Program PWSCF v.5.1.1 starts on 26Jun2015 at 23:10:10 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: ./TlN.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 21 12 3 927 380 60 Max 22 13 5 938 403 68 Sum 1045 583 187 44823 18773 3069 bravais-lattice index = 14 lattice parameter (alat) = 6.8975 a.u. unit-cell volume = 461.2410 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.897500 celldm(2)= 1.000000 celldm(3)= 1.623014 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.623014 ) 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 0.616138 ) PseudoPot. # 1 for Tl read from file: /home/autes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) N 5.00 14.00670 N( 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 ) ( 0.8115068 ) 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 ) ( 0.8115068 ) 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 ) ( 0.8115068 ) 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 ) ( 0.8115068 ) 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 ) ( 0.8115068 ) 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 ) ( 0.8115068 ) 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= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027473 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027473 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027473 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027473 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027473 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027473 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027473 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027473 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027473 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027473 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027473 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027473 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027473 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027473 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027473 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027473 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027473 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027473 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027473 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0114100), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0228199), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0342299), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0456398), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0570498), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0684597), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0798697), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0912797), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1026896), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1140996), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1255095), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1369195), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.1483295), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.1597394), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1711494), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.1825593), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.1939693), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.2053792), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.2167892), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.2281992), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.2396091), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.2510191), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.2624290), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.2738390), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.2852490), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.2966589), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.3080689), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.3080689), wk = 0.0027473 k( 170) = ( 0.0100000 0.0057735 0.3080689), wk = 0.0027473 k( 171) = ( 0.0200000 0.0115470 0.3080689), wk = 0.0027473 k( 172) = ( 0.0300000 0.0173205 0.3080689), wk = 0.0027473 k( 173) = ( 0.0400000 0.0230940 0.3080689), wk = 0.0027473 k( 174) = ( 0.0500000 0.0288675 0.3080689), wk = 0.0027473 k( 175) = ( 0.0600000 0.0346410 0.3080689), wk = 0.0027473 k( 176) = ( 0.0700000 0.0404145 0.3080689), wk = 0.0027473 k( 177) = ( 0.0800000 0.0461880 0.3080689), wk = 0.0027473 k( 178) = ( 0.0900000 0.0519615 0.3080689), wk = 0.0027473 k( 179) = ( 0.1000000 0.0577350 0.3080689), wk = 0.0027473 k( 180) = ( 0.1100000 0.0635085 0.3080689), wk = 0.0027473 k( 181) = ( 0.1200000 0.0692820 0.3080689), wk = 0.0027473 k( 182) = ( 0.1300000 0.0750555 0.3080689), wk = 0.0027473 k( 183) = ( 0.1400000 0.0808290 0.3080689), wk = 0.0027473 k( 184) = ( 0.1500000 0.0866025 0.3080689), wk = 0.0027473 k( 185) = ( 0.1600000 0.0923760 0.3080689), wk = 0.0027473 k( 186) = ( 0.1700000 0.0981495 0.3080689), wk = 0.0027473 k( 187) = ( 0.1800000 0.1039230 0.3080689), wk = 0.0027473 k( 188) = ( 0.1900000 0.1096966 0.3080689), wk = 0.0027473 k( 189) = ( 0.2000000 0.1154701 0.3080689), wk = 0.0027473 k( 190) = ( 0.2100000 0.1212436 0.3080689), wk = 0.0027473 k( 191) = ( 0.2200000 0.1270171 0.3080689), wk = 0.0027473 k( 192) = ( 0.2300000 0.1327906 0.3080689), wk = 0.0027473 k( 193) = ( 0.2400000 0.1385641 0.3080689), wk = 0.0027473 k( 194) = ( 0.2500000 0.1443376 0.3080689), wk = 0.0027473 k( 195) = ( 0.2600000 0.1501111 0.3080689), wk = 0.0027473 k( 196) = ( 0.2700000 0.1558846 0.3080689), wk = 0.0027473 k( 197) = ( 0.2800000 0.1616581 0.3080689), wk = 0.0027473 k( 198) = ( 0.2900000 0.1674316 0.3080689), wk = 0.0027473 k( 199) = ( 0.3000000 0.1732051 0.3080689), wk = 0.0027473 k( 200) = ( 0.3100000 0.1789786 0.3080689), wk = 0.0027473 k( 201) = ( 0.3200000 0.1847521 0.3080689), wk = 0.0027473 k( 202) = ( 0.3300000 0.1905256 0.3080689), wk = 0.0027473 k( 203) = ( 0.3400000 0.1962991 0.3080689), wk = 0.0027473 k( 204) = ( 0.3500000 0.2020726 0.3080689), wk = 0.0027473 k( 205) = ( 0.3600000 0.2078461 0.3080689), wk = 0.0027473 k( 206) = ( 0.3700000 0.2136196 0.3080689), wk = 0.0027473 k( 207) = ( 0.3800000 0.2193931 0.3080689), wk = 0.0027473 k( 208) = ( 0.3900000 0.2251666 0.3080689), wk = 0.0027473 k( 209) = ( 0.4000000 0.2309401 0.3080689), wk = 0.0027473 k( 210) = ( 0.4100000 0.2367136 0.3080689), wk = 0.0027473 k( 211) = ( 0.4200000 0.2424871 0.3080689), wk = 0.0027473 k( 212) = ( 0.4300000 0.2482606 0.3080689), wk = 0.0027473 k( 213) = ( 0.4400000 0.2540341 0.3080689), wk = 0.0027473 k( 214) = ( 0.4500000 0.2598076 0.3080689), wk = 0.0027473 k( 215) = ( 0.4600000 0.2655811 0.3080689), wk = 0.0027473 k( 216) = ( 0.4700000 0.2713546 0.3080689), wk = 0.0027473 k( 217) = ( 0.4800000 0.2771281 0.3080689), wk = 0.0027473 k( 218) = ( 0.4900000 0.2829016 0.3080689), wk = 0.0027473 k( 219) = ( 0.5000000 0.2886751 0.3080689), wk = 0.0027473 k( 220) = ( 0.5000000 0.2886751 0.3080689), wk = 0.0027473 k( 221) = ( 0.4942529 0.2986294 0.3080689), wk = 0.0027473 k( 222) = ( 0.4885058 0.3085838 0.3080689), wk = 0.0027473 k( 223) = ( 0.4827586 0.3185381 0.3080689), wk = 0.0027473 k( 224) = ( 0.4770115 0.3284924 0.3080689), wk = 0.0027473 k( 225) = ( 0.4712644 0.3384467 0.3080689), wk = 0.0027473 k( 226) = ( 0.4655172 0.3484010 0.3080689), wk = 0.0027473 k( 227) = ( 0.4597701 0.3583553 0.3080689), wk = 0.0027473 k( 228) = ( 0.4540230 0.3683097 0.3080689), wk = 0.0027473 k( 229) = ( 0.4482759 0.3782640 0.3080689), wk = 0.0027473 k( 230) = ( 0.4425287 0.3882183 0.3080689), wk = 0.0027473 k( 231) = ( 0.4367816 0.3981726 0.3080689), wk = 0.0027473 k( 232) = ( 0.4310345 0.4081269 0.3080689), wk = 0.0027473 k( 233) = ( 0.4252874 0.4180812 0.3080689), wk = 0.0027473 k( 234) = ( 0.4195402 0.4280355 0.3080689), wk = 0.0027473 k( 235) = ( 0.4137931 0.4379899 0.3080689), wk = 0.0027473 k( 236) = ( 0.4080460 0.4479442 0.3080689), wk = 0.0027473 k( 237) = ( 0.4022988 0.4578985 0.3080689), wk = 0.0027473 k( 238) = ( 0.3965517 0.4678528 0.3080689), wk = 0.0027473 k( 239) = ( 0.3908046 0.4778071 0.3080689), wk = 0.0027473 k( 240) = ( 0.3850575 0.4877614 0.3080689), wk = 0.0027473 k( 241) = ( 0.3793103 0.4977157 0.3080689), wk = 0.0027473 k( 242) = ( 0.3735632 0.5076701 0.3080689), wk = 0.0027473 k( 243) = ( 0.3678161 0.5176244 0.3080689), wk = 0.0027473 k( 244) = ( 0.3620690 0.5275787 0.3080689), wk = 0.0027473 k( 245) = ( 0.3563218 0.5375330 0.3080689), wk = 0.0027473 k( 246) = ( 0.3505747 0.5474873 0.3080689), wk = 0.0027473 k( 247) = ( 0.3448276 0.5574416 0.3080689), wk = 0.0027473 k( 248) = ( 0.3390805 0.5673960 0.3080689), wk = 0.0027473 k( 249) = ( 0.3333333 0.5773503 0.3080689), wk = 0.0027473 k( 250) = ( 0.3333333 0.5773503 0.3080689), wk = 0.0027473 k( 251) = ( 0.3275862 0.5673960 0.3080689), wk = 0.0027473 k( 252) = ( 0.3218391 0.5574416 0.3080689), wk = 0.0027473 k( 253) = ( 0.3160920 0.5474873 0.3080689), wk = 0.0027473 k( 254) = ( 0.3103448 0.5375330 0.3080689), wk = 0.0027473 k( 255) = ( 0.3045977 0.5275787 0.3080689), wk = 0.0027473 k( 256) = ( 0.2988506 0.5176244 0.3080689), wk = 0.0027473 k( 257) = ( 0.2931034 0.5076701 0.3080689), wk = 0.0027473 k( 258) = ( 0.2873563 0.4977157 0.3080689), wk = 0.0027473 k( 259) = ( 0.2816092 0.4877614 0.3080689), wk = 0.0027473 k( 260) = ( 0.2758621 0.4778071 0.3080689), wk = 