands (ev): -14.9473 -14.9473 -14.9473 -14.9473 -14.9198 -14.9198 -14.9198 -14.9198 -13.9472 -13.9472 -13.9472 -13.9472 -13.8979 -13.8979 -13.8979 -13.8979 -13.8535 -13.8535 -13.8535 -13.8535 -5.5646 -5.5646 -5.5645 -5.5645 -4.6381 -4.6381 -4.6380 -4.6380 -0.0927 -0.0927 -0.0926 -0.0926 2.1506 2.1506 2.1511 2.1511 4.1513 4.1513 4.1525 4.1525 4.2918 4.2918 4.2920 4.2920 5.8422 5.8422 5.8424 5.8424 6.1525 6.1525 6.1528 6.1528 8.2490 8.2490 8.2493 8.2493 11.2068 11.2068 11.2092 11.2092 12.5767 12.5767 k = 0.4200 0.2425 0.1544 ( 5134 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9197 -14.9197 -14.9197 -14.9197 -13.9477 -13.9477 -13.9477 -13.9477 -13.8978 -13.8978 -13.8978 -13.8978 -13.8528 -13.8528 -13.8528 -13.8528 -5.5120 -5.5120 -5.5119 -5.5119 -4.6393 -4.6393 -4.6393 -4.6393 -0.1441 -0.1441 -0.1440 -0.1440 2.1087 2.1087 2.1091 2.1091 4.1444 4.1444 4.1454 4.1454 4.2911 4.2911 4.2912 4.2912 5.8252 5.8252 5.8254 5.8254 6.1457 6.1457 6.1459 6.1459 8.2226 8.2226 8.2229 8.2229 11.1894 11.1894 11.1917 11.1917 12.5580 12.5580 k = 0.4300 0.2483 0.1544 ( 5148 PWs) bands (ev): -14.9477 -14.9477 -14.9477 -14.9477 -14.9196 -14.9196 -14.9196 -14.9196 -13.9482 -13.9482 -13.9482 -13.9482 -13.8977 -13.8977 -13.8977 -13.8977 -13.8522 -13.8522 -13.8522 -13.8522 -5.4622 -5.4622 -5.4622 -5.4622 -4.6429 -4.6429 -4.6428 -4.6428 -0.1902 -0.1902 -0.1902 -0.1902 2.0710 2.0710 2.0714 2.0714 4.1362 4.1362 4.1370 4.1370 4.2942 4.2942 4.2942 4.2942 5.8089 5.8089 5.8091 5.8091 6.1396 6.1396 6.1398 6.1398 8.1994 8.1994 8.1996 8.1996 11.1736 11.1736 11.1758 11.1758 12.5417 12.5417 k = 0.4400 0.2540 0.1544 ( 5144 PWs) bands (ev): -14.9478 -14.9478 -14.9478 -14.9478 -14.9195 -14.9195 -14.9195 -14.9195 -13.9487 -13.9487 -13.9487 -13.9487 -13.8976 -13.8976 -13.8976 -13.8976 -13.8517 -13.8517 -13.8517 -13.8517 -5.4161 -5.4161 -5.4160 -5.4160 -4.6483 -4.6483 -4.6482 -4.6482 -0.2309 -0.2309 -0.2309 -0.2309 2.0379 2.0379 2.0382 2.0382 4.1276 4.1276 4.1282 4.1282 4.2998 4.2998 4.2999 4.2999 5.7936 5.7936 5.7938 5.7938 6.1343 6.1343 6.1344 6.1344 8.1793 8.1793 8.1795 8.1795 11.1596 11.1596 11.1616 11.1616 12.5279 12.5279 k = 0.4500 0.2598 0.1544 ( 5156 PWs) bands (ev): -14.9480 -14.9480 -14.9480 -14.9480 -14.9195 -14.9195 -14.9195 -14.9195 -13.9491 -13.9491 -13.9491 -13.9491 -13.8975 -13.8975 -13.8975 -13.8975 -13.8512 -13.8512 -13.8512 -13.8512 -5.3744 -5.3744 -5.3743 -5.3743 -4.6550 -4.6550 -4.6549 -4.6549 -0.2658 -0.2658 -0.2658 -0.2658 2.0094 2.0094 2.0097 2.0097 4.1193 4.1193 4.1197 4.1197 4.3065 4.3065 4.3066 4.3066 5.7799 5.7799 5.7801 5.7801 6.1297 6.1297 6.1299 6.1299 8.1624 8.1624 8.1626 8.1626 11.1476 11.1476 11.1493 11.1493 12.5164 12.5164 k = 0.4600 0.2656 0.1544 ( 5162 PWs) bands (ev): -14.9481 -14.9481 -14.9481 -14.9481 -14.9194 -14.9194 -14.9194 -14.9194 -13.9494 -13.9494 -13.9494 -13.9494 -13.8974 -13.8974 -13.8974 -13.8974 -13.8508 -13.8508 -13.8508 -13.8508 -5.3380 -5.3380 -5.3380 -5.3380 -4.6624 -4.6624 -4.6623 -4.6623 -0.2946 -0.2946 -0.2946 -0.2946 1.9859 1.9859 1.9861 1.9861 4.1119 4.1119 4.1122 4.1122 4.3132 4.3132 4.3134 4.3134 5.7680 5.7680 5.7682 5.7682 6.1259 6.1259 6.1261 6.1261 8.1486 8.1486 8.1487 8.1487 11.1376 11.1376 11.1391 11.1391 12.5073 12.5073 k = 0.4700 0.2714 0.1544 ( 5160 PWs) bands (ev): -14.9482 -14.9482 -14.9482 -14.9482 -14.9194 -14.9194 -14.9194 -14.9194 -13.9496 -13.9496 -13.9496 -13.9496 -13.8973 -13.8973 -13.8973 -13.8973 -13.8505 -13.8505 -13.8505 -13.8505 -5.3080 -5.3080 -5.3080 -5.3080 -4.6696 -4.6696 -4.6695 -4.6695 -0.3173 -0.3173 -0.3172 -0.3172 1.9675 1.9675 1.9676 1.9676 4.1059 4.1059 4.1061 4.1061 4.3193 4.3193 4.3194 4.3194 5.7584 5.7584 5.7585 5.7585 6.1230 6.1230 6.1231 6.1231 8.1379 8.1379 8.1380 8.1380 11.1298 11.1298 11.1309 11.1309 12.5007 12.5007 k = 0.4800 0.2771 0.1544 ( 5164 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9194 -14.9194 -13.9498 -13.9498 -13.9498 -13.9498 -13.8973 -13.8973 -13.8973 -13.8973 -13.8503 -13.8503 -13.8503 -13.8503 -5.2856 -5.2856 -5.2855 -5.2855 -4.6756 -4.6756 -4.6756 -4.6756 -0.3335 -0.3335 -0.3335 -0.3335 1.9542 1.9542 1.9543 1.9543 4.1015 4.1015 4.1016 4.1016 4.3241 4.3241 4.3242 4.3242 5.7512 5.7512 5.7513 5.7513 6.1209 6.1209 6.1210 6.1210 8.1303 8.1303 8.1303 8.1303 11.1243 11.1243 11.1250 11.1250 12.4963 12.4964 k = 0.4900 0.2829 0.1544 ( 5166 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9499 -13.9499 -13.9499 -13.9499 -13.8973 -13.8973 -13.8973 -13.8973 -13.8502 -13.8502 -13.8502 -13.8502 -5.2716 -5.2716 -5.2716 -5.2716 -4.6797 -4.6797 -4.6797 -4.6797 -0.3433 -0.3433 -0.3433 -0.3433 1.9462 1.9462 1.9462 1.9462 4.0987 4.0987 4.0988 4.0988 4.3271 4.3271 4.3272 4.3272 5.7469 5.7469 5.7469 5.7469 6.1197 6.1197 6.1197 6.1197 8.1257 8.1257 8.1257 8.1257 11.1210 11.1210 11.1214 11.1214 12.4944 12.4950 k = 0.5000 0.2887 0.1544 ( 5168 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9500 -13.9500 -13.8973 -13.8973 -13.8973 -13.8973 -13.8501 -13.8501 -13.8501 -13.8501 -5.2669 -5.2669 -5.2669 -5.2669 -4.6811 -4.6811 -4.6811 -4.6811 -0.3466 -0.3466 -0.3466 -0.3466 1.9435 1.9435 1.9435 1.9435 4.0979 4.0979 4.0979 4.0979 4.3282 4.3282 4.3282 4.3282 5.7454 5.7454 5.7454 5.7454 6.1193 6.1193 6.1193 6.1193 8.1242 8.1242 8.1242 8.1242 11.1200 11.1200 11.1200 11.1200 12.4945 12.4945 k = 0.5000 0.2887 0.1544 ( 5168 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9500 -13.9500 -13.8973 -13.8973 -13.8973 -13.8973 -13.8501 -13.8501 -13.8501 -13.8501 -5.2669 -5.2669 -5.2669 -5.2669 -4.6811 -4.6811 -4.6811 -4.6811 -0.3466 -0.3466 -0.3466 -0.3466 1.9435 1.9435 1.9435 1.9435 4.0979 4.0979 4.0979 4.0979 4.3282 4.3282 4.3282 4.3282 5.7454 5.7454 5.7454 5.7454 6.1193 6.1193 6.1193 6.1193 8.1242 8.1242 8.1242 8.1242 11.1200 11.1200 11.1200 11.1200 12.4945 12.4945 k = 0.4943 0.2986 0.1544 ( 5168 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9499 -13.9499 -13.9499 -13.9499 -13.8973 -13.8973 -13.8973 -13.8973 -13.8502 -13.8502 -13.8501 -13.8501 -5.2661 -5.2661 -5.2660 -5.2660 -4.6809 -4.6809 -4.6807 -4.6807 -0.3468 -0.3468 -0.3468 -0.3468 1.9446 1.9446 1.9449 1.9449 4.0825 4.0825 4.0987 4.0987 4.3194 4.3194 4.3376 4.3376 5.7434 5.7434 5.7459 5.7459 6.1150 6.1150 6.1184 6.1184 8.1295 8.1295 8.1300 8.1300 11.1251 11.1251 11.1284 11.1284 12.4888 12.4888 k = 0.4885 0.3086 0.1544 ( 5164 PWs) bands (ev): -14.9482 -14.9482 -14.9482 -14.9482 -14.9194 -14.9194 -14.9194 -14.9194 -13.9498 -13.9498 -13.9498 -13.9498 -13.8974 -13.8974 -13.8974 -13.8974 -13.8503 -13.8503 -13.8502 -13.8502 -5.2636 -5.2636 -5.2634 -5.2634 -4.6801 -4.6801 -4.6797 -4.6797 -0.3474 -0.3474 -0.3474 -0.3474 1.9481 1.9481 1.9486 1.9486 4.0548 4.0548 4.0838 4.0838 4.3128 4.3128 4.3457 4.3457 5.7395 5.7395 5.7447 5.7447 6.1061 6.1061 6.1128 6.1128 8.1458 8.1458 8.1468 8.1468 11.1436 11.1436 11.1503 11.1503 12.4843 12.4843 k = 0.4828 0.3185 0.1544 ( 5156 PWs) bands (ev): -14.9481 -14.9481 -14.9481 -14.9481 -14.9195 -14.9195 -14.9195 -14.9195 -13.9496 -13.9496 -13.9496 -13.9496 -13.8975 -13.8975 -13.8975 -13.8975 -13.8504 -13.8504 -13.8504 -13.8504 -5.2595 -5.2595 -5.2591 -5.2591 -4.6787 -4.6787 -4.6782 -4.6782 -0.3485 -0.3485 -0.3485 -0.3485 1.9540 1.9540 1.9547 1.9547 4.0167 4.0167 4.0538 4.0538 4.3083 4.3083 4.3510 4.3510 5.7335 5.7335 5.7412 5.7412 6.0932 6.0932 6.1032 6.1032 8.1726 8.1726 8.1740 8.1740 11.1749 11.1749 11.1853 11.1853 12.4808 12.4808 k = 0.4770 0.3285 0.1544 ( 5152 PWs) bands (ev): -14.9479 -14.9479 -14.9479 -14.9479 -14.9196 -14.9196 -14.9196 -14.9196 -13.9493 -13.9493 -13.9493 -13.9493 -13.8977 -13.8977 -13.8977 -13.8977 -13.8506 -13.8506 -13.8506 -13.8506 -5.2537 -5.2537 -5.2532 -5.2532 -4.6768 -4.6768 -4.6761 -4.6761 -0.3500 -0.3500 -0.3500 -0.3500 1.9622 1.9622 1.9633 1.9633 3.9698 3.9698 4.0109 4.0109 4.3043 4.3043 4.3525 4.3525 5.7244 5.7244 5.7346 5.7346 6.0776 6.0776 6.0907 6.0907 8.2090 8.2090 8.2107 8.2107 11.2183 11.2183 11.2326 11.2326 12.4781 12.4781 k = 0.4713 0.3384 0.1544 ( 5156 PWs) bands (ev): -14.9476 -14.9476 -14.9476 -14.9476 -14.9198 -14.9198 -14.9198 -14.9198 -13.9489 -13.9489 -13.9489 -13.9489 -13.8979 -13.8979 -13.8979 -13.8979 -13.8509 -13.8509 -13.8509 -13.8509 -5.2463 -5.2463 -5.2457 -5.2457 -4.6743 -4.6743 -4.6734 -4.6734 -0.3520 -0.3520 -0.3520 -0.3520 1.9728 1.9728 1.9742 1.9742 3.9154 3.9154 3.9576 3.9576 4.2993 4.2993 4.3498 4.3498 5.7117 5.7117 5.7241 5.7241 6.0610 6.0610 6.0769 6.0769 8.2538 8.2538 8.2558 8.2558 11.2726 11.2726 11.2915 11.2915 12.4764 12.4764 k = 0.4655 0.3484 0.1544 ( 5146 PWs) bands (ev): -14.9473 -14.9473 -14.9473 -14.9473 -14.9200 -14.9200 -14.9199 -14.9199 -13.9485 -13.9485 -13.9485 -13.9485 -13.8982 -13.8982 -13.8982 -13.8982 -13.8512 -13.8512 -13.8512 -13.8512 -5.2372 -5.2372 -5.2365 -5.2365 -4.6714 -4.6714 -4.6703 -4.6703 -0.3545 -0.3545 -0.3545 -0.3545 1.9858 1.9858 1.9875 1.9875 3.8547 3.8547 3.8963 3.8963 4.2918 4.2918 4.3427 4.3427 5.6946 5.6946 5.7089 5.7089 6.0449 6.0449 6.0630 6.0630 8.3058 8.3058 8.3080 8.3080 11.3364 11.3364 11.3608 11.3608 12.4757 12.4757 k = 0.4598 0.3584 0.1544 ( 5146 PWs) bands (ev): -14.9470 -14.9470 -14.9470 -14.9470 -14.9202 -14.9202 -14.9202 -14.9202 -13.9480 -13.9480 -13.9479 -13.9479 -13.8986 -13.8986 -13.8985 -13.8985 -13.8516 -13.8516 -13.8516 -13.8516 -5.2266 -5.2266 -5.2258 -5.2258 -4.6680 -4.6680 -4.6668 -4.6668 -0.3577 -0.3577 -0.3576 -0.3576 2.0012 2.0012 2.0031 2.0031 3.7889 3.7889 3.8288 3.8288 4.2809 4.2809 4.3308 4.3308 5.6732 5.6732 5.6889 5.6889 6.0306 6.0306 6.0502 6.0502 8.3633 8.3633 8.3658 8.3658 11.4083 11.4083 11.4391 11.4391 12.4760 12.4760 k = 0.4540 0.3683 0.1544 ( 5150 PWs) bands (ev): -14.9466 -14.9466 -14.9466 -14.9466 -14.9204 -14.9204 -14.9204 -14.9204 -13.9473 -13.9473 -13.9473 -13.9473 -13.8990 -13.8990 -13.8989 -13.8989 -13.8520 -13.8520 -13.8520 -13.8520 -5.2145 -5.2145 -5.2135 -5.2135 -4.6643 -4.6643 -4.6629 -4.6629 -0.3614 -0.3614 -0.3614 -0.3614 2.0188 2.0188 2.0211 2.0211 3.7192 3.7192 3.7569 3.7569 4.2657 4.2657 4.3139 4.3139 5.6480 5.6480 5.6646 5.6646 6.0186 6.0186 6.0390 6.0390 8.4250 8.4250 8.4277 8.4277 11.4863 11.4863 11.5250 11.5250 12.4776 12.4776 k = 0.4483 0.3783 0.1544 ( 5142 PWs) bands (ev): -14.9461 -14.9461 -14.9461 -14.9461 -14.9207 -14.9207 -14.9207 -14.9207 -13.9467 -13.9467 -13.9466 -13.9466 -13.8994 -13.8994 -13.8994 -13.8994 -13.8525 -13.8525 -13.8525 -13.8525 -5.2009 -5.2009 -5.1997 -5.1997 -4.6603 -4.6603 -4.6588 -4.6588 -0.3659 -0.3659 -0.3659 -0.3659 2.0388 2.0388 2.0415 2.0415 3.6468 3.6468 3.6819 3.6819 4.2457 4.2457 4.2917 4.2917 5.6201 5.6201 5.6372 5.6372 6.0091 6.0091 6.0296 6.0296 8.4891 8.4891 8.4920 8.4920 11.5682 11.5682 11.6166 11.6166 12.4808 12.4808 k = 0.4425 0.3882 0.1544 ( 5126 PWs) bands (ev): -14.9456 -14.9456 -14.9456 -14.9456 -14.9210 -14.9210 -14.9210 -14.9210 -13.9459 -13.9459 -13.9459 -13.9459 -13.9000 -13.9000 -13.8999 -13.8999 -13.8530 -13.8530 -13.8529 -13.8529 -5.1858 -5.1858 -5.1845 -5.1845 -4.6562 -4.6562 -4.6545 -4.6545 -0.3711 -0.3711 -0.3711 -0.3711 2.0610 2.0610 2.0641 2.0641 3.5726 3.5726 3.6052 3.6052 4.2201 4.2201 4.2636 4.2636 5.5911 5.5911 5.6084 5.6084 6.0015 6.0015 6.0218 6.0218 8.5542 8.5542 8.5572 8.5572 11.6516 11.6516 11.7123 11.7123 12.4861 12.4861 k = 0.4368 0.3982 0.1544 ( 5138 PWs) bands (ev): -14.9451 -14.9451 -14.9451 -14.9451 -14.9214 -14.9214 -14.9214 -14.9214 -13.9451 -13.9451 -13.9451 -13.9451 -13.9006 -13.9006 -13.9005 -13.9005 -13.8535 -13.8535 -13.8534 -13.8534 -5.1693 -5.1693 -5.1680 -5.1680 -4.6519 -4.6519 -4.6501 -4.6501 -0.3771 -0.3771 -0.3771 -0.3771 2.0854 2.0854 2.0889 2.0889 3.4979 3.4979 3.5279 3.5279 4.1887 4.1887 4.2295 4.2295 5.5626 5.5626 5.5800 5.5800 5.9953 5.9953 6.0150 6.0150 8.6186 8.6186 8.6219 8.6219 11.7340 11.7340 11.8096 11.8096 12.4936 12.4936 k = 0.4310 0.4081 0.1544 ( 5154 PWs) bands (ev): -14.9446 -14.9446 -14.9445 -14.9445 -14.9218 -14.9218 -14.9218 -14.9218 -13.9442 -13.9442 -13.9442 -13.9442 -13.9012 -13.9012 -13.9012 -13.9012 -13.8539 -13.8539 -13.8539 -13.8539 -5.1515 -5.1515 -5.1501 -5.1501 -4.6477 -4.6477 -4.6457 -4.6457 -0.3840 -0.3840 -0.3839 -0.3839 2.1120 2.1120 2.1160 2.1160 3.4236 3.4236 3.4510 3.4510 4.1510 4.1510 4.1891 4.1891 5.5361 5.5361 5.5535 5.5535 5.9898 5.9898 6.0088 6.0088 8.6812 8.6812 8.6847 8.6847 11.8127 11.8127 11.9063 11.9063 12.5033 12.5033 k = 0.4253 0.4181 0.1544 ( 5150 PWs) bands (ev): -14.9440 -14.9440 -14.9440 -14.9440 -14.9222 -14.9222 -14.9222 -14.9222 -13.9432 -13.9432 -13.9432 -13.9432 -13.9020 -13.9020 -13.9019 -13.9019 -13.8544 -13.8544 -13.8544 -13.8544 -5.1325 -5.1325 -5.1309 -5.1309 -4.6436 -4.6436 -4.6415 -4.6415 -0.3918 -0.3918 -0.3917 -0.3917 2.1407 2.1407 2.1453 2.1453 3.3505 3.3505 3.3754 3.3754 4.1070 4.1070 4.1424 4.1424 5.5129 5.5129 5.5303 5.5303 5.9845 5.9845 6.0027 6.0027 8.7407 8.7407 8.7444 8.7444 11.8854 11.8854 11.9998 11.9998 12.5148 12.5148 k = 0.4195 0.4280 0.1544 ( 5146 PWs) bands (ev): -14.9434 -14.9434 -14.9433 -14.9433 -14.9226 -14.9226 -14.9226 -14.9226 -13.9422 -13.9422 -13.9422 -13.9422 -13.9027 -13.9027 -13.9027 -13.9027 -13.8549 -13.8549 -13.8549 -13.8549 -5.1123 -5.1123 -5.1106 -5.1106 -4.6399 -4.6399 -4.6376 -4.6376 -0.4004 -0.4004 -0.4003 -0.4003 2.1715 2.1715 2.1767 2.1767 3.2796 3.2796 3.3020 3.3020 4.0568 4.0568 4.0895 4.0895 5.4940 5.4940 5.5114 5.5114 5.9788 5.9788 5.9963 5.9963 8.7960 8.7960 8.7999 8.7999 11.9506 11.9506 12.0874 12.0874 12.5277 12.5277 k = 0.4138 0.4380 0.1544 ( 5134 PWs) bands (ev): -14.9427 -14.9427 -14.9427 -14.9427 -14.9230 -14.9230 -14.9230 -14.9230 -13.9412 -13.9412 -13.9411 -13.9411 -13.9036 -13.9036 -13.9035 -13.9035 -13.8554 -13.8554 -13.8554 -13.8554 -5.0910 -5.0910 -5.0892 -5.0892 -4.6365 -4.6365 -4.6341 -4.6341 -0.4100 -0.4100 -0.4098 -0.4098 2.2043 2.2043 2.2102 2.2102 3.2114 3.2114 3.2315 3.2315 4.0008 4.0008 4.0308 4.0308 5.4798 5.4798 5.4973 5.4973 5.9725 5.9725 5.9892 5.9892 8.8464 8.8464 8.8504 8.8504 12.0078 12.0078 12.1666 12.1666 12.5416 12.5416 k = 0.4080 0.4479 0.1544 ( 5134 PWs) bands (ev): -14.9421 -14.9421 -14.9421 -14.9421 -14.9235 -14.9235 -14.9235 -14.9235 -13.9401 -13.9401 -13.9400 -13.9400 -13.9045 -13.9045 -13.9045 -13.9045 -13.8559 -13.8559 -13.8558 -13.8558 -5.0687 -5.0687 -5.0668 -5.0668 -4.6338 -4.6338 -4.6313 -4.6313 -0.4204 -0.4204 -0.4202 -0.4202 2.2389 2.2389 2.2457 2.2457 3.1468 3.1468 3.1646 3.1646 3.9395 3.9395 3.9670 3.9670 5.4708 5.4708 5.4883 5.4883 5.9651 5.9651 5.9812 5.9812 8.8912 8.8912 8.8955 8.8955 12.0576 12.0576 12.2356 12.2356 12.5565 12.5565 k = 0.4023 0.4579 0.1544 ( 5138 PWs) bands (ev): -14.9414 -14.9414 -14.9414 -14.9414 -14.9240 -14.9240 -14.9240 -14.9240 -13.9389 -13.9389 -13.9389 -13.9389 -13.9055 -13.9055 -13.9054 -13.9054 -13.8563 -13.8563 -13.8563 -13.8563 -5.0455 -5.0455 -5.0434 -5.0434 -4.6319 -4.6319 -4.6292 -4.6292 -0.4315 -0.4315 -0.4314 -0.4314 2.2753 2.2753 2.2831 2.2831 3.0863 3.0863 3.1017 3.1017 3.8737 3.8737 3.8988 3.8988 5.4670 5.4670 5.4844 5.4844 5.9565 5.9565 5.9719 5.9719 8.9303 8.9303 8.9346 8.9346 12.1015 12.1015 12.2940 12.2940 12.5722 12.5722 k = 0.3966 0.4679 0.1544 ( 5134 PWs) bands (ev): -14.9407 -14.9407 -14.9407 -14.9407 -14.9245 -14.9245 -14.9245 -14.9245 -13.9377 -13.9377 -13.9377 -13.9377 -13.9065 -13.9065 -13.9065 -13.9065 -13.8567 -13.8567 -13.8567 -13.8567 -5.0215 -5.0215 -5.0193 -5.0193 -4.6309 -4.6309 -4.6281 -4.6281 -0.4434 -0.4434 -0.4432 -0.4432 2.3133 2.3133 2.3223 2.3223 3.0303 3.0303 3.0435 3.0435 3.8042 3.8042 3.8270 3.8270 5.4681 5.4681 5.4854 5.4854 5.9463 5.9463 5.9613 5.9613 8.9634 8.9634 8.9679 8.9679 12.1410 12.1410 12.3426 12.3426 12.5879 12.5879 k = 0.3908 0.4778 0.1544 ( 5134 PWs) bands (ev): -14.9401 -14.9401 -14.9400 -14.9400 -14.9250 -14.9250 -14.9250 -14.9250 -13.9365 -13.9365 -13.9365 -13.9365 -13.9076 -13.9076 -13.9075 -13.9075 -13.8571 -13.8571 -13.8570 -13.8570 -4.9968 -4.9968 -4.9945 -4.9945 -4.6310 -4.6310 -4.6282 -4.6282 -0.4557 -0.4557 -0.4555 -0.4555 2.3527 2.3527 2.3632 2.3632 2.9792 2.9792 2.9904 2.9904 3.7321 3.7321 3.7526 3.7526 5.4738 5.4738 5.4910 5.4910 5.9345 5.9345 5.9490 5.9490 8.9908 8.9908 8.9954 8.9954 12.1774 12.1774 12.3830 12.3830 12.6025 12.6025 k = 0.3851 0.4878 0.1544 ( 5134 PWs) bands (ev): -14.9394 -14.9394 -14.9394 -14.9394 -14.9256 -14.9256 -14.9256 -14.9256 -13.9353 -13.9353 -13.9352 -13.9352 -13.9087 -13.9087 -13.9087 -13.9087 -13.8574 -13.8574 -13.8574 -13.8574 -4.9715 -4.9715 -4.9692 -4.9692 -4.6325 -4.6325 -4.6296 -4.6296 -0.4684 -0.4684 -0.4682 -0.4682 2.3933 2.3933 2.4056 2.4056 2.9330 2.9330 2.9430 2.9430 3.6582 3.6582 3.6765 3.6765 5.4839 5.4839 5.5009 5.5009 5.9209 5.9209 5.9350 5.9350 9.0127 9.0127 9.0174 9.0174 12.2120 12.2120 12.4176 12.4176 12.6149 12.6149 k = 0.3793 0.4977 0.1544 ( 5120 PWs) bands (ev): -14.9387 -14.9387 -14.9387 -14.9387 -14.9261 -14.9261 -14.9261 -14.9261 -13.9340 -13.9340 -13.9340 -13.9340 -13.9099 -13.9099 -13.9098 -13.9098 -13.8577 -13.8577 -13.8576 -13.8576 -4.9458 -4.9458 -4.9433 -4.9433 -4.6355 -4.6355 -4.6326 -4.6326 -0.4812 -0.4812 -0.4810 -0.4810 2.4347 2.4347 2.4493 2.4493 2.8918 2.8918 2.9019 2.9019 3.5838 3.5838 3.5998 3.5998 5.4978 