0.0027473 k( 261) = ( 0.2701149 0.4678528 0.3080689), wk = 0.0027473 k( 262) = ( 0.2643678 0.4578985 0.3080689), wk = 0.0027473 k( 263) = ( 0.2586207 0.4479442 0.3080689), wk = 0.0027473 k( 264) = ( 0.2528736 0.4379899 0.3080689), wk = 0.0027473 k( 265) = ( 0.2471264 0.4280355 0.3080689), wk = 0.0027473 k( 266) = ( 0.2413793 0.4180812 0.3080689), wk = 0.0027473 k( 267) = ( 0.2356322 0.4081269 0.3080689), wk = 0.0027473 k( 268) = ( 0.2298851 0.3981726 0.3080689), wk = 0.0027473 k( 269) = ( 0.2241379 0.3882183 0.3080689), wk = 0.0027473 k( 270) = ( 0.2183908 0.3782640 0.3080689), wk = 0.0027473 k( 271) = ( 0.2126437 0.3683097 0.3080689), wk = 0.0027473 k( 272) = ( 0.2068966 0.3583553 0.3080689), wk = 0.0027473 k( 273) = ( 0.2011494 0.3484010 0.3080689), wk = 0.0027473 k( 274) = ( 0.1954023 0.3384467 0.3080689), wk = 0.0027473 k( 275) = ( 0.1896552 0.3284924 0.3080689), wk = 0.0027473 k( 276) = ( 0.1839080 0.3185381 0.3080689), wk = 0.0027473 k( 277) = ( 0.1781609 0.3085838 0.3080689), wk = 0.0027473 k( 278) = ( 0.1724138 0.2986294 0.3080689), wk = 0.0027473 k( 279) = ( 0.1666667 0.2886751 0.3080689), wk = 0.0027473 k( 280) = ( 0.1609195 0.2787208 0.3080689), wk = 0.0027473 k( 281) = ( 0.1551724 0.2687665 0.3080689), wk = 0.0027473 k( 282) = ( 0.1494253 0.2588122 0.3080689), wk = 0.0027473 k( 283) = ( 0.1436782 0.2488579 0.3080689), wk = 0.0027473 k( 284) = ( 0.1379310 0.2389036 0.3080689), wk = 0.0027473 k( 285) = ( 0.1321839 0.2289492 0.3080689), wk = 0.0027473 k( 286) = ( 0.1264368 0.2189949 0.3080689), wk = 0.0027473 k( 287) = ( 0.1206897 0.2090406 0.3080689), wk = 0.0027473 k( 288) = ( 0.1149425 0.1990863 0.3080689), wk = 0.0027473 k( 289) = ( 0.1091954 0.1891320 0.3080689), wk = 0.0027473 k( 290) = ( 0.1034483 0.1791777 0.3080689), wk = 0.0027473 k( 291) = ( 0.0977012 0.1692234 0.3080689), wk = 0.0027473 k( 292) = ( 0.0919540 0.1592690 0.3080689), wk = 0.0027473 k( 293) = ( 0.0862069 0.1493147 0.3080689), wk = 0.0027473 k( 294) = ( 0.0804598 0.1393604 0.3080689), wk = 0.0027473 k( 295) = ( 0.0747126 0.1294061 0.3080689), wk = 0.0027473 k( 296) = ( 0.0689655 0.1194518 0.3080689), wk = 0.0027473 k( 297) = ( 0.0632184 0.1094975 0.3080689), wk = 0.0027473 k( 298) = ( 0.0574713 0.0995431 0.3080689), wk = 0.0027473 k( 299) = ( 0.0517241 0.0895888 0.3080689), wk = 0.0027473 k( 300) = ( 0.0459770 0.0796345 0.3080689), wk = 0.0027473 k( 301) = ( 0.0402299 0.0696802 0.3080689), wk = 0.0027473 k( 302) = ( 0.0344828 0.0597259 0.3080689), wk = 0.0027473 k( 303) = ( 0.0287356 0.0497716 0.3080689), wk = 0.0027473 k( 304) = ( 0.0229885 0.0398173 0.3080689), wk = 0.0027473 k( 305) = ( 0.0172414 0.0298629 0.3080689), wk = 0.0027473 k( 306) = ( 0.0114942 0.0199086 0.3080689), wk = 0.0027473 k( 307) = ( 0.0057471 0.0099543 0.3080689), wk = 0.0027473 k( 308) = ( 0.0000000 0.0000000 0.3080689), wk = 0.0027473 k( 309) = ( 0.5000000 0.2886751 0.3080689), wk = 0.0027473 k( 310) = ( 0.5000000 0.2886751 0.2966589), wk = 0.0027473 k( 311) = ( 0.5000000 0.2886751 0.2852490), wk = 0.0027473 k( 312) = ( 0.5000000 0.2886751 0.2738390), wk = 0.0027473 k( 313) = ( 0.5000000 0.2886751 0.2624290), wk = 0.0027473 k( 314) = ( 0.5000000 0.2886751 0.2510191), wk = 0.0027473 k( 315) = ( 0.5000000 0.2886751 0.2396091), wk = 0.0027473 k( 316) = ( 0.5000000 0.2886751 0.2281992), wk = 0.0027473 k( 317) = ( 0.5000000 0.2886751 0.2167892), wk = 0.0027473 k( 318) = ( 0.5000000 0.2886751 0.2053792), wk = 0.0027473 k( 319) = ( 0.5000000 0.2886751 0.1939693), wk = 0.0027473 k( 320) = ( 0.5000000 0.2886751 0.1825593), wk = 0.0027473 k( 321) = ( 0.5000000 0.2886751 0.1711494), wk = 0.0027473 k( 322) = ( 0.5000000 0.2886751 0.1597394), wk = 0.0027473 k( 323) = ( 0.5000000 0.2886751 0.1483295), wk = 0.0027473 k( 324) = ( 0.5000000 0.2886751 0.1369195), wk = 0.0027473 k( 325) = ( 0.5000000 0.2886751 0.1255095), wk = 0.0027473 k( 326) = ( 0.5000000 0.2886751 0.1140996), wk = 0.0027473 k( 327) = ( 0.5000000 0.2886751 0.1026896), wk = 0.0027473 k( 328) = ( 0.5000000 0.2886751 0.0912797), wk = 0.0027473 k( 329) = ( 0.5000000 0.2886751 0.0798697), wk = 0.0027473 k( 330) = ( 0.5000000 0.2886751 0.0684597), wk = 0.0027473 k( 331) = ( 0.5000000 0.2886751 0.0570498), wk = 0.0027473 k( 332) = ( 0.5000000 0.2886751 0.0456398), wk = 0.0027473 k( 333) = ( 0.5000000 0.2886751 0.0342299), wk = 0.0027473 k( 334) = ( 0.5000000 0.2886751 0.0228199), wk = 0.0027473 k( 335) = ( 0.5000000 0.2886751 0.0114100), wk = 0.0027473 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 338) = ( 0.3333333 0.5773503 0.0114100), wk = 0.0027473 k( 339) = ( 0.3333333 0.5773503 0.0228199), wk = 0.0027473 k( 340) = ( 0.3333333 0.5773503 0.0342299), wk = 0.0027473 k( 341) = ( 0.3333333 0.5773503 0.0456398), wk = 0.0027473 k( 342) = ( 0.3333333 0.5773503 0.0570498), wk = 0.0027473 k( 343) = ( 0.3333333 0.5773503 0.0684597), wk = 0.0027473 k( 344) = ( 0.3333333 0.5773503 0.0798697), wk = 0.0027473 k( 345) = ( 0.3333333 0.5773503 0.0912797), wk = 0.0027473 k( 346) = ( 0.3333333 0.5773503 0.1026896), wk = 0.0027473 k( 347) = ( 0.3333333 0.5773503 0.1140996), wk = 0.0027473 k( 348) = ( 0.3333333 0.5773503 0.1255095), wk = 0.0027473 k( 349) = ( 0.3333333 0.5773503 0.1369195), wk = 0.0027473 k( 350) = ( 0.3333333 0.5773503 0.1483295), wk = 0.0027473 k( 351) = ( 0.3333333 0.5773503 0.1597394), wk = 0.0027473 k( 352) = ( 0.3333333 0.5773503 0.1711494), wk = 0.0027473 k( 353) = ( 0.3333333 0.5773503 0.1825593), wk = 0.0027473 k( 354) = ( 0.3333333 0.5773503 0.1939693), wk = 0.0027473 k( 355) = ( 0.3333333 0.5773503 0.2053792), wk = 0.0027473 k( 356) = ( 0.3333333 0.5773503 0.2167892), wk = 0.0027473 k( 357) = ( 0.3333333 0.5773503 0.2281992), wk = 0.0027473 k( 358) = ( 0.3333333 0.5773503 0.2396091), wk = 0.0027473 k( 359) = ( 0.3333333 0.5773503 0.2510191), wk = 0.0027473 k( 360) = ( 0.3333333 0.5773503 0.2624290), wk = 0.0027473 k( 361) = ( 0.3333333 0.5773503 0.2738390), wk = 0.0027473 k( 362) = ( 0.3333333 0.5773503 0.2852490), wk = 0.0027473 k( 363) = ( 0.3333333 0.5773503 0.2966589), wk = 0.0027473 k( 364) = ( 0.3333333 0.5773503 0.3080689), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 -0.0000000 0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 0.0000000 0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 -0.0000000 0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 -0.0000000 0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 -0.0000000 0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 0.0000000 0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 -0.0000000 0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 -0.0000000 0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 -0.0000000 0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 -0.0000000 0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 -0.0000000 0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 -0.0000000 0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027473 k( 53) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0027473 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0027473 k( 56) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0027473 k( 57) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0027473 k( 58) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0027473 k( 59) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0027473 k( 60) = ( 0.4540230 0.0919540 0.0000000), wk = 0.0027473 k( 61) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0027473 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0027473 k( 63) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0027473 k( 64) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0027473 k( 65) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0027473 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0027473 k( 67) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0027473 k( 68) = ( 0.4080460 0.1839080 0.0000000), wk = 0.0027473 k( 69) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0027473 k( 70) = ( 0.3965517 0.2068965 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0027473 k( 72) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0027473 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0027473 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0027473 k( 76) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0027473 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027473 k( 78) = ( 0.3505747 0.2988506 0.0000000), wk = 0.0027473 k( 79) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0027473 k( 80) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0027473 k( 81) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 83) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0027473 k( 84) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3160920 0.3160919 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0027473 k( 87) = ( 0.3045977 0.3045977 0.0000000), wk = 0.0027473 k( 88) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2931034 0.2931035 0.0000000), wk = 0.0027473 k( 90) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0027473 k( 91) = ( 0.2816092 0.2816092 0.0000000), wk = 0.0027473 k( 92) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0027473 k( 93) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0027473 k( 94) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0027473 k( 96) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0027473 k( 97) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0027473 k( 98) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0027473 k( 99) = ( 0.2356322 0.2356322 0.0000000), wk = 0.0027473 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0027473 k( 101) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0027473 k( 102) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0027473 k( 103) = ( 0.2126437 0.2126437 0.0000000), wk = 0.0027473 k( 104) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0027473 k( 105) = ( 0.2011494 0.2011494 0.0000000), wk = 0.0027473 k( 106) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0027473 k( 107) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0027473 k( 108) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0027473 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0027473 k( 110) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0027473 k( 111) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027473 k( 112) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0027473 k( 114) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0027473 k( 115) = ( 0.1436782 0.1436782 0.0000000), wk = 0.0027473 k( 116) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027473 k( 117) = ( 0.1321839 0.1321839 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0027473 k( 119) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0027473 k( 121) = ( 0.1091954 0.1091954 0.0000000), wk = 0.0027473 k( 122) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0027473 k( 123) = ( 0.0977012 0.0977011 0.0000000), wk = 0.0027473 k( 124) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0027473 k( 125) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0027473 k( 126) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0027473 k( 128) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0027473 k( 129) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0027473 k( 130) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0027473 k( 131) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0027473 k( 132) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0027473 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027473 k( 134) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0027473 k( 135) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0027473 k( 136) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0027473 k( 137) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0027473 k( 138) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0027473 k( 139) = ( 0.0057471 0.0057471 0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 170) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0027473 k( 173) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0027473 k( 174) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0027473 k( 175) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0027473 k( 176) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0027473 k( 177) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0027473 k( 178) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0027473 k( 179) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0027473 k( 182) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0027473 k( 183) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0027473 k( 184) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0027473 k( 185) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0027473 k( 186) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0027473 k( 187) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0027473 k( 188) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0027473 k( 189) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0027473 k( 192) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0027473 k( 193) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0027473 k( 194) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0027473 k( 195) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0027473 k( 196) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0027473 k( 197) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0027473 k( 198) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0027473 k( 199) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027473 k( 200) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0027473 k( 201) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0027473 k( 202) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0027473 k( 203) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0027473 k( 204) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0027473 k( 205) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0027473 k( 206) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0027473 k( 207) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0027473 k( 208) = ( 0.3900000 -0.0000000 0.5000000), wk = 0.0027473 k( 209) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027473 k( 210) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0027473 k( 211) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0027473 k( 212) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0027473 k( 213) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0027473 k( 214) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0027473 k( 215) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0027473 k( 216) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0027473 k( 217) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0027473 k( 218) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0027473 k( 219) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 220) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 221) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027473 k( 222) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027473 k( 223) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027473 k( 224) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027473 k( 225) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027473 k( 226) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027473 k( 227) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027473 k( 228) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027473 k( 229) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027473 k( 230) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027473 k( 231) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027473 k( 232) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027473 k( 233) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027473 k( 234) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027473 k( 235) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027473 k( 236) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027473 k( 237) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027473 k( 238) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0027473 k( 239) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027473 k( 240) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027473 k( 241) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027473 k( 242) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027473 k( 243) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027473 k( 244) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027473 k( 245) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027473 k( 246) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027473 k( 247) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027473 k( 248) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027473 k( 249) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 250) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 251) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027473 k( 252) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027473 k( 253) = ( 0.3160920 0.3160919 0.5000000), wk = 0.0027473 k( 254) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027473 k( 255) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027473 k( 256) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027473 k( 257) = ( 0.2931034 0.2931035 0.5000000), wk = 0.0027473 k( 258) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027473 k( 259) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027473 k( 260) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027473 k( 261) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027473 k( 262) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027473 k( 263) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027473 k( 264) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027473 k( 265) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027473 k( 266) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027473 k( 267) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027473 k( 268) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027473 k( 269) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027473 k( 270) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027473 k( 271) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027473 k( 272) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027473 k( 273) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027473 k( 274) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027473 k( 275) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027473 k( 276) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0027473 k( 277) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027473 k( 278) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027473 k( 279) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027473 k( 280) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027473 k( 281) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027473 k( 282) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027473 k( 283) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027473 k( 284) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027473 k( 285) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027473 k( 286) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027473 k( 287) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027473 k( 288) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027473 k( 289) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027473 k( 290) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027473 k( 291) = ( 0.0977012 0.0977011 0.5000000), wk = 0.0027473 k( 292) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027473 k( 293) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027473 k( 294) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027473 k( 295) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027473 k( 296) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027473 k( 297) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027473 k( 298) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027473 k( 299) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027473 k( 300) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027473 k( 301) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027473 k( 302) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027473 k( 303) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027473 k( 304) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027473 k( 305) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027473 k( 306) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0027473 k( 307) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027473 k( 308) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 309) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 310) = ( 0.5000000 -0.0000000 0.4814815), wk = 0.0027473 k( 311) = ( 0.5000000 -0.0000000 0.4629630), wk = 0.0027473 k( 312) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0027473 k( 313) = ( 0.5000000 -0.0000000 0.4259259), wk = 0.0027473 k( 314) = ( 0.5000000 -0.0000000 0.4074074), wk = 0.0027473 k( 315) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0027473 k( 316) = ( 0.5000000 -0.0000000 0.3703704), wk = 0.0027473 k( 317) = ( 0.5000000 -0.0000000 0.3518519), wk = 0.0027473 k( 318) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0027473 k( 319) = ( 0.5000000 -0.0000000 0.3148148), wk = 0.0027473 k( 320) = ( 0.5000000 -0.0000000 0.2962963), wk = 0.0027473 k( 321) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0027473 k( 322) = ( 0.5000000 -0.0000000 0.2592593), wk = 0.0027473 k( 323) = ( 0.5000000 -0.0000000 0.2407407), wk = 0.0027473 k( 324) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0027473 k( 325) = ( 0.5000000 -0.0000000 0.2037037), wk = 0.0027473 k( 326) = ( 0.5000000 -0.0000000 0.1851852), wk = 0.0027473 k( 327) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0027473 k( 328) = ( 0.5000000 -0.0000000 0.1481482), wk = 0.0027473 k( 329) = ( 0.5000000 -0.0000000 0.1296296), wk = 0.0027473 k( 330) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0027473 k( 331) = ( 0.5000000 -0.0000000 0.0925926), wk = 0.0027473 k( 332) = ( 0.5000000 -0.0000000 0.0740741), wk = 0.0027473 k( 333) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0027473 k( 334) = ( 0.5000000 -0.0000000 0.0370370), wk = 0.0027473 k( 335) = ( 0.5000000 -0.0000000 0.0185185), wk = 0.0027473 k( 336) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027473 k( 337) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 338) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0027473 k( 339) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0027473 k( 340) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027473 k( 341) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0027473 k( 342) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0027473 k( 343) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027473 k( 344) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0027473 k( 345) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0027473 k( 346) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027473 k( 347) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0027473 k( 348) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0027473 k( 349) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027473 k( 350) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0027473 k( 351) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0027473 k( 352) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027473 k( 353) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0027473 k( 354) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0027473 k( 355) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027473 k( 356) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0027473 k( 357) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0027473 k( 358) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027473 k( 359) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0027473 k( 360) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0027473 k( 361) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027473 k( 362) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0027473 k( 363) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0027473 k( 364) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 Dense grid: 44823 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 18773 G-vectors FFT dimensions: ( 30, 30, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 96, 44) NL pseudopotentials 0.07 Mb ( 48, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 938) G-vector shells 0.00 Mb ( 458) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 96, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./TlN.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.1 secs Computing kpt #: 2 total cpu time spent up to now is 40.8 secs Computing kpt #: 3 total cpu time spent up to now is 41.4 secs Computing kpt #: 4 total cpu time spent up to now is 42.1 secs Computing kpt #: 5 total cpu time spent up to now is 42.8 secs Computing kpt #: 6 total cpu time spent up to now is 43.4 secs Computing kpt #: 7 total cpu time spent up to now is 44.1 secs Computing kpt #: 8 total cpu time spent up to now is 44.8 secs Computing kpt #: 9 total cpu time spent up to now is 45.5 secs Computing kpt #: 10 total cpu time spent up to now is 46.3 secs Computing kpt #: 11 total cpu time spent up to now is 47.0 secs Computing kpt #: 12 total cpu time spent up to now is 47.8 secs Computing kpt #: 13 total cpu time spent up to now is 48.6 secs Computing kpt #: 14 total cpu time spent up to now is 49.4 secs Computing kpt #: 15 total cpu time spent up to now is 50.2 secs Computing kpt #: 16 total cpu time spent up to now is 51.0 secs Computing kpt #: 17 total cpu time spent up to now is 51.9 secs Computing kpt #: 18 total cpu time spent up to now is 52.7 secs Computing kpt #: 19 total cpu time spent up to now is 53.6 secs Computing kpt #: 20 total cpu time spent up to now is 54.4 secs Computing kpt #: 21 total cpu time spent up to now is 55.3 secs Computing kpt #: 22 total cpu time spent up to now is 56.1 secs Computing kpt #: 23 total cpu time spent up to now is 57.3 secs Computing kpt #: 24 total cpu time spent up to now is 58.5 secs Computing kpt #: 25 total cpu time spent up to now is 59.5 secs Computing kpt #: 26 total cpu time spent up to now is 60.7 secs Computing kpt #: 27 total cpu time spent up to now is 62.1 secs Computing kpt #: 28 total cpu time spent up to now is 63.6 secs Computing kpt #: 29 total cpu time spent up to now is 64.7 secs Computing kpt #: 30 total cpu time spent up to now is 65.8 secs Computing kpt #: 31 total cpu time spent up to now is 66.9 secs Computing kpt #: 32 total cpu time spent up to now is 68.3 secs Computing kpt #: 33 total cpu time spent up to now is 69.7 secs Computing kpt #: 34 total cpu time spent up to now is 70.9 secs Computing kpt #: 35 total cpu time spent up to now is 72.0 secs Computing kpt #: 36 total cpu time spent up to now is 73.4 secs Computing kpt #: 37 total cpu time spent up to now is 74.5 secs Computing kpt #: 38 total cpu time spent up to now is 75.7 secs Computing kpt #: 39 total cpu time spent up to now is 76.5 secs Computing kpt #: 40 total cpu time spent up to now is 77.3 secs Computing kpt #: 41 total cpu time spent up to now is 78.8 secs Computing kpt #: 42 total cpu time spent up to now is 80.2 secs Computing kpt #: 43 total cpu time spent up to now is 81.0 secs Computing kpt #: 44 total cpu time spent up to now is 81.8 secs Computing kpt #: 45 total cpu time spent up to now is 82.5 secs Computing kpt #: 46 total cpu time spent up to now is 83.4 secs Computing kpt #: 47 total cpu time spent up to now is 84.1 secs Computing kpt #: 48 total cpu time spent up to now is 84.9 secs Computing kpt #: 49 total cpu time spent up to now is 86.1 secs Computing kpt #: 50 total cpu time spent up to now is 87.0 secs Computing kpt #: 51 total cpu time spent up to now is 88.1 secs Computing kpt #: 52 total cpu time spent up to now is 89.2 secs Computing kpt #: 53 total cpu time spent up to now is 90.2 secs Computing kpt #: 54 total cpu