5.4978 5.5146 5.5146 5.9053 5.9053 5.9192 5.9192 9.0296 9.0296 9.0345 9.0345 12.2456 12.2456 12.4480 12.4480 12.6241 12.6241 k = 0.3736 0.5077 0.1544 ( 5120 PWs) bands (ev): -14.9381 -14.9381 -14.9381 -14.9381 -14.9266 -14.9266 -14.9266 -14.9266 -13.9328 -13.9328 -13.9328 -13.9328 -13.9110 -13.9110 -13.9110 -13.9110 -13.8579 -13.8579 -13.8579 -13.8579 -4.9198 -4.9198 -4.9172 -4.9172 -4.6403 -4.6403 -4.6373 -4.6373 -0.4938 -0.4938 -0.4936 -0.4936 2.4762 2.4762 2.4939 2.4939 2.8554 2.8554 2.8676 2.8676 3.5098 3.5098 3.5236 3.5236 5.5153 5.5153 5.5318 5.5318 5.8877 5.8877 5.9014 5.9014 9.0421 9.0421 9.0473 9.0473 12.2785 12.2785 12.4758 12.4758 12.6295 12.6295 k = 0.3678 0.5176 0.1544 ( 5120 PWs) bands (ev): -14.9375 -14.9375 -14.9375 -14.9375 -14.9271 -14.9271 -14.9271 -14.9271 -13.9316 -13.9316 -13.9315 -13.9315 -13.9122 -13.9122 -13.9121 -13.9121 -13.8581 -13.8581 -13.8581 -13.8581 -4.8935 -4.8935 -4.8909 -4.8909 -4.6471 -4.6471 -4.6440 -4.6440 -0.5059 -0.5059 -0.5057 -0.5057 2.5173 2.5173 2.5388 2.5388 2.8239 2.8239 2.8405 2.8405 3.4374 3.4374 3.4490 3.4490 5.5358 5.5358 5.5520 5.5520 5.8680 5.8680 5.8815 5.8815 9.0509 9.0509 9.0563 9.0563 12.3109 12.3109 12.5013 12.5013 12.6312 12.6312 k = 0.3621 0.5276 0.1544 ( 5120 PWs) bands (ev): -14.9369 -14.9369 -14.9369 -14.9369 -14.9276 -14.9276 -14.9276 -14.9276 -13.9304 -13.9304 -13.9304 -13.9304 -13.9133 -13.9133 -13.9132 -13.9132 -13.8583 -13.8583 -13.8582 -13.8582 -4.8673 -4.8673 -4.8646 -4.8646 -4.6560 -4.6560 -4.6529 -4.6529 -0.5172 -0.5172 -0.5170 -0.5170 2.5568 2.5568 2.5834 2.5834 2.7975 2.7975 2.8205 2.8205 3.3682 3.3682 3.3774 3.3774 5.5591 5.5591 5.5750 5.5750 5.8462 5.8462 5.8596 5.8596 9.0567 9.0567 9.0623 9.0623 12.3430 12.3430 12.5243 12.5243 12.6300 12.6300 k = 0.3563 0.5375 0.1544 ( 5126 PWs) bands (ev): -14.9364 -14.9364 -14.9364 -14.9364 -14.9281 -14.9281 -14.9280 -14.9280 -13.9293 -13.9293 -13.9293 -13.9293 -13.9144 -13.9144 -13.9143 -13.9143 -13.8584 -13.8584 -13.8584 -13.8584 -4.8412 -4.8412 -4.8384 -4.8384 -4.6672 -4.6672 -4.6641 -4.6641 -0.5273 -0.5273 -0.5271 -0.5271 2.5933 2.5933 2.6263 2.6263 2.7764 2.7764 2.8076 2.8076 3.3039 3.3039 3.3108 3.3108 5.5847 5.5847 5.6004 5.6004 5.8223 5.8223 5.8356 5.8356 9.0601 9.0601 9.0659 9.0659 12.3746 12.3746 12.5427 12.5427 12.6283 12.6283 k = 0.3506 0.5475 0.1544 ( 5114 PWs) bands (ev): -14.9360 -14.9360 -14.9360 -14.9360 -14.9284 -14.9284 -14.9284 -14.9284 -13.9284 -13.9284 -13.9283 -13.9283 -13.9153 -13.9153 -13.9153 -13.9153 -13.8585 -13.8585 -13.8585 -13.8585 -4.8153 -4.8153 -4.8125 -4.8125 -4.6809 -4.6809 -4.6778 -4.6778 -0.5357 -0.5357 -0.5356 -0.5356 2.6250 2.6250 2.6647 2.6647 2.7614 2.7614 2.8012 2.8012 3.2468 3.2468 3.2517 3.2517 5.6125 5.6125 5.6278 5.6278 5.7962 5.7962 5.8096 5.8096 9.0618 9.0618 9.0678 9.0678 12.4053 12.4053 12.5520 12.5520 12.6305 12.6305 k = 0.3448 0.5574 0.1544 ( 5110 PWs) bands (ev): -14.9357 -14.9357 -14.9356 -14.9356 -14.9287 -14.9287 -14.9287 -14.9287 -13.9276 -13.9276 -13.9275 -13.9275 -13.9161 -13.9161 -13.9160 -13.9160 -13.8585 -13.8585 -13.8585 -13.8585 -4.7901 -4.7901 -4.7871 -4.7871 -4.6972 -4.6972 -4.6940 -4.6940 -0.5422 -0.5422 -0.5421 -0.5421 2.6507 2.6507 2.6926 2.6926 2.7554 2.7554 2.7989 2.7989 3.2006 3.2006 3.2040 3.2040 5.6419 5.6419 5.6570 5.6570 5.7682 5.7682 5.7816 5.7816 9.0624 9.0624 9.0685 9.0685 12.4342 12.4342 12.5490 12.5490 12.6402 12.6402 k = 0.3391 0.5674 0.1544 ( 5098 PWs) bands (ev): -14.9354 -14.9354 -14.9354 -14.9354 -14.9289 -14.9289 -14.9289 -14.9289 -13.9270 -13.9270 -13.9270 -13.9270 -13.9166 -13.9166 -13.9165 -13.9165 -13.8586 -13.8586 -13.8586 -13.8586 -4.7660 -4.7660 -4.7628 -4.7628 -4.7159 -4.7159 -4.7125 -4.7125 -0.5464 -0.5464 -0.5463 -0.5463 2.6701 2.6701 2.7010 2.7010 2.7633 2.7633 2.7962 2.7962 3.1700 3.1700 3.1722 3.1722 5.6726 5.6726 5.6876 5.6876 5.7384 5.7384 5.7517 5.7517 9.0625 9.0625 9.0686 9.0686 12.4588 12.4588 12.5379 12.5379 12.6529 12.6529 k = 0.3333 0.5774 0.1544 ( 5100 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9290 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9167 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7498 -4.7498 -4.7450 -4.7450 -4.7317 -4.7317 -4.7269 -4.7269 -0.5478 -0.5478 -0.5478 -0.5478 2.6801 2.6801 2.6981 2.6981 2.7724 2.7724 2.7920 2.7920 3.1598 3.1598 3.1607 3.1607 5.6988 5.6988 5.7109 5.7109 5.7197 5.7197 5.7215 5.7215 9.0624 9.0624 9.0686 9.0686 12.4706 12.4706 12.5305 12.5305 12.6593 12.6593 k = 0.3333 0.5774 0.1544 ( 5100 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9290 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9167 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7498 -4.7498 -4.7450 -4.7450 -4.7317 -4.7317 -4.7269 -4.7269 -0.5478 -0.5478 -0.5478 -0.5478 2.6801 2.6801 2.6981 2.6981 2.7724 2.7724 2.7920 2.7920 3.1598 3.1598 3.1607 3.1607 5.6988 5.6988 5.7109 5.7109 5.7197 5.7197 5.7215 5.7215 9.0624 9.0624 9.0686 9.0686 12.4706 12.4706 12.5305 12.5305 12.6593 12.6593 k = 0.3276 0.5674 0.1544 ( 5096 PWs) bands (ev): -14.9354 -14.9354 -14.9354 -14.9354 -14.9289 -14.9289 -14.9289 -14.9289 -13.9270 -13.9270 -13.9270 -13.9270 -13.9166 -13.9166 -13.9166 -13.9166 -13.8586 -13.8586 -13.8586 -13.8586 -4.7670 -4.7670 -4.7639 -4.7639 -4.7149 -4.7149 -4.7116 -4.7116 -0.5463 -0.5463 -0.5462 -0.5462 2.6684 2.6684 2.7026 2.7026 2.7617 2.7617 2.7988 2.7988 3.1693 3.1693 3.1721 3.1721 5.6713 5.6713 5.6863 5.6863 5.7397 5.7397 5.7530 5.7530 9.0626 9.0626 9.0688 9.0688 12.4583 12.4583 12.5380 12.5380 12.6530 12.6530 k = 0.3218 0.5574 0.1544 ( 5108 PWs) bands (ev): -14.9356 -14.9356 -14.9356 -14.9356 -14.9288 -14.9288 -14.9287 -14.9287 -13.9275 -13.9275 -13.9275 -13.9275 -13.9161 -13.9161 -13.9161 -13.9161 -13.8586 -13.8586 -13.8585 -13.8585 -4.7946 -4.7946 -4.7917 -4.7917 -4.6932 -4.6932 -4.6902 -4.6902 -0.5414 -0.5414 -0.5413 -0.5413 2.6441 2.6441 2.6962 2.6962 2.7533 2.7533 2.8101 2.8101 3.1969 3.1969 3.2017 3.2017 5.6366 5.6366 5.6517 5.6517 5.7734 5.7734 5.7867 5.7867 9.0633 9.0633 9.0694 9.0694 12.4313 12.4313 12.5470 12.5470 12.6428 12.6428 k = 0.3161 0.5475 0.1544 ( 5124 PWs) bands (ev): -14.9359 -14.9359 -14.9359 -14.9359 -14.9285 -14.9285 -14.9285 -14.9285 -13.9282 -13.9282 -13.9282 -13.9282 -13.9154 -13.9154 -13.9154 -13.9154 -13.8585 -13.8585 -13.8585 -13.8585 -4.8259 -4.8259 -4.8231 -4.8231 -4.6724 -4.6724 -4.6693 -4.6693 -0.5329 -0.5329 -0.5327 -0.5327 2.6137 2.6137 2.6676 2.6676 2.7641 2.7641 2.8239 2.8239 3.2382 3.2382 3.2442 3.2442 5.6005 5.6005 5.6158 5.6158 5.8078 5.8078 5.8210 5.8210 9.0648 9.0648 9.0708 9.0708 12.3984 12.3984 12.5407 12.5407 12.6439 12.6439 k = 0.3103 0.5375 0.1544 ( 5126 PWs) bands (ev): -14.9363 -14.9363 -14.9362 -14.9362 -14.9282 -14.9282 -14.9282 -14.9282 -13.9290 -13.9290 -13.9290 -13.9290 -13.9146 -13.9146 -13.9145 -13.9145 -13.8585 -13.8585 -13.8585 -13.8585 -4.8604 -4.8604 -4.8578 -4.8578 -4.6527 -4.6527 -4.6497 -4.6497 -0.5206 -0.5206 -0.5203 -0.5203 2.5802 2.5802 2.6308 2.6308 2.7840 2.7840 2.8411 2.8411 3.2888 3.2888 3.2952 3.2952 5.5634 5.5634 5.5790 5.5790 5.8427 5.8427 5.8556 5.8556 9.0673 9.0673 9.0732 9.0732 12.3622 12.3622 12.5176 12.5176 12.6587 12.6587 k = 0.3046 0.5276 0.1544 ( 5134 PWs) bands (ev): -14.9367 -14.9367 -14.9366 -14.9366 -14.9278 -14.9278 -14.9278 -14.9278 -13.9299 -13.9299 -13.9299 -13.9299 -13.9137 -13.9137 -13.9136 -13.9136 -13.8585 -13.8585 -13.8584 -13.8584 -4.8981 -4.8981 -4.8956 -4.8956 -4.6345 -4.6345 -4.6315 -4.6315 -0.5042 -0.5042 -0.5039 -0.5039 2.5462 2.5462 2.5932 2.5932 2.8084 2.8084 2.8620 2.8620 3.3459 3.3459 3.3523 3.3523 5.5256 5.5256 5.5416 5.5416 5.8776 5.8776 5.8904 5.8904 9.0708 9.0708 9.0765 9.0765 12.3242 12.3242 12.4856 12.4856 12.6799 12.6799 k = 0.2989 0.5176 0.1544 ( 5142 PWs) bands (ev): -14.9371 -14.9371 -14.9371 -14.9371 -14.9274 -14.9274 -14.9274 -14.9274 -13.9308 -13.9308 -13.9308 -13.9308 -13.9128 -13.9128 -13.9127 -13.9127 -13.8584 -13.8584 -13.8584 -13.8584 -4.9387 -4.9387 -4.9363 -4.9363 -4.6179 -4.6179 -4.6149 -4.6149 -0.4838 -0.4838 -0.4834 -0.4834 2.5134 2.5134 2.5575 2.5575 2.8360 2.8360 2.8865 2.8865 3.4076 3.4076 3.4136 3.4136 5.4876 5.4876 5.5039 5.5039 5.9125 5.9125 5.9251 5.9251 9.0754 9.0754 9.0809 9.0809 12.2851 12.2851 12.4499 12.4499 12.7030 12.7030 k = 0.2931 0.5077 0.1544 ( 5140 PWs) bands (ev): -14.9375 -14.9375 -14.9375 -14.9375 -14.9271 -14.9271 -14.9270 -14.9270 -13.9317 -13.9317 -13.9316 -13.9316 -13.9118 -13.9118 -13.9118 -13.9118 -13.8584 -13.8584 -13.8584 -13.8584 -4.9823 -4.9823 -4.9800 -4.9800 -4.6031 -4.6031 -4.6002 -4.6002 -0.4592 -0.4592 -0.4587 -0.4587 2.4834 2.4834 2.5251 2.5251 2.8665 2.8665 2.9143 2.9143 3.4725 3.4725 3.4781 3.4781 5.4496 5.4496 5.4663 5.4663 5.9470 5.9470 5.9595 5.9595 9.0810 9.0810 9.0863 9.0863 12.2457 12.2457 12.4127 12.4127 12.7263 12.7263 k = 0.2874 0.4977 0.1544 ( 5136 PWs) bands (ev): -14.9380 -14.9380 -14.9380 -14.9380 -14.9267 -14.9267 -14.9267 -14.9267 -13.9325 -13.9325 -13.9325 -13.9325 -13.9109 -13.9109 -13.9108 -13.9108 -13.8584 -13.8584 -13.8584 -13.8584 -5.0285 -5.0285 -5.0263 -5.0263 -4.5902 -4.5902 -4.5874 -4.5874 -0.4303 -0.4303 -0.4298 -0.4298 2.4569 2.4569 2.4969 2.4969 2.8993 2.8993 2.9449 2.9449 3.5401 3.5401 3.5450 3.5450 5.4121 5.4121 5.4292 5.4292 5.9810 5.9810 5.9934 5.9934 9.0877 9.0877 9.0928 9.0928 12.2064 12.2064 12.3751 12.3751 12.7490 12.7490 k = 0.2816 0.4878 0.1544 ( 5120 PWs) bands (ev): -14.9384 -14.9384 -14.9384 -14.9384 -14.9263 -14.9263 -14.9263 -14.9263 -13.9334 -13.9334 -13.9333 -13.9333 -13.9100 -13.9100 -13.9099 -13.9099 -13.8585 -13.8585 -13.8584 -13.8584 -5.0773 -5.0773 -5.0753 -5.0753 -4.5793 -4.5793 -4.5765 -4.5765 -0.3973 -0.3973 -0.3967 -0.3967 2.4348 2.4348 2.4733 2.4733 2.9342 2.9342 2.9780 2.9780 3.6096 3.6096 3.6139 3.6139 5.3755 5.3755 5.3929 5.3929 6.0143 6.0143 6.0267 6.0267 9.0954 9.0954 9.1003 9.1003 12.1678 12.1678 12.3380 12.3380 12.7707 12.7707 k = 0.2759 0.4778 0.1544 ( 5128 PWs) bands (ev): -14.9388 -14.9388 -14.9388 -14.9388 -14.9259 -14.9259 -14.9259 -14.9259 -13.9341 -13.9341 -13.9341 -13.9341 -13.9091 -13.9091 -13.9091 -13.9091 -13.8585 -13.8585 -13.8585 -13.8585 -5.1284 -5.1284 -5.1265 -5.1265 -4.5706 -4.5706 -4.5679 -4.5679 -0.3601 -0.3601 -0.3595 -0.3595 2.4174 2.4174 2.4550 2.4550 2.9708 2.9708 3.0131 3.0131 3.6808 3.6808 3.6843 3.6843 5.3403 5.3403 5.3580 5.3580 6.0467 6.0467 6.0590 6.0590 9.1039 9.1039 9.1087 9.1087 12.1304 12.1304 12.3021 12.3021 12.7912 12.7912 k = 0.2701 0.4679 0.1544 ( 5134 PWs) bands (ev): -14.9393 -14.9393 -14.9392 -14.9392 -14.9256 -14.9256 -14.9256 -14.9256 -13.9348 -13.9348 -13.9348 -13.9348 -13.9083 -13.9083 -13.9082 -13.9082 -13.8586 -13.8586 -13.8586 -13.8586 -5.1817 -5.1817 -5.1799 -5.1799 -4.5641 -4.5641 -4.5614 -4.5614 -0.3190 -0.3190 -0.3183 -0.3183 2.4052 2.4052 2.4420 2.4420 3.0088 3.0088 3.0499 3.0499 3.7532 3.7532 3.7560 3.7560 5.3067 5.3067 5.3248 5.3248 6.0780 6.0780 6.0903 6.0903 9.1133 9.1133 9.1179 9.1179 12.0946 12.0946 12.2677 12.2677 12.8100 12.8100 k = 0.2644 0.4579 0.1544 ( 5136 PWs) bands (ev): -14.9396 -14.9396 -14.9396 -14.9396 -14.9252 -14.9252 -14.9252 -14.9252 -13.9354 -13.9354 -13.9354 -13.9354 -13.9075 -13.9075 -13.9075 -13.9075 -13.8587 -13.8587 -13.8587 -13.8587 -5.2369 -5.2369 -5.2353 -5.2353 -4.5598 -4.5598 -4.5572 -4.5572 -0.2740 -0.2740 -0.2733 -0.2733 2.3984 2.3984 2.4348 2.4348 3.0478 3.0478 3.0880 3.0880 3.8266 3.8266 3.8286 3.8286 5.2755 5.2755 5.2938 5.2938 6.1080 6.1080 6.1204 6.1204 9.1233 9.1233 9.1278 9.1278 12.0606 12.0606 12.2354 12.2354 12.8270 12.8270 k = 0.2586 0.4479 0.1544 ( 5140 PWs) bands (ev): -14.9400 -14.9400 -14.9400 -14.9400 -14.9249 -14.9249 -14.9249 -14.9249 -13.9360 -13.9360 -13.9359 -13.9359 -13.9068 -13.9068 -13.9067 -13.9067 -13.8589 -13.8589 -13.8589 -13.8589 -5.2939 -5.2939 -5.2923 -5.2923 -4.5578 -4.5578 -4.5553 -4.5553 -0.2252 -0.2252 -0.2246 -0.2246 2.3973 2.3973 2.4334 2.4334 3.0875 3.0875 3.1269 3.1269 3.9008 3.9008 3.9020 3.9020 5.2469 5.2469 5.2654 5.2654 6.1366 6.1366 6.1491 6.1491 9.1340 9.1340 9.1382 9.1382 12.0287 12.0287 12.2055 12.2055 12.8417 12.8417 k = 0.2529 0.4380 0.1544 ( 5128 PWs) bands (ev): -14.9403 -14.9403 -14.9403 -14.9403 -14.9246 -14.9246 -14.9246 -14.9246 -13.9365 -13.9365 -13.9364 -13.9364 -13.9061 -13.9061 -13.9060 -13.9060 -13.8591 -13.8591 -13.8591 -13.8591 -5.3523 -5.3523 -5.3509 -5.3509 -4.5582 -4.5582 -4.5558 -4.5558 -0.1730 -0.1730 -0.1724 -0.1724 2.4019 2.4019 2.4379 2.4379 3.1275 3.1275 3.1663 3.1663 3.9754 3.9754 3.9762 3.9762 5.2215 5.2215 5.2402 5.2402 6.1636 6.1636 6.1763 6.1763 9.1451 9.1451 9.1492 9.1492 11.9993 11.9993 12.1781 12.1781 12.8539 12.8539 k = 0.2471 0.4280 0.1544 ( 5120 PWs) bands (ev): -14.9407 -14.9407 -14.9406 -14.9406 -14.9243 -14.9243 -14.9243 -14.9243 -13.9368 -13.9368 -13.9368 -13.9368 -13.9054 -13.9054 -13.9054 -13.9054 -13.8594 -13.8594 -13.8593 -13.8593 -5.4120 -5.4120 -5.4107 -5.4107 -4.5609 -4.5609 -4.5586 -4.5586 -0.1176 -0.1176 -0.1170 -0.1170 2.4123 2.4123 2.4485 2.4485 3.1675 3.1675 3.2059 3.2059 4.0499 4.0499 4.0512 4.0512 5.1998 5.1998 5.2185 5.2185 6.1889 6.1889 6.2018 6.2018 9.1566 9.1566 9.1605 9.1605 11.9723 11.9723 12.1535 12.1535 12.8629 12.8629 k = 0.2414 0.4181 0.1544 ( 5116 PWs) bands (ev): -14.9410 -14.9410 -14.9409 -14.9409 -14.9241 -14.9241 -14.9240 -14.9240 -13.9372 -13.9372 -13.9371 -13.9371 -13.9048 -13.9048 -13.9048 -13.9048 -13.8597 -13.8597 -13.8597 -13.8597 -5.4727 -5.4727 -5.4715 -5.4715 -4.5659 -4.5659 -4.5638 -4.5638 -0.0591 -0.0591 -0.0587 -0.0587 2.4286 2.4286 2.4652 2.4652 3.2071 3.2071 3.2454 3.2454 4.1244 4.1244 4.1267 4.1267 5.1822 5.1822 5.2009 5.2009 6.2124 6.2124 6.2255 6.2255 9.1684 9.1684 9.1722 9.1722 11.9479 11.9479 12.1318 12.1318 12.8682 12.8682 k = 0.2356 0.4081 0.1544 ( 5118 PWs) bands (ev): -14.9412 -14.9412 -14.9412 -14.9412 -14.9238 -14.9238 -14.9238 -14.9238 -13.9374 -13.9374 -13.9373 -13.9373 -13.9043 -13.9043 -13.9042 -13.9042 -13.8600 -13.8600 -13.8600 -13.8600 -5.5342 -5.5342 -5.5331 -5.5331 -4.5732 -4.5732 -4.5712 -4.5712 0.0020 0.0020 0.0024 0.0024 2.4508 2.4508 2.4879 2.4879 3.2460 3.2460 3.2843 3.2843 4.1988 4.1988 4.2023 4.2023 5.1691 5.1691 5.1877 5.1877 6.2339 6.2339 6.2473 6.2473 9.1806 9.1806 9.1841 9.1841 11.9262 11.9262 12.1129 12.1129 12.8691 12.8691 k = 0.2299 0.3982 0.1544 ( 5122 PWs) bands (ev): -14.9415 -14.9415 -14.9414 -14.9414 -14.9236 -14.9236 -14.9236 -14.9236 -13.9376 -13.9376 -13.9375 -13.9375 -13.9037 -13.9037 -13.9037 -13.9037 -13.8605 -13.8605 -13.8604 -13.8604 -5.5963 -5.5963 -5.5953 -5.5953 -4.5828 -4.5828 -4.5809 -4.5809 0.0656 0.0656 0.0659 0.0659 2.4788 2.4788 2.5166 2.5166 3.2840 3.2840 3.3225 3.3225 4.2730 4.2730 4.2778 4.2778 5.1609 5.1609 5.1792 5.1792 6.2533 6.2533 6.2671 6.2671 9.1929 9.1929 9.1963 9.1963 11.9069 11.9069 12.0969 12.0969 12.8647 12.8647 k = 0.2241 0.3882 0.1544 ( 5122 PWs) bands (ev): -14.9417 -14.9417 -14.9417 -14.9417 -14.9234 -14.9234 -14.9233 -14.9233 -13.9376 -13.9376 -13.9376 -13.9376 -13.9033 -13.9033 -13.9032 -13.9032 -13.8609 -13.8609 -13.8609 -13.8609 -5.6589 -5.6589 -5.6579 -5.6579 -4.5945 -4.5945 -4.5927 -4.5927 0.1312 0.1312 0.1314 0.1314 2.5126 2.5126 2.5512 2.5512 3.3210 3.3210 3.3599 3.3599 4.3468 4.3468 4.3531 4.3531 5.1580 5.1580 5.1759 5.1759 6.2707 6.2707 6.2849 6.2849 9.2054 9.2054 9.2086 9.2086 11.8901 11.8901 12.0835 12.0835 12.8544 12.8544 k = 0.2184 0.3783 0.1544 ( 5136 PWs) bands (ev): -14.9419 -14.9419 -14.9419 -14.9419 -14.9232 -14.9232 -14.9231 -14.9231 -13.9376 -13.9376 -13.9376 -13.9376 -13.9028 -13.9028 -13.9028 -13.9028 -13.8614 -13.8614 -13.8614 -13.8614 -5.7216 -5.7216 -5.7208 -5.7208 -4.6083 -4.6083 -4.6067 -4.6067 0.1985 0.1985 0.1986 0.1986 2.5521 2.5521 2.5917 2.5917 3.3569 3.3569 3.3963 3.3963 4.4201 4.4201 4.4280 4.4280 5.1605 5.1605 5.1779 5.1779 6.2860 6.2860 6.3006 6.3006 9.2182 9.2182 9.2210 9.2210 11.8754 11.8754 12.0726 12.0726 12.8377 12.8377 k = 0.2126 0.3683 0.1544 ( 5136 PWs) bands (ev): -14.9421 -14.9421 -14.9420 -14.9420 -14.9230 -14.9230 -14.9229 -14.9229 -13.9376 -13.9376 -13.9375 -13.9375 -13.9024 -13.9024 -13.9024 -13.9024 -13.8620 -13.8620 -13.8620 -13.8620 -5.7843 -5.7843 -5.7836 -5.7836 -4.6241 -4.6241 -4.6225 -4.6225 0.2671 0.2671 0.2673 0.2673 2.5972 2.5972 2.6380 2.6380 3.3916 3.3916 3.4318 3.4318 4.4927 4.4927 4.5024 4.5024 5.1686 5.1686 5.1852 5.1852 6.2991 6.2991 6.3143 6.3143 9.2311 9.2311 9.2337 9.2337 11.8627 11.8627 12.0639 12.0639 12.8145 12.8145 k = 0.2069 0.3584 0.1544 ( 5138 PWs) bands (ev): -14.9422 -14.9422 -14.9422 -14.9422 -14.9228 -14.9228 -14.9228 -14.9228 -13.9374 -13.9374 -13.9374 -13.9374 -13.9021 -13.9021 -13.9020 -13.9020 -13.8626 -13.8626 -13.8626 -13.8626 -5.8469 -5.8469 -5.8462 -5.8462 -4.6417 -4.6417 -4.6403 -4.6403 0.3366 0.3366 0.3369 0.3369 2.6476 2.6476 2.6898 2.6898 3.4253 3.4253 3.4665 3.4665 4.5645 4.5645 4.5760 4.5760 5.1822 5.1822 5.1980 5.1980 6.3101 6.3101 6.3258 6.3258 9.2443 9.2443 9.2467 9.2467 11.8516 11.8516 12.0568 12.0568 12.7850 12.7850 k = 0.2011 0.3484 0.1544 ( 5136 PWs) bands (ev): -14.9424 -14.9424 -14.9424 -14.9424 -14.9226 -14.9226 -14.9226 -14.9226 -13.9372 -13.9372 -13.9372 -13.9372 -13.9017 -13.9017 -13.9017 -13.9017 -13.8633 -13.8633 -13.8633 -13.8633 -5.9091 -5.9091 -5.9085 -5.9085 -4.6611 -4.6611 -4.6597 -4.6597 0.4067 0.4067 0.4071 0.4071 2.7032 2.7032 2.7471 2.7471 3.4582 3.4582 3.5007 3.5007 4.6354 4.6354 4.6489 4.6489 5.2012 5.2012 5.2160 5.2160 6.3190 6.3190 6.3353 6.3353 9.2577 9.2577 9.2599 9.2599 11.8416 11.8416 12.0510 12.0510 12.7499 12.7499 k = 0.1954 0.3384 0.1544 ( 5140 PWs) bands (ev): -14.9425 -14.9425 -14.9425 -14.9425 -14.9225 -14.9225 -14.9224 -14.9224 -13.9370 -13.9370 -13.9369 -13.9369 -13.9014 -13.9014 -13.9014 -13.9014 -13.8640 -13.8640 -13.8640 -13.8640 -5.9709 -5.9709 -5.9703 -5.9703 -4.6820 -4.6820 -4.6808 -4.6808 0.4768 0.4768 0.4774 0.4774 2.7639 2.7639 2.8096 2.8096 3.4909 3.4909 3.5348 3.5348 4.7053 4.7053 4.7209 4.7209 5.2254 5.2254 5.2391 5.2391 6.3259 6.3259 6.3428 6.3428 9.2714 9.2714 9.2735 9.2735 11.8323 11.8323 12.0458 12.0458 12.7101 12.7101 k = 0.1897 0.3285 0.1544 ( 5136 PWs) bands (ev): -14.9426 -14.9426 -14.9426 -14.9426 -14.9223 -14.9223 -14.9223 -14.9223 -13.9367 -13.9367 -13.9366 -13.9366 -13.9012 -13.9012 -13.9011 -13.9011 -13.8648 -13.8648 -13.8647 -13.8647 -6.0320 -6.0320 -6.0315 -6.0315 -4.7044 -4.7044 -4.7032 -4.7032 0.5467 0.5467 0.5473 0.5473 2.8293 2.8293 2.8770 2.8770 3.5236 3.5236 3.5693 3.5693 4.7741 4.7741 4.7919 4.7919 5.2543 5.2543 5.2668 5.2668 6.3309 6.3309 6.3483 6.3483 9.2854 9.2854 9.2876 9.2876 11.8232 11.8232 12.0404 12.0404 12.6665 12.6665 k = 0.1839 0.3185 0.1544 ( 5138 PWs) bands (ev): -14.9427 -14.9427 -14.9427 -14.9427 -14.9222 -14.9222 -14.9221 -14.9221 -13.9363 -13.9363 -13.9363 -13.9363 -13.9009 -13.9009 -13.9008 -13.9008 -13.8655 -13.8655 -13.8655 -13.8655 -6.0923 -6.0923 -6.0918 -6.0918 -4.7280 -4.7280 -4.7270 -4.7270 0.6157 0.6157 0.6164 0.6164 2.8992 2.8992 2.9492 2.9492 3.5571 3.5571 3.6049 3.6049 4.8417 4.8417 4.8617 4.8617 5.2875 5.2875 5.2988 5.2988 6.3341 6.3341 6.3521 6.3521 9.2998 9.2998 9.3022 9.3022 11.8136 11.8136 12.0339 12.0339 12.6204 12.6204 k = 0.1782 0.3086 0.1544 ( 5154 PWs) bands (ev): -14.9429 -14.9429 -14.9428 -14.9428 -14.9220 -14.9220 -14.9220 -14.9220 -13.9360 -13.9360 -13.9359 -13.9359 -13.9006 -13.9006 -13.9006 -13.9006 -13.8664 -13.8664 -13.8663 -13.8663 -6.1517 -6.1517 -6.1513 -6.1513 -4.7528 -4.7528 -4.7518 -4.7518 0.6834 0.6834 0.6842 0.6842 2.9733 2.9733 3.0259 3.0259 3.5920 3.5920 3.6422 3.6422 4.9081 4.9081 4.9303 4.9303 5.3242 5.3242 5.3345 5.3345 6.3356 6.3356 6.3543 6.3543 9.3147 9.3147 9.3174 9.3174 11.8031 11.8031 12.0255 12.0255 12.5728 12.5728 k = 0.1724 0.2986 0.1544 ( 5164 PWs) bands (ev): -14.9430 -14.9430 -14.9429 -14.9429 -14.9219 -14.9219 -14.9219 -14.9219 -13.9356 -13.9356 -13.9355 -13.9355 -13.9004 -13.9004 -13.9003 -13.9003 -13.8672 -13.8672 -13.8672 -13.8672 -6.2101 -6.2101 -6.2098 -6.2098 -4.7785 -4.7785 -4.7777 -4.7777 0.7493 0.7493 0.7503 0.7503 3.0513 3.0513 3.1067 3.1067 3.6291 3.6291 3.6819 3.6819 4.9733 4.9733 4.9976 4.9976 5.3640 5.3640 5.3733 5.3733 6.3355 6.3355 6.3549 6.3549 9.3300 9.3300 9.3332 9.3332 11.7909 11.7909 12.0139 12.0139 12.5250 12.5250 k = 0.1667 0.2887 0.1544 ( 5160 PWs) bands (ev): -14.9431 -14.9431 -14.9430 -14.9430 -14.9217 -14.9217 -14.9217 -14.9217 -13.9351 -13.9351 -13.9351 -13.9351 -13.9002 -13.9002 -13.9001 -13.9001 -13.8680 -13.8680 -13.8680 -13.8680 -6.2674 -6.2674 -6.2671 -6.2671 -4.8051 -4.8051 -4.8043 -4.8043 0.8131 0.8131 0.8141 0.8141 3.1329 3.1329 3.1913 3.1913 3.6691 3.6691 3.7248 3.7248 5.0371 5.0371 5.0635 5.0635 5.4060 5.4060 5.4147 5.4147 6.3342 6.3342 6.3542 6.3542 9.3459 9.3459 9.3496 9.3496 11.7765 11.7765 11.9980 11.9980 12.4781 12.4781 k = 0.1609 0.2787 0.1544 ( 5156 PWs) bands (ev): -14.9432 -14.9432 -14.9431 -14.9431 -14.9216 -14.9216 -14.9216 -14.9216 -13.9347 -13.9347 -13.9347 -13.9347 -13.8999 -13.8999 -13.8999 -13.8999 -13.8689 -13.8689 -13.8689 -13.8689 -6.3234 -6.3234 -6.3231 -6.3231 -4.8323 -4.8323 -4.8316 -4.8316 0.8742 0.8742 0.8752 0.8752 3.2176 3.2176 3.2792 3.2792 3.7129 3.7129 3.7718 3.7718 5.0995 5.0995 5.1279 5.1279 5.4497 5.4497 5.4579 5.4579 6.3317 6.3317 6.3523 6.3523 9.3624 9.3624 9.3666 9.3666 11.7594 11.7594 11.9766 11.9766 12.4332 12.4332 k = 0.1552 0.2688 0.1544 ( 5146 PWs) bands (ev): -14.9433 -14.9433 -14.9433 -14.9433 -14.9215 -14.9215 -14.9214 -14.9214 -13.9343 -13.9343 -13.9342 -13.9342 -13.8997 -13.8997 -13.8996 -13.8996 -13.8698 -13.8698 -13.8698 -13.8698 -6.3781 -6.3781 -6.3779 -6.3779 -4.8600 -4.8600 -4.8594 -4.8594 0.9323 0.9323 0.9333 0.9333 3.3052 3.3052 3.3700 3.3700 3.7614 3.7614 3.8234 3.8234 5.1605 5.1605 5.1906 5.1906 5.4944 5.4944 5.5024 5.5024 6.3284 6.3284 6.3496 6.3496 9.3794 9.3794 9.3841 9.3841 11.7389 11.7389 11.9489 11.9489 12.3908 12.3908 k = 0.1494 0.2588 0.1544 ( 5150 PWs) bands (ev): -14.9434 -14.9434 -14.9434 -14.9434 -14.9213 -14.9213 -14.9213 -14.9213 -13.9339 -13.9339 -13.9338 -13.9338 -13.8994 -13.8994 -13.8994 -13.8994 -13.8707 -13.8707 -13.8706 -13.8706 -6.4314 -6.4314 -6.4312 -6.4312 -4.8880 -4.8880 -4.8875 -4.8875 0.9869 0.9869 0.9879 0.9879 3.3952 3.3952 3.4630 3.4630 3.8152 3.8152 3.8804 3.8804 5.2198 5.2198 5.2516 5.2516 5.5394 5.5394 5.5475 5.5475 6.3245 6.3245 6.3461 6.3461 9.3969 9.3969 9.4022 9.4022 11.7146 11.7146 11.9142 11.9142 12.3513 12.3513 k = 0.1437 0.2489 0.1544 ( 5154 PWs) bands (ev): -14.9435 -14.9435 -14.9435 -14.9435 -14.9212 -14.9212 -14.9211 -14.9211 -13.9335 -13.9335 -13.9334 -13.9334 -13.8991 -13.8991 -13.8991 -13.8991 -13.8715 -13.8715 -13.8715 -13.8715 -6.4832 -6.4832 -6.4830 -6.4830 -4.9163 -4.9163 -4.9158 -4.9158 1.0379 1.0379 1.0388 1.0388 3.4872 3.4872 3.5577 3.5577 3.8754 3.8754 3.9433 3.9433 5.2774 5.2774 5.3105 5.3105 5.5843 5.5843 5.5927 5.5927 6.3201 6.3201 6.3423 6.3423 9.4148 9.4148 9.4207 9.4207 11.6863 11.6863 11.8727 11.8727 12.3144 12.3144 k = 0.1379 0.2389 0.1544 ( 5150 PWs) bands (ev): -14.9437 -14.9437 -14.9436 -14.9436 -14.9210 -14.9210 -14.9210 -14.9210 -13.9331 -13.9331 -13.9331 -13.9331 -13.8988 -13.8988 -13.8988 -13.8988 -13.8724 -13.8724 -13.8724 -13.8724 -6.5334 -6.5334 -6.5332 -6.5332 -4.9446 -4.9446 -4.9441 -4.9441 1.0849 1.0849 1.0858 1.0858 3.5810 3.5810 3.6534 3.6534 3.9426 3.9426 4.0124 4.0124 5.3330 5.3330 5.3673 5.3673 5.6286 5.6286 5.6374 5.6374 6.3157 6.3157 6.3382 6.3382 9.4329 9.4329 9.4393 9.4393 11.6537 11.6537 11.8249 11.8249 12.2793 12.2793 k = 0.1322 0.2289 0.1544 ( 5150 PWs) bands (ev): -14.9438 -14.9438 -14.9438 -14.9438 -14.9209 -14.9209 -14.9209 -14.9209 -13.9328 -13.9328 -13.9327 -13.9327 -13.8985 -13.8985 -13.8984 -13.8984 -13.8732 -13.8732 -13.8732 -13.8732 -6.5819 -6.5819 -6.5818 -6.5818 -4.9728 -4.9728 -4.9724 -4.9724 1.1279 1.1279 1.1287 1.1287 3.6763 3.6763 3.7493 3.7493 4.0173 4.0173 4.0879 4.0879 5.3864 5.3864 5.4217 5.4217 5.6718 5.6718 5.6811 5.6811 6.3115 6.3115 6.3343 6.3343 9.4510 9.4510 9.4579 9.4579 11.6167 11.6167 11.7714 11.7714 12.2450 12.2450 k = 0.1264 0.2190 0.1544 ( 5162 PWs) bands (ev): -14.9440 -14.9440 -14.9439 -14.9439 -14.9207 -14.9207 -14.9207 -14.9207 -13.9325 -13.9325 -13.9325 -13.9325 -13.8981 -13.8981 -13.8981 -13.8981 -13.8741 -13.8741 -13.8740 -13.8740 -6.6288 -6.6288 -6.6287 -6.6287 -5.0007 -5.0007 -5.0004 -5.0004 1.1668 1.1668 1.1675 1.1675 3.7728 3.7728 3.8450 3.8450 4.0999 4.0999 4.1699 4.1699 5.4376 5.4376 5.4734 5.4734 5.7136 5.7136 5.7234 5.7234 6.3079 6.3079 6.3306 6.3306 9.4687 9.4687 9.4761 9.4761 11.5753 11.5753 11.7131 11.7131 12.2104 12.2104 k = 0.1207 0.2090 0.1544 ( 5162 PWs) bands (ev): -14.9441 -14.9441 -14.9441 -14.9441 -14.9206 -14.9206 -14.9205 -14.9205 -13.9323 -13.9323 -13.9322 -13.9322 -13.8977 -13.8977 -13.8977 -13.8977 -13.8749 -13.8749 -13.8748 -13.8748 -6.6739 -6.6739 -6.6738 -6.6738 -5.0283 -5.0283 -5.0280 -5.0280 1.2016 1.2016 1.2022 1.2022 3.8706 3.8706 3.9403 3.9403 4.1900 4.1900 4.2578 4.2578 5.4861 5.4861 5.5222 5.5222 5.7537 5.7537 5.7640 5.7640 6.3050 6.3050 6.3276 6.3276 9.4858 9.4858 9.4935 9.4935 11.5296 11.5296 11.6507 11.6507 12.1739 12.1739 k = 0.1149 0.1991 0.1544 ( 5168 PWs) bands (ev): -14.9443 -14.9443 -14.9443 -14.9443 -14.9204 -14.9204 -14.9204 -14.9204 -13.9321 -13.9321 -13.9321 -13.9321 -13.8973 -13.8973 -13.8972 -13.8972 -13.8756 -13.8756 -13.8756 -13.8756 -6.7172 -6.7172 -6.7171 -6.7171 -5.0554 -5.0554 -5.0552 -5.0552 1.2323 1.2323 1.2329 1.2329 3.9694 3.9694 4.0354 4.0354 4.2871 4.2871 4.3514 4.3514 5.5318 5.5318 5.5678 5.5678 5.7919 5.7919 5.8026 5.8026 6.3032 6.3032 6.3255 6.3255 9.5016 9.5016 9.5096 9.5096 11.4796 11.4796 11.5849 11.5849 12.1323 