time spent up to now is 91.1 secs Computing kpt #: 55 total cpu time spent up to now is 91.9 secs Computing kpt #: 56 total cpu time spent up to now is 93.1 secs Computing kpt #: 57 total cpu time spent up to now is 94.4 secs Computing kpt #: 58 total cpu time spent up to now is 95.3 secs Computing kpt #: 59 total cpu time spent up to now is 96.3 secs Computing kpt #: 60 total cpu time spent up to now is 97.6 secs Computing kpt #: 61 total cpu time spent up to now is 98.4 secs Computing kpt #: 62 total cpu time spent up to now is 99.3 secs Computing kpt #: 63 total cpu time spent up to now is 101.0 secs Computing kpt #: 64 total cpu time spent up to now is 102.7 secs Computing kpt #: 65 total cpu time spent up to now is 103.8 secs Computing kpt #: 66 total cpu time spent up to now is 104.5 secs Computing kpt #: 67 total cpu time spent up to now is 105.6 secs Computing kpt #: 68 total cpu time spent up to now is 106.5 secs Computing kpt #: 69 total cpu time spent up to now is 107.4 secs Computing kpt #: 70 total cpu time spent up to now is 108.6 secs Computing kpt #: 71 total cpu time spent up to now is 110.4 secs Computing kpt #: 72 total cpu time spent up to now is 111.3 secs Computing kpt #: 73 total cpu time spent up to now is 112.4 secs Computing kpt #: 74 total cpu time spent up to now is 113.5 secs Computing kpt #: 75 total cpu time spent up to now is 114.6 secs Computing kpt #: 76 total cpu time spent up to now is 115.8 secs Computing kpt #: 77 total cpu time spent up to now is 116.8 secs Computing kpt #: 78 total cpu time spent up to now is 117.7 secs Computing kpt #: 79 total cpu time spent up to now is 118.6 secs Computing kpt #: 80 total cpu time spent up to now is 119.4 secs Computing kpt #: 81 total cpu time spent up to now is 120.2 secs Computing kpt #: 82 total cpu time spent up to now is 121.4 secs Computing kpt #: 83 total cpu time spent up to now is 122.4 secs Computing kpt #: 84 total cpu time spent up to now is 123.3 secs Computing kpt #: 85 total cpu time spent up to now is 124.6 secs Computing kpt #: 86 total cpu time spent up to now is 125.7 secs Computing kpt #: 87 total cpu time spent up to now is 126.9 secs Computing kpt #: 88 total cpu time spent up to now is 127.9 secs Computing kpt #: 89 total cpu time spent up to now is 128.9 secs Computing kpt #: 90 total cpu time spent up to now is 129.9 secs Computing kpt #: 91 total cpu time spent up to now is 130.8 secs Computing kpt #: 92 total cpu time spent up to now is 131.8 secs Computing kpt #: 93 total cpu time spent up to now is 132.6 secs Computing kpt #: 94 total cpu time spent up to now is 133.5 secs Computing kpt #: 95 total cpu time spent up to now is 134.3 secs Computing kpt #: 96 total cpu time spent up to now is 135.5 secs Computing kpt #: 97 total cpu time spent up to now is 136.6 secs Computing kpt #: 98 total cpu time spent up to now is 137.9 secs Computing kpt #: 99 total cpu time spent up to now is 139.1 secs Computing kpt #: 100 total cpu time spent up to now is 140.0 secs Computing kpt #: 101 total cpu time spent up to now is 141.3 secs Computing kpt #: 102 total cpu time spent up to now is 142.2 secs Computing kpt #: 103 total cpu time spent up to now is 143.1 secs Computing kpt #: 104 total cpu time spent up to now is 143.9 secs Computing kpt #: 105 total cpu time spent up to now is 144.7 secs Computing kpt #: 106 total cpu time spent up to now is 145.5 secs Computing kpt #: 107 total cpu time spent up to now is 146.4 secs Computing kpt #: 108 total cpu time spent up to now is 147.3 secs Computing kpt #: 109 total cpu time spent up to now is 148.2 secs Computing kpt #: 110 total cpu time spent up to now is 149.5 secs Computing kpt #: 111 total cpu time spent up to now is 151.6 secs Computing kpt #: 112 total cpu time spent up to now is 152.5 secs Computing kpt #: 113 total cpu time spent up to now is 153.3 secs Computing kpt #: 114 total cpu time spent up to now is 154.1 secs Computing kpt #: 115 total cpu time spent up to now is 154.9 secs Computing kpt #: 116 total cpu time spent up to now is 155.7 secs Computing kpt #: 117 total cpu time spent up to now is 156.6 secs Computing kpt #: 118 total cpu time spent up to now is 157.7 secs Computing kpt #: 119 total cpu time spent up to now is 158.7 secs Computing kpt #: 120 total cpu time spent up to now is 159.8 secs Computing kpt #: 121 total cpu time spent up to now is 160.7 secs Computing kpt #: 122 total cpu time spent up to now is 161.5 secs Computing kpt #: 123 total cpu time spent up to now is 162.3 secs Computing kpt #: 124 total cpu time spent up to now is 163.1 secs Computing kpt #: 125 total cpu time spent up to now is 164.1 secs Computing kpt #: 126 total cpu time spent up to now is 165.1 secs Computing kpt #: 127 total cpu time spent up to now is 166.4 secs Computing kpt #: 128 total cpu time spent up to now is 167.7 secs Computing kpt #: 129 total cpu time spent up to now is 168.7 secs Computing kpt #: 130 total cpu time spent up to now is 169.7 secs Computing kpt #: 131 total cpu time spent up to now is 170.5 secs Computing kpt #: 132 total cpu time spent up to now is 171.2 secs Computing kpt #: 133 total cpu time spent up to now is 172.0 secs Computing kpt #: 134 total cpu time spent up to now is 172.6 secs Computing kpt #: 135 total cpu time spent up to now is 173.5 secs Computing kpt #: 136 total cpu time spent up to now is 174.3 secs Computing kpt #: 137 total cpu time spent up to now is 175.0 secs Computing kpt #: 138 total cpu time spent up to now is 175.8 secs Computing kpt #: 139 total cpu time spent up to now is 176.7 secs Computing kpt #: 140 total cpu time spent up to now is 177.4 secs Computing kpt #: 141 total cpu time spent up to now is 178.2 secs Computing kpt #: 142 total cpu time spent up to now is 180.3 secs Computing kpt #: 143 total cpu time spent up to now is 181.1 secs Computing kpt #: 144 total cpu time spent up to now is 181.8 secs Computing kpt #: 145 total cpu time spent up to now is 182.8 secs Computing kpt #: 146 total cpu time spent up to now is 184.2 secs Computing kpt #: 147 total cpu time spent up to now is 185.0 secs Computing kpt #: 148 total cpu time spent up to now is 185.8 secs Computing kpt #: 149 total cpu time spent up to now is 186.7 secs Computing kpt #: 150 total cpu time spent up to now is 187.5 secs Computing kpt #: 151 total cpu time spent up to now is 188.2 secs Computing kpt #: 152 total cpu time spent up to now is 188.8 secs Computing kpt #: 153 total cpu time spent up to now is 189.5 secs Computing kpt #: 154 total cpu time spent up to now is 190.1 secs Computing kpt #: 155 total cpu time spent up to now is 191.3 secs Computing kpt #: 156 total cpu time spent up to now is 192.3 secs Computing kpt #: 157 total cpu time spent up to now is 193.7 secs Computing kpt #: 158 total cpu time spent up to now is 194.7 secs Computing kpt #: 159 total cpu time spent up to now is 195.5 secs Computing kpt #: 160 total cpu time spent up to now is 196.2 secs Computing kpt #: 161 total cpu time spent up to now is 196.9 secs Computing kpt #: 162 total cpu time spent up to now is 197.7 secs Computing kpt #: 163 total cpu time spent up to now is 198.5 secs Computing kpt #: 164 total cpu time spent up to now is 199.7 secs Computing kpt #: 165 total cpu time spent up to now is 200.8 secs Computing kpt #: 166 total cpu time spent up to now is 202.8 secs Computing kpt #: 167 total cpu time spent up to now is 204.9 secs Computing kpt #: 168 total cpu time spent up to now is 206.5 secs Computing kpt #: 169 total cpu time spent up to now is 209.1 secs Computing kpt #: 170 total cpu time spent up to now is 210.1 secs Computing kpt #: 171 total cpu time spent up to now is 210.8 secs Computing kpt #: 172 total cpu time spent up to now is 211.5 secs Computing kpt #: 173 total cpu time spent up to now is 212.2 secs Computing kpt #: 174 total cpu time spent up to now is 212.9 secs Computing kpt #: 175 total cpu time spent up to now is 213.6 secs Computing kpt #: 176 total cpu time spent up to now is 214.9 secs Computing kpt #: 177 total cpu time spent up to now is 216.3 secs Computing kpt #: 178 total cpu time spent up to now is 217.8 secs Computing kpt #: 179 total cpu time spent up to now is 219.2 secs Computing kpt #: 180 total cpu time spent up to now is 221.0 secs Computing kpt #: 181 total cpu time spent up to now is 222.5 secs Computing kpt #: 182 total cpu time spent up to now is 224.1 secs Computing kpt #: 183 total cpu time spent up to now is 225.3 secs Computing kpt #: 184 total cpu time spent up to now is 226.0 secs Computing kpt #: 185 total cpu time spent up to now is 226.8 secs Computing kpt #: 186 total cpu time spent up to now is 227.5 secs Computing kpt #: 187 total cpu time spent up to now is 228.7 secs Computing kpt #: 188 total cpu time spent up to now is 230.9 secs Computing kpt #: 189 total cpu time spent up to now is 232.2 secs Computing kpt #: 190 total cpu time spent up to now is 233.2 secs Computing kpt #: 191 total cpu time spent up to now is 234.3 secs Computing kpt #: 192 total cpu time spent up to now is 235.2 secs Computing kpt #: 193 total cpu time spent up to now is 236.0 secs Computing kpt #: 194 total cpu time spent up to now is 236.7 secs Computing kpt #: 195 total cpu time spent up to now is 237.5 secs Computing kpt #: 196 total cpu time spent up to now is 238.2 secs Computing kpt #: 197 total cpu time spent up to now is 239.0 secs Computing kpt #: 198 total cpu time spent up to now is 240.3 secs Computing kpt #: 199 total cpu time spent up to now is 241.4 secs Computing kpt #: 200 total cpu time spent up to now is 242.3 secs Computing kpt #: 201 total cpu time spent up to now is 243.2 secs Computing kpt #: 202 total cpu time spent up to now is 244.3 secs Computing kpt #: 203 total cpu time spent up to now is 245.8 secs Computing kpt #: 204 total cpu time spent up to now is 246.8 secs Computing kpt #: 205 total cpu time spent up to now is 247.8 secs Computing kpt #: 206 total cpu time spent up to now is 249.2 secs Computing kpt #: 207 total cpu time spent up to now is 250.5 secs Computing kpt #: 208 total cpu time spent up to now is 251.4 secs Computing kpt #: 209 total cpu time spent up to now is 252.3 secs Computing kpt #: 210 total cpu time spent up to now is 253.0 secs Computing kpt #: 211 total cpu time spent up to now is 253.7 secs Computing kpt #: 212 total cpu time spent up to now is 254.3 secs Computing kpt #: 213 total cpu time spent up to now is 255.0 secs Computing kpt #: 214 total cpu time spent up to now is 255.7 secs Computing kpt #: 215 total cpu time spent up to now is 256.3 secs Computing kpt #: 216 total cpu time spent up to now is 257.0 secs Computing kpt #: 217 total cpu time spent up to now is 258.9 secs Computing kpt #: 218 total cpu time spent up to now is 259.9 secs Computing kpt #: 219 total cpu time spent up to now is 261.2 secs Computing kpt #: 220 total cpu time spent up to now is 262.2 secs Computing kpt #: 221 total cpu time spent up to now is 264.2 secs Computing kpt #: 222 total cpu time spent up to now is 265.6 secs Computing kpt #: 223 total cpu time spent up to now is 266.4 secs Computing kpt #: 224 total cpu time spent up to now is 267.1 secs Computing kpt #: 225 total cpu time spent up to now is 267.7 secs Computing kpt #: 226 total cpu time spent up to now is 268.4 secs Computing kpt #: 227 total cpu time spent up to now is 269.1 secs Computing kpt #: 228 total cpu time spent up to now is 269.7 secs Computing kpt #: 229 total cpu time spent up to now is 270.5 secs Computing kpt #: 230 total cpu time spent up to now is 274.0 secs Computing kpt #: 231 total cpu time spent up to now is 276.2 secs Computing kpt #: 232 total cpu time spent up to now is 277.1 secs Computing kpt #: 233 total cpu time spent up to now is 277.9 secs Computing kpt #: 234 total cpu time spent up to now is 278.6 secs Computing kpt #: 235 total cpu time spent up to now is 279.4 secs Computing kpt #: 236 total cpu time spent up to now is 280.2 secs Computing kpt #: 237 total cpu time spent up to now is 281.8 secs Computing kpt #: 238 total cpu time spent up to now is 284.4 secs Computing kpt #: 239 total cpu time spent up to now is 285.7 secs Computing kpt #: 240 total cpu time spent up to now is 287.0 secs Computing kpt #: 241 total cpu time spent up to now is 288.2 secs Computing kpt #: 242 total cpu time spent up to now is 289.3 secs Computing kpt #: 243 total cpu time spent up to now is 290.5 secs Computing kpt #: 244 total cpu time spent up to now is 291.4 secs Computing kpt #: 245 total cpu time spent up to now is 292.3 secs Computing kpt #: 246 total cpu time spent up to now is 293.3 secs Computing kpt #: 247 total cpu time spent up to now is 294.3 secs Computing kpt #: 248 total cpu time spent up to now is 295.1 secs Computing kpt #: 249 total cpu time spent up to now is 297.0 secs Computing kpt #: 250 total cpu time spent up to now is 298.7 secs Computing kpt #: 251 total cpu time spent up to now is 300.7 secs Computing kpt #: 252 total cpu time spent up to now is 303.0 secs Computing kpt #: 253 total cpu time spent up to now is 304.0 secs Computing kpt #: 254 total cpu time spent up to now is 305.0 secs Computing kpt #: 255 total cpu time spent up to now is 305.9 secs Computing kpt #: 256 total cpu time spent up to now is 306.8 secs Computing kpt #: 257 total cpu time spent up to now is 309.6 secs Computing kpt #: 258 total cpu time spent up to now is 310.9 secs Computing kpt #: 259 total cpu time spent up to now is 312.0 secs Computing kpt #: 260 total cpu time spent up to now is 313.7 secs Computing kpt #: 261 total cpu time spent up to now is 316.0 secs Computing kpt #: 262 total cpu time spent up to now is 317.7 secs Computing kpt #: 263 total cpu time spent up to now is 318.8 secs Computing kpt #: 264 total cpu time spent up to now is 319.6 secs Computing kpt #: 265 total cpu time spent up to now is 320.4 secs Computing kpt #: 266 total cpu time spent up to now is 321.2 secs Computing kpt #: 267 total cpu time spent up to now is 322.5 secs Computing kpt #: 268 total cpu time spent up to now is 323.8 secs Computing kpt #: 269 total cpu time spent up to now is 324.7 secs Computing kpt #: 270 total cpu time spent up to now is 325.5 secs Computing kpt #: 271 total cpu time spent up to now is 326.5 secs Computing kpt #: 272 total cpu time spent up to now is 327.7 secs Computing kpt #: 273 total cpu time spent up to now is 328.9 secs Computing kpt #: 274 total cpu time spent up to now is 330.1 secs Computing kpt #: 275 total cpu time spent up to now is 331.0 secs Computing kpt #: 276 total cpu time spent up to now is 332.3 secs Computing kpt #: 277 total cpu time spent up to now is 333.3 secs Computing kpt #: 278 total cpu time spent up to now is 334.1 secs Computing kpt #: 279 total cpu time spent up to now is 334.8 secs Computing kpt #: 280 total cpu time spent up to now is 335.6 secs Computing kpt #: 281 total cpu time spent up to now is 336.4 secs Computing kpt #: 282 total cpu time spent up to now is 337.1 secs Computing kpt #: 283 total cpu time spent up to now is 337.9 secs Computing kpt #: 284 total cpu time spent up to now is 338.7 secs Computing kpt #: 285 total cpu time spent up to now is 339.9 secs Computing kpt #: 286 total cpu time spent up to now is 341.3 secs Computing kpt #: 287 total cpu time spent up to now is 343.0 secs Computing kpt #: 288 total cpu time spent up to now is 344.3 secs Computing kpt #: 289 total cpu time spent up to now is 345.1 secs Computing kpt #: 290 total cpu time spent up to now is 345.8 secs Computing kpt #: 291 total cpu time spent up to now is 346.6 secs Computing kpt #: 292 total cpu time spent up to now is 347.3 secs Computing kpt #: 293 total cpu time spent up to now is 348.2 secs Computing kpt #: 294 total cpu time spent up to now is 348.9 secs Computing kpt #: 295 total cpu time spent up to now is 349.7 secs Computing kpt #: 296 total cpu time spent up to now is 350.4 secs Computing kpt #: 297 total cpu time spent up to now is 352.1 secs Computing kpt #: 298 total cpu time spent up to now is 353.3 secs Computing kpt #: 299 total cpu time spent up to now is 354.8 secs Computing kpt #: 300 total cpu time spent up to now is 355.9 secs Computing kpt #: 301 total cpu time spent up to now is 357.4 secs Computing kpt #: 302 total cpu time spent up to now is 358.2 secs Computing kpt #: 303 total cpu time spent up to now is 359.0 secs Computing kpt #: 304 total cpu time spent up to now is 359.6 secs Computing kpt #: 305 total cpu time spent up to now is 360.3 secs Computing kpt #: 306 total cpu time spent up to now is 360.9 secs Computing kpt #: 307 total cpu time spent up to now is 361.6 secs Computing kpt #: 308 total cpu time spent up to now is 362.3 secs Computing kpt #: 309 total cpu time spent up to now is 362.9 secs Computing kpt #: 310 total cpu time spent up to now is 364.1 secs Computing kpt #: 311 total cpu time spent up to now is 365.9 secs Computing kpt #: 312 total cpu time spent up to now is 366.8 secs Computing kpt #: 313 total cpu time spent up to now is 367.8 secs Computing kpt #: 314 total cpu time spent up to now is 368.9 secs Computing kpt #: 315 total cpu time spent up to now is 371.3 secs Computing kpt #: 316 total cpu time spent up to now is 372.0 secs Computing kpt #: 317 total cpu time spent up to now is 372.8 secs Computing kpt #: 318 total cpu time spent up to now is 373.5 secs Computing kpt #: 319 total cpu time spent up to now is 374.6 secs Computing kpt #: 320 total cpu time spent up to now is 375.6 secs Computing kpt #: 321 total cpu time spent up to now is 376.5 secs Computing kpt #: 322 total cpu time spent up to now is 377.7 secs Computing kpt #: 323 total cpu time spent up to now is 379.0 secs Computing kpt #: 324 total cpu time spent up to now is 380.5 secs Computing kpt #: 325 total cpu time spent up to now is 382.3 secs Computing kpt #: 326 total cpu time spent up to now is 384.0 secs Computing kpt #: 327 total cpu time spent up to now is 385.6 secs Computing kpt #: 328 total cpu time spent up to now is 386.4 secs Computing kpt #: 329 total cpu time spent up to now is 387.2 secs Computing kpt #: 330 total cpu time spent up to now is 387.9 secs Computing kpt #: 331 total cpu time spent up to now is 388.7 secs Computing kpt #: 332 total cpu time spent up to now is 389.4 secs Computing kpt #: 333 total cpu time spent up to now is 390.2 secs Computing kpt #: 334 total cpu time spent up to now is 391.1 secs Computing kpt #: 335 total cpu time spent up to now is 391.9 secs Computing kpt #: 336 total cpu time spent up to now is 393.1 secs Computing kpt #: 337 total cpu time spent up to now is 394.0 secs Computing kpt #: 338 total cpu time spent up to now is 395.7 secs Computing kpt #: 339 total cpu time spent up to now is 397.2 secs Computing kpt #: 340 total cpu time spent up to now is 398.5 secs Computing