12.1323 k = 0.1092 0.1891 0.1544 ( 5172 PWs) bands (ev): -14.9445 -14.9445 -14.9445 -14.9445 -14.9202 -14.9202 -14.9202 -14.9202 -13.9320 -13.9320 -13.9320 -13.9320 -13.8968 -13.8968 -13.8967 -13.8967 -13.8764 -13.8764 -13.8764 -13.8764 -6.7586 -6.7586 -6.7585 -6.7585 -5.0820 -5.0820 -5.0818 -5.0818 1.2593 1.2593 1.2597 1.2597 4.0695 4.0695 4.1308 4.1308 4.3899 4.3899 4.4499 4.4499 5.5745 5.5745 5.6098 5.6098 5.8281 5.8281 5.8391 5.8391 6.3026 6.3026 6.3244 6.3244 9.5158 9.5158 9.5240 9.5240 11.4256 11.4256 11.5161 11.5161 12.0858 12.0858 k = 0.1034 0.1792 0.1544 ( 5164 PWs) bands (ev): -14.9447 -14.9447 -14.9447 -14.9447 -14.9201 -14.9201 -14.9201 -14.9201 -13.9319 -13.9319 -13.9319 -13.9319 -13.8962 -13.8962 -13.8962 -13.8962 -13.8771 -13.8771 -13.8771 -13.8771 -6.7981 -6.7981 -6.7981 -6.7981 -5.1078 -5.1078 -5.1076 -5.1076 1.2826 1.2826 1.2830 1.2830 4.1708 4.1708 4.2270 4.2270 4.4972 4.4972 4.5525 4.5525 5.6139 5.6139 5.6480 5.6480 5.8624 5.8624 5.8734 5.8734 6.3035 6.3035 6.3245 6.3245 9.5277 9.5277 9.5359 9.5359 11.3676 11.3676 11.4445 11.4445 12.0389 12.0389 k = 0.0977 0.1692 0.1544 ( 5168 PWs) bands (ev): -14.9449 -14.9449 -14.9449 -14.9449 -14.9199 -14.9199 -14.9199 -14.9199 -13.9319 -13.9319 -13.9319 -13.9319 -13.8957 -13.8957 -13.8956 -13.8956 -13.8778 -13.8778 -13.8777 -13.8777 -6.8357 -6.8357 -6.8356 -6.8356 -5.1328 -5.1328 -5.1326 -5.1326 1.3026 1.3026 1.3029 1.3029 4.2731 4.2731 4.3241 4.3241 4.6077 4.6077 4.6583 4.6583 5.6499 5.6499 5.6820 5.6820 5.8948 5.8948 5.9056 5.9056 6.3058 6.3058 6.3258 6.3258 9.5366 9.5366 9.5447 9.5447 11.3057 11.3057 11.3704 11.3704 11.9935 11.9935 k = 0.0920 0.1593 0.1544 ( 5170 PWs) bands (ev): -14.9451 -14.9451 -14.9451 -14.9451 -14.9197 -14.9197 -14.9197 -14.9197 -13.9320 -13.9320 -13.9320 -13.9320 -13.8951 -13.8951 -13.8951 -13.8951 -13.8784 -13.8784 -13.8784 -13.8784 -6.8713 -6.8713 -6.8712 -6.8712 -5.1568 -5.1568 -5.1567 -5.1567 1.3196 1.3196 1.3198 1.3198 4.3763 4.3763 4.4223 4.4223 4.7203 4.7203 4.7664 4.7664 5.6824 5.6824 5.7116 5.7116 5.9257 5.9257 5.9359 5.9359 6.3095 6.3095 6.3282 6.3282 9.5419 9.5419 9.5497 9.5497 11.2401 11.2401 11.2938 11.2938 11.9507 11.9507 k = 0.0862 0.1493 0.1544 ( 5170 PWs) bands (ev): -14.9453 -14.9453 -14.9453 -14.9453 -14.9196 -14.9196 -14.9196 -14.9196 -13.9321 -13.9321 -13.9321 -13.9321 -13.8945 -13.8945 -13.8944 -13.8944 -13.8790 -13.8790 -13.8790 -13.8790 -6.9049 -6.9049 -6.9048 -6.9048 -5.1799 -5.1799 -5.1798 -5.1798 1.3337 1.3337 1.3339 1.3339 4.4802 4.4802 4.5215 4.5215 4.8338 4.8338 4.8760 4.8760 5.7112 5.7112 5.7368 5.7368 5.9553 5.9553 5.9645 5.9645 6.3143 6.3143 6.3317 6.3317 9.5429 9.5429 9.5503 9.5503 11.1709 11.1709 11.2149 11.2149 11.9110 11.9110 k = 0.0805 0.1394 0.1544 ( 5170 PWs) bands (ev): -14.9455 -14.9455 -14.9455 -14.9455 -14.9194 -14.9194 -14.9194 -14.9194 -13.9323 -13.9323 -13.9322 -13.9322 -13.8938 -13.8938 -13.8938 -13.8938 -13.8795 -13.8795 -13.8795 -13.8795 -6.9364 -6.9364 -6.9364 -6.9364 -5.2019 -5.2019 -5.2018 -5.2018 1.3454 1.3454 1.3456 1.3456 4.5843 4.5843 4.6212 4.6212 4.9472 4.9472 4.9860 4.9860 5.7365 5.7365 5.7578 5.7578 5.9838 5.9838 5.9919 5.9919 6.3198 6.3198 6.3358 6.3358 9.5392 9.5392 9.5460 9.5460 11.0983 11.0983 11.1339 11.1339 11.8751 11.8751 k = 0.0747 0.1294 0.1544 ( 5170 PWs) bands (ev): -14.9458 -14.9458 -14.9457 -14.9457 -14.9193 -14.9193 -14.9193 -14.9193 -13.9324 -13.9324 -13.9324 -13.9324 -13.8932 -13.8932 -13.8932 -13.8932 -13.8801 -13.8801 -13.8800 -13.8800 -6.9659 -6.9659 -6.9659 -6.9659 -5.2227 -5.2227 -5.2226 -5.2226 1.3550 1.3550 1.3551 1.3551 4.6880 4.6880 4.7210 4.7210 5.0594 5.0594 5.0955 5.0955 5.7584 5.7584 5.7749 5.7749 6.0113 6.0113 6.0186 6.0186 6.3256 6.3256 6.3403 6.3403 9.5302 9.5302 9.5363 9.5363 11.0227 11.0227 11.0510 11.0510 11.8433 11.8433 k = 0.0690 0.1195 0.1544 ( 5178 PWs) bands (ev): -14.9460 -14.9460 -14.9460 -14.9460 -14.9191 -14.9191 -14.9191 -14.9191 -13.9326 -13.9326 -13.9326 -13.9326 -13.8926 -13.8926 -13.8926 -13.8926 -13.8805 -13.8805 -13.8805 -13.8805 -6.9933 -6.9933 -6.9932 -6.9932 -5.2422 -5.2422 -5.2422 -5.2422 1.3627 1.3627 1.3628 1.3628 4.7908 4.7908 4.8201 4.8201 5.1693 5.1693 5.2033 5.2033 5.7772 5.7772 5.7888 5.7888 6.0378 6.0378 6.0449 6.0449 6.3313 6.3313 6.3446 6.3446 9.5159 9.5159 9.5212 9.5212 10.9445 10.9445 10.9667 10.9667 11.8160 11.8160 k = 0.0632 0.1095 0.1544 ( 5172 PWs) bands (ev): -14.9462 -14.9462 -14.9462 -14.9462 -14.9190 -14.9190 -14.9190 -14.9190 -13.9329 -13.9329 -13.9329 -13.9329 -13.8920 -13.8920 -13.8920 -13.8920 -13.8810 -13.8810 -13.8810 -13.8810 -7.0185 -7.0185 -7.0185 -7.0185 -5.2604 -5.2604 -5.2604 -5.2604 1.3688 1.3688 1.3688 1.3688 4.8918 4.8918 4.9178 4.9178 5.2757 5.2757 5.3083 5.3083 5.7929 5.7929 5.8008 5.8008 6.0634 6.0634 6.0713 6.0713 6.3363 6.3363 6.3485 6.3485 9.4964 9.4964 9.5009 9.5009 10.8646 10.8646 10.8816 10.8816 11.7932 11.7932 k = 0.0575 0.0995 0.1544 ( 5180 PWs) bands (ev): -14.9464 -14.9464 -14.9464 -14.9464 -14.9188 -14.9188 -14.9188 -14.9188 -13.9331 -13.9331 -13.9331 -13.9331 -13.8914 -13.8914 -13.8914 -13.8914 -13.8814 -13.8814 -13.8814 -13.8814 -7.0416 -7.0416 -7.0416 -7.0416 -5.2773 -5.2773 -5.2773 -5.2773 1.3735 1.3735 1.3735 1.3735 4.9901 4.9901 5.0129 5.0129 5.3771 5.3771 5.4092 5.4092 5.8048 5.8048 5.8130 5.8130 6.0885 6.0885 6.0977 6.0977 6.3402 6.3402 6.3513 6.3513 9.4721 9.4721 9.4757 9.4757 10.7839 10.7839 10.7966 10.7966 11.7744 11.7744 k = 0.0517 0.0896 0.1544 ( 5176 PWs) bands (ev): -14.9466 -14.9466 -14.9466 -14.9466 -14.9187 -14.9187 -14.9187 -14.9187 -13.9333 -13.9333 -13.9333 -13.9333 -13.8908 -13.8908 -13.8908 -13.8908 -13.8817 -13.8817 -13.8817 -13.8817 -7.0626 -7.0626 -7.0626 -7.0626 -5.2927 -5.2927 -5.2927 -5.2927 1.3771 1.3771 1.3772 1.3772 5.0847 5.0847 5.1044 5.1044 5.4720 5.4720 5.5045 5.5045 5.8137 5.8137 5.8264 5.8264 6.1136 6.1136 6.1241 6.1241 6.3426 6.3426 6.3527 6.3527 9.4436 9.4436 9.4464 9.4464 10.7035 10.7035 10.7128 10.7128 11.7592 11.7592 k = 0.0460 0.0796 0.1544 ( 5174 PWs) bands (ev): -14.9467 -14.9467 -14.9467 -14.9467 -14.9186 -14.9186 -14.9186 -14.9186 -13.9336 -13.9336 -13.9336 -13.9336 -13.8903 -13.8903 -13.8903 -13.8903 -13.8820 -13.8820 -13.8820 -13.8820 -7.0814 -7.0814 -7.0814 -7.0814 -5.3066 -5.3066 -5.3066 -5.3066 1.3798 1.3798 1.3799 1.3799 5.1744 5.1744 5.1910 5.1910 5.5586 5.5586 5.5923 5.5923 5.8219 5.8219 5.8406 5.8406 6.1389 6.1389 6.1505 6.1505 6.3432 6.3432 6.3525 6.3525 9.4122 9.4122 9.4142 9.4142 10.6250 10.6250 10.6315 10.6315 11.7469 11.7469 k = 0.0402 0.0697 0.1544 ( 5166 PWs) bands (ev): -14.9469 -14.9469 -14.9469 -14.9469 -14.9185 -14.9185 -14.9185 -14.9185 -13.9338 -13.9338 -13.9338 -13.9338 -13.8898 -13.8898 -13.8898 -13.8898 -13.8823 -13.8823 -13.8823 -13.8823 -7.0980 -7.0980 -7.0980 -7.0980 -5.3190 -5.3190 -5.3190 -5.3190 1.3818 1.3818 1.3818 1.3818 5.2576 5.2576 5.2713 5.2713 5.6351 5.6351 5.6706 5.6706 5.8314 5.8314 5.8562 5.8562 6.1648 6.1648 6.1769 6.1769 6.3418 6.3418 6.3504 6.3504 9.3789 9.3789 9.3804 9.3804 10.5499 10.5499 10.5542 10.5542 11.7366 11.7366 k = 0.0345 0.0597 0.1544 ( 5166 PWs) bands (ev): -14.9470 -14.9470 -14.9470 -14.9470 -14.9184 -14.9184 -14.9184 -14.9184 -13.9340 -13.9340 -13.9340 -13.9340 -13.8894 -13.8894 -13.8894 -13.8894 -13.8825 -13.8825 -13.8825 -13.8825 -7.1124 -7.1124 -7.1124 -7.1124 -5.3299 -5.3299 -5.3298 -5.3298 1.3832 1.3832 1.3832 1.3832 5.3329 5.3329 5.3435 5.3435 5.6997 5.6997 5.7357 5.7357 5.8451 5.8451 5.8741 5.8741 6.1912 6.1912 6.2030 6.2030 6.3385 6.3385 6.3464 6.3464 9.3455 9.3455 9.3464 9.3464 10.4799 10.4799 10.4826 10.4826 11.7279 11.7279 k = 0.0287 0.0498 0.1544 ( 5166 PWs) bands (ev): -14.9472 -14.9472 -14.9472 -14.9472 -14.9183 -14.9183 -14.9183 -14.9183 -13.9342 -13.9342 -13.9342 -13.9342 -13.8890 -13.8890 -13.8890 -13.8890 -13.8827 -13.8827 -13.8827 -13.8827 -7.1246 -7.1246 -7.1246 -7.1246 -5.3391 -5.3391 -5.3391 -5.3391 1.3842 1.3842 1.3842 1.3842 5.3987 5.3987 5.4062 5.4062 5.7513 5.7513 5.7828 5.7828 5.8674 5.8674 5.8947 5.8947 6.2174 6.2174 6.2281 6.2281 6.3337 6.3337 6.3409 6.3409 9.3134 9.3134 9.3139 9.3139 10.4167 10.4167 10.4184 10.4184 11.7202 11.7202 k = 0.0230 0.0398 0.1544 ( 5166 PWs) bands (ev): -14.9473 -14.9473 -14.9473 -14.9473 -14.9183 -14.9183 -14.9183 -14.9183 -13.9344 -13.9344 -13.9344 -13.9344 -13.8887 -13.8887 -13.8887 -13.8887 -13.8829 -13.8829 -13.8829 -13.8829 -7.1347 -7.1347 -7.1346 -7.1346 -5.3466 -5.3466 -5.3466 -5.3466 1.3848 1.3848 1.3848 1.3848 5.4533 5.4533 5.4580 5.4580 5.7905 5.7905 5.8112 5.8112 5.8986 5.8986 5.9171 5.9171 6.2419 6.2419 6.2506 6.2506 6.3285 6.3285 6.3346 6.3346 9.2843 9.2843 9.2846 9.2846 10.3622 10.3622 10.3631 10.3631 11.7135 11.7135 k = 0.0172 0.0299 0.1544 ( 5170 PWs) bands (ev): -14.9474 -14.9474 -14.9474 -14.9474 -14.9182 -14.9182 -14.9182 -14.9182 -13.9345 -13.9345 -13.9345 -13.9345 -13.8885 -13.8885 -13.8885 -13.8885 -13.8830 -13.8830 -13.8830 -13.8830 -7.1424 -7.1424 -7.1424 -7.1424 -5.3526 -5.3526 -5.3526 -5.3526 1.3852 1.3852 1.3852 1.3852 5.4957 5.4957 5.4981 5.4981 5.8188 5.8188 5.8287 5.8287 5.9301 5.9301 5.9391 5.9391 6.2623 6.2623 6.2680 6.2680 6.3249 6.3249 6.3292 6.3292 9.2597 9.2597 9.2599 9.2599 10.3178 10.3178 10.3182 10.3182 11.7079 11.7079 k = 0.0115 0.0199 0.1544 ( 5186 PWs) bands (ev): -14.9474 -14.9474 -14.9474 -14.9474 -14.9182 -14.9182 -14.9182 -14.9182 -13.9346 -13.9346 -13.9346 -13.9346 -13.8883 -13.8883 -13.8883 -13.8883 -13.8831 -13.8831 -13.8831 -13.8831 -7.1480 -7.1480 -7.1480 -7.1480 -5.3568 -5.3568 -5.3568 -5.3568 1.3854 1.3854 1.3854 1.3854 5.5254 5.5254 5.5264 5.5264 5.8380 5.8380 5.8411 5.8411 5.9549 5.9549 5.9578 5.9578 6.2752 6.2752 6.2776 6.2776 6.3251 6.3251 6.3269 6.3269 9.2411 9.2411 9.2412 9.2412 10.2850 10.2850 10.2852 10.2852 11.7035 11.7035 k = 0.0057 0.0100 0.1544 ( 5186 PWs) bands (ev): -14.9474 -14.9474 -14.9474 -14.9474 -14.9182 -14.9182 -14.9182 -14.9182 -13.9346 -13.9346 -13.9346 -13.9346 -13.8882 -13.8882 -13.8882 -13.8882 -13.8832 -13.8832 -13.8832 -13.8832 -7.1514 -7.1514 -7.1514 -7.1514 -5.3594 -5.3594 -5.3594 -5.3594 1.3856 1.3856 1.3856 1.3856 5.5428 5.5428 5.5431 5.5431 5.8489 5.8489 5.8494 5.8494 5.9703 5.9703 5.9707 5.9707 6.2800 6.2800 6.2804 6.2804 6.3280 6.3280 6.3283 6.3283 9.2295 9.2295 9.2295 9.2295 10.2648 10.2648 10.2649 10.2649 11.7008 11.7008 k = 0.0000 0.0000 0.1544 ( 5198 PWs) bands (ev): -14.9475 -14.9475 -14.9475 -14.9475 -14.9181 -14.9181 -14.9181 -14.9181 -13.9346 -13.9346 -13.9346 -13.9346 -13.8881 -13.8881 -13.8881 -13.8881 -13.8832 -13.8832 -13.8832 -13.8832 -7.1525 -7.1525 -7.1525 -7.1525 -5.3602 -5.3602 -5.3602 -5.3602 1.3856 1.3856 1.3856 1.3856 5.5486 5.5486 5.5486 5.5486 5.8524 5.8524 5.8524 5.8524 5.9754 5.9754 5.9754 5.9754 6.2808 6.2808 6.2808 6.2808 6.3296 6.3296 6.3296 6.3296 9.2255 9.2255 9.2255 9.2255 10.2581 10.2581 10.2581 10.2581 11.6998 11.6998 k = 0.5000 0.2887 0.1544 ( 5168 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9500 -13.9500 -13.8973 -13.8973 -13.8973 -13.8973 -13.8501 -13.8501 -13.8501 -13.8501 -5.2669 -5.2669 -5.2669 -5.2669 -4.6811 -4.6811 -4.6811 -4.6811 -0.3466 -0.3466 -0.3466 -0.3466 1.9435 1.9435 1.9435 1.9435 4.0979 4.0979 4.0979 4.0979 4.3282 4.3282 4.3282 4.3282 5.7454 5.7454 5.7454 5.7454 6.1193 6.1193 6.1193 6.1193 8.1242 8.1242 8.1242 8.1242 11.1200 11.1200 11.1200 11.1200 12.4945 12.4945 k = 0.5000 0.2887 0.1434 ( 5170 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9500 -13.9500 -13.8973 -13.8973 -13.8973 -13.8973 -13.8501 -13.8501 -13.8501 -13.8501 -5.2719 -5.2719 -5.2617 -5.2617 -4.6873 -4.6873 -4.6750 -4.6750 -0.3504 -0.3504 -0.3428 -0.3428 1.9329 1.9329 1.9550 1.9550 4.0891 4.0891 4.1060 4.1060 4.3075 4.3075 4.3470 4.3470 5.7133 5.7133 5.7816 5.7816 6.1000 6.1000 6.1385 6.1385 8.0982 8.0982 8.1472 8.1472 11.1050 11.1050 11.1367 11.1367 12.4584 12.4584 k = 0.5000 0.2887 0.1324 ( 5164 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9500 -13.9500 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.2768 -5.2768 -5.2565 -5.2565 -4.6936 -4.6936 -4.6690 -4.6690 -0.3543 -0.3543 -0.3392 -0.3392 1.9231 1.9231 1.9671 1.9671 4.0799 4.0799 4.1134 4.1134 4.2859 4.2859 4.3633 4.3633 5.6858 5.6858 5.8209 5.8209 6.0809 6.0809 6.1574 6.1574 8.0697 8.0697 8.1669 8.1669 11.0917 11.0917 11.1551 11.1551 12.4246 12.4246 k = 0.5000 0.2887 0.1213 ( 5166 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9500 -13.9500 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.2815 -5.2815 -5.2513 -5.2513 -4.6997 -4.6997 -4.6633 -4.6633 -0.3582 -0.3582 -0.3358 -0.3358 1.9144 1.9144 1.9797 1.9797 4.0705 4.0705 4.1194 4.1194 4.2646 4.2646 4.3765 4.3765 5.6634 5.6634 5.8624 5.8624 6.0623 6.0623 6.1759 6.1759 8.0393 8.0393 8.1830 8.1830 11.0798 11.0798 11.1751 11.1751 12.3948 12.3948 k = 0.5000 0.2887 0.1103 ( 5164 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9500 -13.9500 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.2860 -5.2860 -5.2462 -5.2462 -4.7058 -4.7058 -4.6579 -4.6579 -0.3620 -0.3620 -0.3327 -0.3327 1.9067 1.9067 1.9926 1.9926 4.0608 4.0608 4.1235 4.1235 4.2449 4.2449 4.3863 4.3863 5.6463 5.6463 5.9051 5.9051 6.0445 6.0445 6.1937 6.1937 8.0076 8.0076 8.1957 8.1957 11.0692 11.0692 11.1965 11.1965 12.3700 12.3700 k = 0.5000 0.2887 0.0993 ( 5152 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9500 -13.9500 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.2901 -5.2901 -5.2413 -5.2413 -4.7116 -4.7116 -4.6528 -4.6528 -0.3657 -0.3657 -0.3298 -0.3298 1.9000 1.9000 2.0055 2.0055 4.0508 4.0508 4.1249 4.1249 4.2283 4.2283 4.3927 4.3927 5.6345 5.6345 5.9478 5.9478 6.0278 6.0278 6.2105 6.2105 7.9753 7.9753 8.2049 8.2049 11.0597 11.0597 11.2188 11.2188 12.3511 12.3511 k = 0.5000 0.2887 0.0882 ( 5148 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.2939 -5.2939 -5.2366 -5.2366 -4.7171 -4.7171 -4.6481 -4.6481 -0.3692 -0.3692 -0.3271 -0.3271 1.8942 1.8942 2.0181 2.0181 4.0407 4.0407 4.1226 4.1226 4.2163 4.2163 4.3958 4.3958 5.6276 5.6276 5.9875 5.9875 6.0145 6.0145 6.2262 6.2262 7.9432 7.9432 8.2110 8.2110 11.0511 11.0511 11.2417 11.2417 12.3384 12.3384 k = 0.5000 0.2887 0.0772 ( 5146 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9193 -14.9193 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.2974 -5.2974 -5.2323 -5.2323 -4.7222 -4.7222 -4.6438 -4.6438 -0.3725 -0.3725 -0.3248 -0.3248 1.8895 1.8895 2.0302 2.0302 4.0305 4.0305 4.1169 4.1169 4.2092 4.2092 4.3963 4.3963 5.6247 5.6247 5.9937 5.9937 6.0340 6.0340 6.2406 6.2406 7.9122 7.9122 8.2143 8.2143 11.0432 11.0432 11.2646 11.2646 12.3317 12.3317 k = 0.5000 0.2887 0.0662 ( 5136 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3004 -5.3004 -5.2283 -5.2283 -4.7269 -4.7269 -4.6401 -4.6401 -0.3755 -0.3755 -0.3228 -0.3228 1.8856 1.8856 2.0415 2.0415 4.0203 4.0203 4.1090 4.1090 4.2063 4.2063 4.3946 4.3946 5.6252 5.6252 5.9818 5.9818 6.0703 6.0703 6.2536 6.2536 7.8832 7.8832 8.2153 8.2153 11.0361 11.0361 11.2867 11.2867 12.3307 12.3307 k = 0.5000 0.2887 0.0552 ( 5132 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3030 -5.3030 -5.2248 -5.2248 -4.7309 -4.7309 -4.6368 -4.6368 -0.3780 -0.3780 -0.3210 -0.3210 1.8825 1.8825 2.0517 2.0517 4.0105 4.0105 4.1006 4.1006 4.2058 4.2058 4.3916 4.3916 5.6280 5.6280 5.9707 5.9707 6.1037 6.1037 6.2649 6.2649 7.8568 7.8568 8.2146 8.2146 11.0297 11.0297 11.3075 11.3075 12.3342 12.3342 k = 0.5000 0.2887 0.0441 ( 5118 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3052 -5.3052 -5.2219 -5.2219 -4.7344 -4.7344 -4.6341 -4.6341 -0.3802 -0.3802 -0.3196 -0.3196 1.8801 1.8801 2.0604 2.0604 4.0015 4.0015 4.0930 4.0930 4.2065 4.2065 4.3880 4.3880 5.6320 5.6320 5.9612 5.9612 6.1326 6.1326 6.2745 6.2745 7.8340 7.8340 8.2130 8.2130 11.0242 11.0242 11.3259 11.3259 12.3409 12.3409 k = 0.5000 0.2887 0.0331 ( 5126 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3069 -5.3069 -5.2195 -5.2195 -4.7372 -4.7372 -4.6320 -4.6320 -0.3820 -0.3820 -0.3185 -0.3185 1.8783 1.8783 2.0675 2.0675 3.9937 3.9937 4.0869 4.0869 4.2077 4.2077 4.3844 4.3844 5.6363 5.6363 5.9537 5.9537 6.1558 6.1558 6.2822 6.2822 7.8154 7.8154 8.2109 8.2109 11.0197 11.0197 11.3413 11.3413 12.3489 12.3489 k = 0.5000 0.2887 0.0221 ( 5126 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3081 -5.3081 -5.2178 -5.2178 -4.7392 -4.7392 -4.6305 -4.6305 -0.3833 -0.3833 -0.3178 -0.3178 1.8771 1.8771 2.0728 2.0728 3.9878 3.9878 4.0824 4.0824 4.2087 4.2087 4.3815 4.3815 5.6401 5.6401 5.9482 5.9482 6.1729 6.1729 6.2879 6.2879 7.8017 7.8017 8.2089 8.2089 11.0163 11.0163 11.3529 11.3529 12.3564 12.3564 k = 0.5000 0.2887 0.0110 ( 5110 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3089 -5.3089 -5.2167 -5.2167 -4.7404 -4.7404 -4.6295 -4.6295 -0.3840 -0.3840 -0.3173 -0.3173 1.8765 1.8765 2.0760 2.0760 3.9841 3.9841 4.0797 4.0797 4.2094 4.2094 4.3795 4.3795 5.6426 5.6426 5.9449 5.9449 6.1834 6.1834 6.2914 6.2914 7.7933 7.7933 8.2076 8.2076 11.0142 11.0142 11.3602 11.3602 12.3618 12.3618 k = 0.5000 0.2887-0.0000 ( 5106 PWs) bands (ev): -14.9483 -14.9483 -14.9483 -14.9483 -14.9194 -14.9194 -14.9193 -14.9193 -13.9500 -13.9500 -13.9499 -13.9499 -13.8973 -13.8973 -13.8972 -13.8972 -13.8501 -13.8501 -13.8501 -13.8501 -5.3091 -5.3091 -5.2163 -5.2163 -4.7408 -4.7408 -4.6292 -4.6292 -0.3843 -0.3843 -0.3171 -0.3171 1.8762 1.8762 2.0770 2.0770 3.9829 3.9829 4.0788 4.0788 4.2096 4.2096 4.3788 4.3788 5.6435 5.6435 5.9437 5.9437 6.1869 6.1869 6.2926 6.2926 7.7904 7.7904 8.2071 8.2071 11.0136 11.0136 11.3626 11.3626 12.3637 12.3637 k = 0.3333 0.5774-0.0000 ( 5148 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7537 -4.7537 -4.7453 -4.7448 -4.7277 -4.7277 -4.7269 -4.7269 -0.5473 -0.5469 -0.5469 -0.5464 2.5043 2.5043 2.5804 2.6737 2.7001 2.7001 3.0160 3.0160 3.2129 3.2903 3.2903 3.3260 5.1787 5.1787 5.6251 5.6251 5.6337 5.6356 6.2217 6.2217 9.1899 9.1949 9.1949 9.2028 11.9014 11.9014 12.1855 12.3704 12.4618 12.4618 k = 0.3333 0.5774 0.0110 ( 5145 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7536 -4.7536 -4.7453 -4.7448 -4.7277 -4.7277 -4.7269 -4.7269 -0.5473 -0.5469 -0.5469 -0.5464 2.5055 2.5055 2.5813 2.6743 2.7010 2.7010 3.0139 3.0139 3.2119 3.2889 3.2889 3.3245 5.1823 5.1823 5.6262 5.6262 5.6348 5.6366 6.2184 6.2184 9.1883 9.1932 9.1932 9.2010 11.9058 11.9058 12.1884 12.3723 12.4643 12.4643 k = 0.3333 0.5774 0.0221 ( 5139 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7535 -4.7535 -4.7453 -4.7448 -4.7279 -4.7279 -4.7269 -4.7269 -0.5473 -0.5469 -0.5469 -0.5465 2.5091 2.5091 2.5841 2.6762 2.7037 2.7037 3.0077 3.0077 3.2088 3.2846 3.2846 3.3201 5.1930 5.1930 5.6293 5.6293 5.6380 5.6397 6.2087 6.2087 9.1834 9.1885 9.1885 9.1957 11.9190 11.9190 12.1970 12.3780 12.4714 12.4714 k = 0.3333 0.5774 0.0331 ( 5136 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7533 -4.7533 -4.7453 -4.7448 -4.7281 -4.7281 -4.7269 -4.7269 -0.5474 -0.5470 -0.5470 -0.5466 2.5151 2.5151 2.5886 2.6792 2.7081 2.7081 2.9975 2.9975 3.2038 3.2778 3.2778 3.3129 5.2106 5.2106 5.6343 5.6343 5.6431 5.6447 6.1926 6.1926 9.1756 9.1808 9.1808 9.1872 11.9409 11.9409 12.2109 12.3870 12.4829 12.4829 k = 0.3333 0.5774 0.0441 ( 5130 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7530 -4.7530 -4.7453 -4.7448 -4.7283 -4.7283 -4.7269 -4.7269 -0.5474 -0.5470 -0.5470 -0.5467 2.5235 2.5235 2.5949 2.6832 2.7141 2.7141 2.9836 2.9836 3.1972 3.2685 3.2685 3.3032 5.2347 5.2347 5.6410 5.6410 5.6500 5.6513 6.1704 6.1704 9.1652 9.1707 9.1707 9.1760 11.9711 11.9711 12.2295 12.3988 12.4982 12.4982 k = 0.3333 0.5774 0.0552 ( 5136 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7527 -4.7527 -4.7453 -4.7448 -4.7287 -4.7287 -4.7269 -4.7269 -0.5475 -0.5471 -0.5471 -0.5468 2.5341 2.5341 2.6026 2.6879 2.7215 2.7215 2.9665 2.9665 3.1894 3.2572 3.2572 3.2912 5.2649 5.2649 5.6489 5.6489 5.6582 5.6593 6.1424 6.1424 9.1529 9.1586 9.1586 9.1627 12.0092 12.0092 12.2522 12.4126 12.5166 12.5166 k = 0.3333 0.5774 0.0662 ( 5133 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7523 -4.7523 -4.7452 -4.7448 -4.7291 -4.7291 -4.7269 -4.7269 -0.5476 -0.5472 -0.5472 -0.5469 2.5469 2.5469 2.6118 2.6930 2.7302 2.7302 2.9465 2.9465 3.1809 3.2442 3.2442 3.2773 5.3006 5.3006 5.6578 5.6578 5.6673 5.6682 6.1091 6.1091 9.1392 9.1452 9.1452 9.1478 12.0548 12.0548 12.2779 12.4275 12.5372 12.5372 k = 0.3333 0.5774 0.0772 ( 5142 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7519 -4.7519 -4.7452 -4.7448 -4.7295 -4.7295 -4.7269 -4.7269 -0.5477 -0.5473 -0.5473 -0.5470 2.5618 2.5618 2.6221 2.6982 2.7397 2.7397 2.9242 2.9242 3.1723 3.2302 3.2302 3.2620 5.3413 5.3413 5.6672 5.6672 5.6768 5.6775 6.0708 6.0708 9.1248 9.1311 9.1311 9.1323 12.1072 12.1072 12.3057 12.4425 12.5589 12.5589 k = 0.3333 0.5774 0.0882 ( 5142 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9289 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7515 -4.7515 -4.7452 -4.7449 -4.7299 -4.7299 -4.7269 -4.7269 -0.5477 -0.5474 -0.5474 -0.5472 2.5785 2.5785 2.6333 2.7029 2.7497 2.7497 2.9002 2.9002 3.1642 3.2157 3.2157 3.2457 5.3863 5.3863 5.6765 5.6765 5.6864 5.6869 6.0281 6.0281 9.1105 9.1169 9.1171 9.1171 12.1658 12.1658 12.3346 12.4565 12.5808 12.5808 k = 0.3333 0.5774 0.0993 ( 5142 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9290 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7510 -4.7510 -4.7452 -4.7449 -4.7304 -4.7304 -4.7269 -4.7269 -0.5478 -0.5476 -0.5476 -0.5473 2.5969 2.5969 2.6451 2.7068 2.7598 2.7598 2.8750 2.8750 3.1573 3.2015 3.2015 3.2291 5.4350 5.4350 5.6854 5.6854 5.6955 5.6958 5.9815 5.9815 9.0971 9.1023 9.1038 9.1038 12.2297 12.2297 12.3633 12.4685 12.6017 12.6017 k = 0.3333 0.5774 0.1103 ( 5136 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9290 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7506 -4.7506 -4.7451 -4.7449 -4.7308 -4.7308 -4.7269 -4.7269 -0.5478 -0.5476 -0.5476 -0.5475 2.6166 2.6166 2.6571 2.7092 2.7694 2.7694 2.8493 2.8493 3.1523 3.1881 3.1881 3.2126 5.4867 5.4867 5.6934 5.6934 5.7036 5.7038 5.9317 5.9317 9.0851 9.0892 9.0920 9.0920 12.2979 12.2979 12.3908 12.4775 12.6205 12.6205 k = 0.3333 0.5774 0.1213 ( 5130 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9290 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9168 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7503 -4.7503 -4.7451 -4.7449 -4.7311 -4.7311 -4.7269 -4.7269 -0.5479 -0.5477 -0.5477 -0.5476 2.6369 2.6369 2.6689 2.7098 2.7777 2.7777 2.8241 2.8241 3.1498 3.1765 3.1765 3.1969 5.5407 5.5407 5.7001 5.7001 5.7104 5.7105 5.8792 5.8792 9.0752 9.0782 9.0821 9.0821 12.3686 12.3686 12.4162 12.4828 12.6364 12.6364 k = 0.3333 0.5774 0.1324 ( 5118 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9290 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9167 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7500 -4.7500 -4.7451 -4.7450 -4.7314 -4.7314 -4.7269 -4.7269 -0.5479 -0.5478 -0.5478 -0.5477 2.6567 2.6567 2.6800 2.7082 2.7836 2.7836 2.8014 2.8014 3.1502 3.1675 3.1675 3.1827 5.5963 5.5963 5.7051 5.7051 5.7155 5.7155 5.8247 5.8247 9.0679 9.0699 9.0747 9.0747 12.4384 12.4390 12.4390 12.4836 12.6485 12.6485 k = 0.3333 0.5774 0.1434 ( 5100 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9290 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9167 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7498 -4.7498 -4.7450 -4.7450 -4.7316 -4.7316 -4.7269 -4.7269 -0.5479 -0.5478 -0.5478 -0.5478 2.6731 2.6731 2.6899 2.7043 2.7792 2.7792 2.7914 2.7914 3.1539 3.1618 3.1618 3.1704 5.6526 5.6526 5.7083 5.7083 5.7187 5.7187 5.7691 5.7691 9.0636 9.0645 9.0701 9.0701 12.4567 12.4796 12.5011 12.5011 12.6563 12.6563 k = 0.3333 0.5774 0.1544 ( 5100 PWs) bands (ev): -14.9354 -14.9354 -14.9353 -14.9353 -14.9290 -14.9290 -14.9290 -14.9290 -13.9269 -13.9269 -13.9268 -13.9268 -13.9168 -13.9168 -13.9167 -13.9167 -13.8586 -13.8586 -13.8586 -13.8586 -4.7498 -4.7498 -4.7450 -4.7450 -4.7317 -4.7317 -4.7269 -4.7269 -0.5478 -0.5478 -0.5478 -0.5478 2.6801 2.6801 2.6981 2.6981 2.7724 2.7724 2.7920 2.7920 3.1598 3.1598 3.1607 3.1607 5.6988 5.6988 5.7109 5.7109 5.7197 5.7197 5.7215 5.7215 9.0624 9.0624 9.0686 9.0686 12.4706 12.4706 12.5305 12.5305 12.6593 12.6593 Writing output data file SnS2.save init_run : 4.53s CPU 13.92s WALL ( 1 calls) electrons : 1000.01s CPU 1009.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 999.98s CPU 1008.79s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.84s WALL ( 1 calls) v_h : 0.08s CPU 0.09s WALL ( 1 calls) v_xc : 0.10s CPU 0.58s WALL ( 1 calls) newd : 0.66s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 325 calls) cegterg : 909.65s CPU 915.01s WALL ( 842 calls) Called by sum_band: Called by *egterg: h_psi : 335.70s CPU 344.89s WALL ( 14582 calls) s_psi : 57.76s CPU 58.09s WALL ( 14582 calls) g_psi : 0.83s CPU 0.92s WALL ( 13415 calls) cdiaghg : 381.25s CPU 377.99s WALL ( 13740 calls) cegterg:over : 78.19s CPU 75.59s WALL ( 13415 calls) cegterg:upda : 18.52s CPU 22.42s WALL ( 13415 calls) cegterg:last : 13.74s CPU 14.40s WALL ( 1817 calls) Called by h_psi: h_psi:vloc : 227.57s CPU 234.47s WALL ( 14582 calls) h_psi:vnl : 107.74s CPU 109.34s WALL ( 14582 calls) add_vuspsi : 41.65s CPU 46.24s WALL ( 14582 calls) General routines calbec : 66.04s CPU 62.91s WALL ( 14582 calls) fft : 0.51s CPU 1.31s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 214.57s CPU 220.80s WALL ( 1385224 calls) interpolate : 0.13s CPU 0.15s WALL ( 4 calls) davcio : 0.04s CPU 3.60s WALL ( 650 calls) Parallel routines fft_scatter : 156.02s CPU 160.31s WALL ( 1385247 calls) PWSCF : 18m13.86s CPU 24m17.09s WALL This run was terminated on: 6:53:42 29Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=