kpt #: 341 total cpu time spent up to now is 399.7 secs Computing kpt #: 342 total cpu time spent up to now is 400.8 secs Computing kpt #: 343 total cpu time spent up to now is 401.7 secs Computing kpt #: 344 total cpu time spent up to now is 402.5 secs Computing kpt #: 345 total cpu time spent up to now is 403.4 secs Computing kpt #: 346 total cpu time spent up to now is 404.4 secs Computing kpt #: 347 total cpu time spent up to now is 405.5 secs Computing kpt #: 348 total cpu time spent up to now is 406.6 secs Computing kpt #: 349 total cpu time spent up to now is 407.8 secs Computing kpt #: 350 total cpu time spent up to now is 409.3 secs Computing kpt #: 351 total cpu time spent up to now is 410.4 secs Computing kpt #: 352 total cpu time spent up to now is 411.6 secs Computing kpt #: 353 total cpu time spent up to now is 413.0 secs Computing kpt #: 354 total cpu time spent up to now is 414.2 secs Computing kpt #: 355 total cpu time spent up to now is 415.5 secs Computing kpt #: 356 total cpu time spent up to now is 416.5 secs Computing kpt #: 357 total cpu time spent up to now is 418.2 secs Computing kpt #: 358 total cpu time spent up to now is 419.5 secs Computing kpt #: 359 total cpu time spent up to now is 420.9 secs Computing kpt #: 360 total cpu time spent up to now is 422.2 secs Computing kpt #: 361 total cpu time spent up to now is 423.2 secs Computing kpt #: 362 total cpu time spent up to now is 424.1 secs Computing kpt #: 363 total cpu time spent up to now is 425.1 secs Computing kpt #: 364 total cpu time spent up to now is 426.4 secs ethr = 2.78E-11, avg # of iterations = 24.5 total cpu time spent up to now is 426.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2345 PWs) bands (ev): -5.0476 -5.0476 -4.5623 -4.5623 -2.1067 -2.1067 -2.0700 -2.0700 -2.0304 -2.0304 -1.2602 -1.2602 -0.2696 -0.2696 -0.1023 -0.1023 0.0820 0.0820 0.1362 0.1362 0.4628 0.4628 1.1251 1.1251 3.5154 3.5154 8.0093 8.0093 8.8918 8.8918 8.9788 8.9788 9.8138 9.8138 9.8988 9.8988 9.9307 9.9307 11.0917 11.0917 15.8794 15.8794 17.0560 17.0560 k = 0.0100 0.0058-0.0000 ( 2343 PWs) bands (ev): -5.0470 -5.0470 -4.5644 -4.5598 -2.1064 -2.1064 -2.0718 -2.0680 -2.0301 -2.0301 -1.2768 -1.2436 -0.2712 -0.2675 -0.1046 -0.0993 0.0811 0.0831 0.1362 0.1362 0.4625 0.4625 1.1136 1.1374 3.5160 3.5168 8.0054 8.0061 8.8686 8.9035 8.9742 8.9752 9.8082 9.8176 9.8994 9.9002 9.9285 9.9354 11.0852 11.1129 15.8785 15.8810 17.0495 17.0591 k = 0.0200 0.0115-0.0000 ( 2339 PWs) bands (ev): -5.0454 -5.0453 -4.5661 -4.5569 -2.1057 -2.1057 -2.0732 -2.0657 -2.0292 -2.0292 -1.2934 -1.2270 -0.2722 -0.2648 -0.1063 -0.0958 0.0805 0.0845 0.1361 0.1361 0.4618 0.4619 1.1029 1.1503 3.5183 3.5200 7.9947 7.9959 8.8321 8.9059 8.9591 8.9663 9.8006 9.8197 9.8990 9.9044 9.9280 9.9454 11.0938 11.1478 15.8783 15.8833 17.0396 17.0585 k = 0.0300 0.0173-0.0000 ( 2339 PWs) bands (ev): -5.0427 -5.0425 -4.5673 -4.5535 -2.1047 -2.1044 -2.0741 -2.0632 -2.0278 -2.0277 -1.3099 -1.2105 -0.2727 -0.2615 -0.1073 -0.0918 0.0801 0.0861 0.1360 0.1361 0.4606 0.4609 1.0931 1.1638 3.5225 3.5251 7.9771 7.9787 8.7820 8.8992 8.9340 8.9540 9.7912 9.8202 9.8955 9.9082 9.9317 9.9622 11.1171 11.1950 15.8788 15.8862 17.0263 17.0537 k = 0.0400 0.0231-0.0000 ( 2339 PWs) bands (ev): -5.0389 -5.0387 -4.5680 -4.5497 -2.1033 -2.1027 -2.0745 -2.0605 -2.0259 -2.0257 -1.3264 -1.1942 -0.2725 -0.2578 -0.1076 -0.0873 0.0800 0.0880 0.1359 0.1361 0.4589 0.4595 1.0843 1.1779 3.5285 3.5320 7.9531 7.9546 8.7192 8.8753 8.9080 8.9391 9.7799 9.8192 9.8889 9.9070 9.9442 9.9854 11.1543 11.2527 15.8800 15.8896 17.0093 17.0444 k = 0.0500 0.0289-0.0000 ( 2335 PWs) bands (ev): -5.0340 -5.0338 -4.5684 -4.5455 -2.1018 -2.1006 -2.0740 -2.0576 -2.0233 -2.0230 -1.3427 -1.1780 -0.2717 -0.2535 -0.1070 -0.0824 0.0802 0.0902 0.1357 0.1361 0.4566 0.4578 1.0764 1.1924 3.5362 3.5408 7.9227 7.9239 8.6458 8.8274 8.8897 8.9218 9.7669 9.8166 9.8798 9.9014 9.9645 10.0142 11.2038 11.3192 15.8817 15.8934 16.9885 17.0296 k = 0.0600 0.0346-0.0000 ( 2335 PWs) bands (ev): -5.0281 -5.0279 -4.5683 -4.5410 -2.1004 -2.0980 -2.0726 -2.0546 -2.0203 -2.0197 -1.3589 -1.1620 -0.2703 -0.2488 -0.1057 -0.0772 0.0807 0.0926 0.1356 0.1363 0.4539 0.4559 1.0695 1.2073 3.5456 3.5514 7.8863 7.8867 8.5635 8.7652 8.8713 8.9020 9.7522 9.8125 9.8683 9.8933 9.9903 10.0476 11.2640 11.3929 15.8838 15.8975 16.9634 17.0089 k = 0.0700 0.0404-0.0000 ( 2335 PWs) bands (ev): -5.0211 -5.0210 -4.5678 -4.5361 -2.0993 -2.0950 -2.0699 -2.0515 -2.0167 -2.0157 -1.3748 -1.1462 -0.2683 -0.2436 -0.1035 -0.0717 0.0814 0.0952 0.1354 0.1365 0.4507 0.4538 1.0636 1.2224 3.5567 3.5638 7.8432 7.8441 8.4742 8.6933 8.8503 8.8797 9.7357 9.8066 9.8548 9.8831 10.0210 10.0852 11.3331 11.4723 15.8861 15.9016 16.9339 16.9815 k = 0.0800 0.0462-0.0000 ( 2339 PWs) bands (ev): -5.0131 -5.0131 -4.5669 -4.5309 -2.0985 -2.0916 -2.0660 -2.0482 -2.0126 -2.0112 -1.3905 -1.1306 -0.2657 -0.2380 -0.1005 -0.0661 0.0825 0.0981 0.1353 0.1370 0.4470 0.4516 1.0588 1.2379 3.5693 3.5780 7.7937 7.7964 8.3795 8.6136 8.8264 8.8549 9.7175 9.7991 9.8394 9.8710 10.0558 10.1265 11.4094 11.5560 15.8884 15.9054 16.8997 16.9469 k = 0.0900 0.0520-0.0000 ( 2351 PWs) bands (ev): -5.0043 -5.0042 -4.5657 -4.5253 -2.0980 -2.0879 -2.0606 -2.0447 -2.0079 -2.0059 -1.4059 -1.1154 -0.2624 -0.2320 -0.0967 -0.0603 0.0838 0.1013 0.1352 0.1377 0.4429 0.4492 1.0550 1.2535 3.5835 3.5937 7.7382 7.7435 8.2807 8.5280 8.7995 8.8276 9.6975 9.7898 9.8221 9.8570 10.0946 10.1712 11.4914 11.6431 15.8903 15.9084 16.8608 16.9050 k = 0.1000 0.0577-0.0000 ( 2347 PWs) bands (ev): -4.9947 -4.9944 -4.5641 -4.5196 -2.0977 -2.0840 -2.0540 -2.0411 -2.0027 -2.0000 -1.4210 -1.1004 -0.2585 -0.2255 -0.0919 -0.0546 0.0854 0.1048 0.1352 0.1388 0.4385 0.4468 1.0522 1.2692 3.5991 3.6111 7.6770 7.6855 8.1792 8.4377 8.7700 8.7980 9.6757 9.7786 9.8032 9.8413 10.1368 10.2190 11.5777 11.7325 15.8912 15.9101 16.8177 16.8562 k = 0.1100 0.0635-0.0000 ( 2347 PWs) bands (ev): -4.9842 -4.9837 -4.5621 -4.5136 -2.0976 -2.0798 -2.0462 -2.0374 -1.9969 -1.9933 -1.4358 -1.0857 -0.2540 -0.2186 -0.0862 -0.0490 0.0874 0.1085 0.1354 0.1402 0.4338 0.4445 1.0505 1.2850 3.6160 3.6300 7.6102 7.6227 8.0760 8.3439 8.7379 8.7661 9.6521 9.7656 9.7827 9.8240 10.1823 10.2696 11.6672 11.8234 15.8905 15.9097 16.7711 16.8016 k = 0.1200 0.0693-0.0000 ( 2347 PWs) bands (ev): -4.9730 -4.9722 -4.5599 -4.5074 -2.0976 -2.0754 -2.0373 -2.0335 -1.9906 -1.9859 -1.4502 -1.0713 -0.2488 -0.2114 -0.0796 -0.0436 0.0897 0.1126 0.1358 0.1422 0.4289 0.4422 1.0497 1.3008 3.6342 3.6503 7.5377 7.5553 7.9720 8.2477 8.7035 8.7322 9.6266 9.7508 9.7607 9.8049 10.2306 10.3226 11.7590 11.9151 15.8872 15.9062 16.7223 16.7428 k = 0.1300 0.0751-0.0000 ( 2351 PWs) bands (ev): -4.9611 -4.9599 -4.5574 -4.5010 -2.0975 -2.0709 -2.0295 -2.0274 -1.9836 -1.9777 -1.4642 -1.0573 -0.2430 -0.2038 -0.0721 -0.0385 0.0923 0.1169 0.1364 0.1447 0.4238 0.4401 1.0499 1.3167 3.6535 3.6718 7.4596 7.4834 7.8683 8.1499 8.6669 8.6962 9.5993 9.7340 9.7373 9.7843 10.2816 10.3780 11.8521 12.0069 15.8800 15.8982 16.6733 16.6822 k = 0.1400 0.0808-0.0000 ( 2349 PWs) bands (ev): -4.9485 -4.9469 -4.5546 -4.4946 -2.0974 -2.0664 -2.0252 -2.0165 -1.9761 -1.9686 -1.4778 -1.0436 -0.2367 -0.1959 -0.0637 -0.0337 0.0953 0.1215 0.1374 0.1480 0.4187 0.4382 1.0510 1.3324 3.6738 3.6944 7.3761 7.4072 7.7655 8.0513 8.6283 8.6584 9.5700 9.7126 9.7153 9.7622 10.3349 10.4355 11.9458 12.0984 15.8676 15.8840 16.6225 16.6264 k = 0.1500 0.0866-0.0000 ( 2349 PWs) bands (ev): -4.9354 -4.9333 -4.5516 -4.4880 -2.0972 -2.0618 -2.0208 -2.0048 -1.9680 -1.9586 -1.4909 -1.0302 -0.2299 -0.1877 -0.0545 -0.0295 0.0986 0.1263 0.1388 0.1520 0.4135 0.4365 1.0531 1.3482 3.6949 3.7179 7.2873 7.3270 7.6641 7.9524 8.5879 8.6189 9.5388 9.6867 9.6946 9.7387 10.3904 10.4949 12.0394 12.1890 15.8481 15.8620 16.5667 16.5842 k = 0.1600 0.0924-0.0000 ( 2345 PWs) bands (ev): -4.9218 -4.9191 -4.5484 -4.4814 -2.0970 -2.0574 -2.0162 -1.9924 -1.9593 -1.9476 -1.5036 -1.0173 -0.2225 -0.1793 -0.0444 -0.0257 0.1023 0.1312 0.1408 0.1570 0.4084 0.4351 1.0560 1.3639 3.7168 3.7422 7.1937 7.2430 7.5647 7.8539 8.5459 8.5778 9.5057 9.6597 9.6721 9.7138 10.4480 10.5560 12.1325 12.2783 15.8203 15.8304 16.5175 16.5495 k = 0.1700 0.0981-0.0000 ( 2351 PWs) bands (ev): -4.9077 -4.9043 -4.5450 -4.4749 -2.0966 -2.0531 -2.0115 -1.9794 -1.9499 -1.9353 -1.5157 -1.0048 -0.2148 -0.1706 -0.0335 -0.0224 0.1062 0.1361 0.1435 0.1630 0.4035 0.4340 1.0597 1.3794 3.7391 3.7670 7.0958 7.1555 7.4672 7.7561 8.5024 8.5354 9.4705 9.6317 9.6474 9.6877 10.5072 10.6187 12.2244 12.3660 15.7831 15.7884 16.4767 16.5240 k = 0.1800 0.1039-0.0000 ( 2353 PWs) bands (ev): -4.8933 -4.8892 -4.5415 -4.4684 -2.0961 -2.0490 -2.0065 -1.9661 -1.9399 -1.9216 -1.5273 -0.9926 -0.2067 -0.1618 -0.0219 -0.0197 0.1103 0.1410 0.1470 0.1702 0.3988 0.4334 1.0642 1.3949 3.7618 3.7921 6.9943 7.0648 7.3717 7.6595 8.4577 8.4917 9.4335 9.6029 9.6208 9.6604 10.5681 10.6827 12.3148 12.4516 15.7363 15.7368 16.4447 16.5088 k = 0.1900 0.1097-0.0000 ( 2353 PWs) bands (ev): -4.8785 -4.8736 -4.5379 -4.4619 -2.0955 -2.0452 -2.0013 -1.9527 -1.9293 -1.9063 -1.5382 -0.9809 -0.1984 -0.1529 -0.0174 -0.0095 0.1146 0.1459 0.1515 0.1785 0.3944 0.4332 1.0694 1.4103 3.7845 3.8172 6.8902 6.9715 7.2780 7.5641 8.4120 8.4470 9.3947 9.5733 9.5922 9.6320 10.6304 10.7479 12.4031 12.5348 15.6754 15.6824 16.4206 16.5039 k = 0.2000 0.1155-0.0000 ( 2351 PWs) bands (ev): -4.8636 -4.8578 -4.5341 -4.4556 -2.0948 -2.0415 -1.9960 -1.9393 -1.9181 -1.8893 -1.5486 -0.9695 -0.1900 -0.1439 -0.0155 0.0035 0.1192 0.1506 0.1572 0.1878 0.3903 0.4335 1.0754 1.4255 3.8070 3.8420 6.7841 6.8759 7.1860 7.4703 8.3654 8.4014 9.3540 9.5430 9.5616 9.6027 10.6939 10.8141 12.4891 12.6153 15.6078 15.6214 16.4027 16.5083 k = 0.2100 0.1212-0.0000 ( 2365 PWs) bands (ev): -4.8485 -4.8417 -4.5303 -4.4494 -2.0941 -2.0382 -1.9905 -1.9262 -1.9062 -1.8705 -1.5582 -0.9586 -0.1815 -0.1349 -0.0138 0.0170 0.1241 0.1553 0.1642 0.1982 0.3867 0.4343 1.0820 1.4407 3.8291 3.8661 6.6770 6.7786 7.0954 7.3782 8.3182 8.3552 9.3115 9.5122 9.5289 9.5726 10.7585 10.8811 12.5723 12.6929 15.5356 15.5560 16.3885 16.5207 k = 0.2200 0.1270-0.0000 ( 2365 PWs) bands (ev): -4.8334 -4.8255 -4.5265 -4.4434 -2.0932 -2.0352 -1.9849 -1.9133 -1.8938 -1.8500 -1.5671 -0.9482 -0.1731 -0.1261 -0.0122 0.0309 0.1294 0.1599 0.1724 0.2094 0.3837 0.4357 1.0894 1.4557 3.8504 3.8893 6.5697 6.6801 7.0064 7.2881 8.2705 8.3083 9.2673 9.4809 9.4943 9.5418 10.8241 10.9489 12.6524 12.7673 15.4608 15.4878 16.3759 16.5397 k = 0.2300 0.1328-0.0000 ( 2357 PWs) bands (ev): -4.8182 -4.8092 -4.5226 -4.4377 -2.0921 -2.0324 -1.9792 -1.9006 -1.8808 -1.8279 -1.5752 -0.9381 -0.1649 -0.1176 -0.0105 0.0449 0.1354 0.1644 0.1819 0.2216 0.3814 0.4377 1.0973 1.4706 3.8706 3.9110 6.4629 6.5810 6.9189 7.2000 8.2226 8.2612 9.2216 9.4494 9.4576 9.5105 10.8904 11.0171 12.7293 12.8384 15.3853 15.4186 16.3628 16.5635 k = 0.2400 0.1386-0.0000 ( 2349 PWs) bands (ev): -4.8031 -4.7930 -4.5187 -4.4322 -2.0910 -2.0299 -1.9734 -1.8882 -1.8672 -1.8043 -1.5823 -0.9286 -0.1570 -0.1095 -0.0086 0.0588 0.1425 0.1689 0.1927 0.2346 0.3798 0.4403 1.1058 1.4853 3.8893 3.9310 6.3570 6.4817 6.8331 7.1142 8.1745 8.2138 9.1744 9.4177 9.4190 9.4788 10.9573 11.0857 12.8026 12.9060 15.3102 15.3497 16.3476 16.5897 k = 0.2500 0.1443-0.0000 ( 2349 PWs) bands (ev): -4.7882 -4.7768 -4.5148 -4.4269 -2.0898 -2.0277 -1.9677 -1.8763 -1.8532 -1.7794 -1.5883 -0.9195 -0.1496 -0.1020 -0.0062 0.0720 0.1510 0.1733 0.2044 0.2483 0.3792 0.4435 1.1148 1.4998 3.9062 3.9487 6.2527 6.3828 6.7495 7.0310 8.1266 8.1665 9.1259 9.3785 9.3859 9.4468 11.0245 11.1543 12.8722 12.9698 15.2368 15.2821 16.3288 16.6133 k = 0.2600 0.1501-0.0000 ( 2349 PWs) bands (ev): -4.7734 -4.7607 -4.5109 -4.4220 -2.0885 -2.0257 -1.9619 -1.8648 -1.8388 -1.7536 -1.5929 -0.9110 -0.1427 -0.0953 -0.0032 0.0841 0.1616 0.1776 0.2170 0.2628 0.3798 0.4473 1.1243 1.5140 3.9208 3.9638 6.1503 6.2845 6.6682 6.9508 8.0790 8.1193 9.0761 9.3361 9.3541 9.4147 11.0920 11.2229 12.9378 13.0299 15.1657 15.2167 16.3055 16.6193 k = 0.2700 0.1559-0.0000 ( 2351 PWs) bands (ev): -4.7589 -4.7449 -4.5070 -4.4174 -2.0871 -2.0240 -1.9562 -1.8539 -1.8239 -1.7272 -1.5957 -0.9031 -0.1363 -0.0895 0.0008 0.0948 0.1744 0.1818 0.2303 0.2780 0.3819 0.4517 1.1341 1.5279 3.9327 3.9758 6.0502 6.1874 6.5900 6.8738 8.0318 8.0724 9.0254 9.2920 9.3225 9.3825 11.1596 11.2912 12.9994 13.0860 15.0977 15.1542 16.2771 16.5812 k = 0.2800 0.1617-0.0000 ( 2355 PWs) bands (ev): -4.7447 -4.7295 -4.5031 -4.4131 -2.0856 -2.0226 -1.9505 -1.8437 -1.8088 -1.7011 -1.5958 -0.8957 -0.1305 -0.0848 0.0057 0.1039 0.1860 0.1893 0.2439 0.2939 0.3860 0.4567 1.1442 1.5414 3.9416 3.9844 5.9525 6.0917 6.5154 6.8007 7.9853 8.0261 8.9738 9.2462 9.2913 9.3504 11.2270 11.3589 13.0568 13.1383 15.0333 15.0951 16.2437 16.5063 k = 0.2900 0.1674-0.0000 ( 2353 PWs) bands (ev): -4.7309 -4.7143 -4.4993 -4.4092 -2.0840 -2.0215 -1.9448 -1.8343 -1.7934 -1.6768 -1.5918 -0.8890 -0.1253 -0.0811 0.0117 0.1115 0.1900 0.2059 0.2575 0.3105 0.3926 0.4623 1.1545 1.5544 3.9472 3.9891 5.8575 5.9974 6.4451 6.7319 7.9396 7.9804 8.9215 9.1989 9.2604 9.3185 11.2940 11.4259 13.1101 13.1866 14.9729 15.0400 16.2052 16.4190 k = 0.3000 0.1732-0.0000 ( 2345 PWs) bands (ev): -4.7175 -4.6997 -4.4955 -4.4057 -2.0824 -2.0206 -1.9392 -1.8260 -1.7778 -1.6568 -1.5812 -0.8829 -0.1207 -0.0785 0.0186 0.1181 0.1940 0.2234 0.2707 0.3278 0.4026 0.4685 1.1647 1.5667 3.9492 3.9899 5.7651 5.9048 6.3799 6.6680 7.8949 7.9356 8.8689 9.1502 9.2301 9.2869 11.3605 11.4919 13.1593 13.2309 14.9169 14.9891 16.1623 16.3287 k = 0.3100 0.1790-0.0000 ( 2347 PWs) bands (ev): -4.7045 -4.6855 -4.4918 -4.4025 -2.0807 -2.0199 -1.9337 -1.8189 -1.7621 -1.6429 -1.5622 -0.8775 -0.1167 -0.0767 0.0263 0.1239 0.1979 0.2407 0.2831 0.3457 0.4167 0.4752 1.1748 1.5782 3.9474 3.9864 5.6751 5.8138 6.3205 6.6095 7.8514 7.8917 8.8160 9.1003 9.2004 9.2558 11.4262 11.5566 13.2042 13.2714 14.8655 14.9427 16.1153 16.2383 k = 0.3200 0.1848-0.0000 ( 2347 PWs) bands (ev): -4.6920 -4.6719 -4.4880 -4.3998 -2.0789 -2.0194 -1.9282 -1.8131 -1.7465 -1.6338 -1.5362 -0.8729 -0.1131 -0.0757 0.0348 0.1290 0.2018 0.2568 0.2951 0.3641 0.4354 0.4825 1.1845 1.5887 3.9420 3.9789 5.5873 5.7244 6.2677 6.5568 7.8092 7.8491 8.7633 9.0493 9.1715 9.2253 11.4909 11.6198 13.2452 13.3080 14.8190 14.9012 16.0650 16.1491 k = 0.3300 0.1905-0.0000 ( 2341 PWs) bands (ev): -4.6801 -4.6590 -4.4842 -4.3974 -2.0770 -2.0192 -1.9229 -1.8086 -1.7308 -1.6270 -1.5059 -0.8691 -0.1100 -0.0753 0.0437 0.1338 0.2056 0.2704 0.3073 0.3829 0.4588 0.4907 1.1935 1.5979 3.9332 3.9676 5.5017 5.6364 6.2221 6.5103 7.7686 7.8077 8.7110 8.9973 9.1435 9.1955 11.5544 11.6812 13.2821 13.3408 14.7776 14.8647 16.0120 16.0614 k = 0.3400 0.1963-0.0000 ( 2345 PWs) bands (ev): -4.6686 -4.6467 -4.4805 -4.3954 -2.0751 -2.0192 -1.9176 -1.8055 -1.7154 -1.6209 -1.4734 -0.8662 -0.1074 -0.0753 0.0529 0.1381 0.2094 0.2807 0.3205 0.4018 0.4869 0.4999 1.2016 1.6055 3.9212 3.9527 5.4179 5.5497 6.1840 6.4702 7.7296 7.7678 8.6593 8.9447 9.1165 9.1665 11.6164 11.7405 13.3152 13.3700 14.7414 14.8333 15.9567 15.9756 k = 0.3500 0.2021-0.0000 ( 2345 PWs) bands (ev): -4.6578 -4.6352 -4.4767 -4.3938 -2.0732 -2.0195 -1.9124 -1.8035 -1.7002 -1.6147 -1.4395 -0.8642 -0.1051 -0.0756 0.0622 0.1422 0.2132 0.2877 0.3346 0.4202 0.5107 0.5192 1.2085 1.6112 3.9066 3.9349 5.3357 5.4643 6.1536 6.4363 7.6924 7.7295 8.6087 8.8916 9.0907 9.1385 11.6767 11.7975 13.3447 13.3956 14.7106 14.8072 15.8918 15.8998 k = 0.3600 0.2078-0.0000 ( 2345 PWs) bands (ev): -4.6475 -4.6245 -4.4728 -4.3926 -2.0712 -2.0199 -1.9073 -1.8027 -1.6854 -1.6083 -1.4049 -0.8632 -0.1030 -0.0762 0.0716 0.1461 0.2170 0.2923 0.3493 0.4374 0.5237 0.5551 1.2138 1.6146 3.8902 3.9150 5.2552 5.3802 6.1310 6.4086 7.6572 7.6929 8.5594 8.8382 9.0660 9.1115 11.7350 11.8519 13.3706 13.4179 14.6853 14.7865 15.8100 15.8417 k = 0.3700 0.2136-0.0000 ( 2337 PWs) bands (ev): -4.6378 -4.6146 -4.4689 -4.3918 -2.0692 -2.0205 -1.9023 -1.8028 -1.6710 -1.6016 -1.3699 -0.8632 -0.1013 -0.0769 0.0810 0.1497 0.2208 0.2951 0.3638 0.4527 0.5397 0.5941 1.2173 1.6155 3.8728 3.8937 5.1764 5.2975 6.1158 6.3865 7.6240 7.6583 8.5120 8.7848 9.0428 9.0858 11.7911 11.9035 13.3933 13.4370 14.6655 14.7712 15.7305 15.7828 k = 0.3800 0.2194-0.0000 ( 2336 PWs) bands (ev): -4.6287 -4.6056 -4.4649 -4.3914 -2.0671 -2.0213 -1.8974 -1.8038 -1.6571 -1.5949 -1.3350 -0.8644 -0.0998 -0.0777 0.0902 0.1530 0.2246 0.2967 0.3780 0.4654 0.5592 0.6359 1.2186 1.6133 3.8552 3.8720 5.0996 5.2162 6.1076 6.3694 7.5931 7.6256 8.4668 8.7318 9.0210 9.0613 11.8447 11.9518 13.4129 13.4531 14.6512 14.7613 15.6531 15.7234 k = 0.3900 0.2252-0.0000 ( 2340 PWs) bands (ev): -4.6202 -4.5976 -4.4608 -4.3914 -2.0650 -2.0223 -1.8926 -1.8055 -1.6438 -1.5882 -1.3003 -0.8667 -0.0984 -0.0787 0.0991 0.1560 0.2285 0.2974 0.3915 0.4754 0.5823 0.6799 1.2175 1.6078 3.8382 3.8509 5.0250 5.1368 6.1056 6.3566 7.5646 7.5950 8.4242 8.6793 9.0007 9.0382 11.8956 11.9968 13.4297 13.4663 14.6425 14.7566 15.5781 15.6637 k = 0.4000 0.2309-0.0000 ( 2344 PWs) bands (ev): -4.6123 -4.5904 -4.4566 -4.3917 -2.0628 -2.0234 -1.8878 -1.8077 -1.6312 -1.5818 -1.2661 -0.8703 -0.0972 -0.0796 0.1076 0.1588 0.2324 0.2974 0.4044 0.4832 0.6085 0.7258 1.2137 1.5985 3.8226 3.8310 4.9531 5.0595 6.1091 6.3473 7.5384 7.5667 8.3848 8.6278 8.9820 9.0166 11.9435 12.0381 13.4440 13.4771 14.6391 14.7571 15.5056 15.6042 k = 0.4100 0.2367-0.0000 ( 2344 PWs) bands (ev): -4.6050 -4.5842 -4.4523 -4.3925 -2.0606 -2.0247 -1.8831 -1.8103 -1.6194 -1.5757 -1.2326 -0.8752 -0.0961 -0.0805 0.1158 0.1612 0.2364 0.2968 0.4166 0.4891 0.6373 0.7730 1.2073 1.5853 3.8091 3.8134 4.8845 4.9848 6.1172 6.3405 7.5148 7.5408 8.3489 8.5775 8.9651 8.9966 11.9882 12.0755 13.4561 13.4857 14.6410 14.7626 15.4356 15.5451 k = 0.4200 0.2425-0.0000 ( 2340 PWs) bands (ev): -4.5983 -4.5789 -4.4479 -4.3936 -2.0585 -2.0261 -1.8785 -1.8133 -1.6084 -1.5701 -1.1999 -0.8815 -0.0951 -0.0815 0.1235 0.1633 0.2404 0.2957 0.4280 0.4935 0.6682 0.8208 1.1984 1.5678 3.7979 3.7985 4.8200 4.9134 6.1293 6.3355 7.4938 7.5172 8.3172 8.5290 8.9499 8.9782 12.0296 12.1089 13.4661 13.4923 14.6481 14.7727 15.3685 15.4866 k = 0.4300 0.2483-0.0000 ( 2336 PWs) bands (ev): -4.5922 -4.5746 -4.4435 -4.3950 -2.0562 -2.0276 -1.8739 -1.8165 -1.5983 -1.5652 -1.1684 -0.8892 -0.0942 -0.0824 0.1307 0.1651 0.2445 0.2941 0.4386 0.4966 0.7009 0.8684 1.1875 1.5460 3.7867 3.7894 4.7602 4.8460 6.1443 6.3312 7.4755 7.4961 8.2900 8.4826 8.9366 8.9616 12.0673 12.1381 13.4744 13.4972 14.6600 14.7869 15.3045 15.4291 k = 0.4400 0.2540-0.0000 ( 2340 PWs) bands (ev): -4.5867 -4.5711 -4.4391 -4.3968 -2.0540 -2.0292 -1.8694 -1.8200 -1.5891 -1.5611 -1.1380 -0.8984 -0.0933 -0.0834 0.1373 0.1664 0.2486 0.2920 0.4484 0.4986 0.7348 0.9140 1.1760 1.5198 3.7782 3.7835 4.7062 4.7832 6.1616 6.3268 7.4597 7.4775 8.2678 8.4387 8.9252 8.9468 12.1011 12.1629 13.4813 13.5006 14.6766 14.8047 15.2442 15.3728 k = 0.4500 0.2598-0.0000 ( 2332 PWs) bands (ev): -4.5819 -4.5684 -4.4346 -4.3989 -2.0518 -2.0310 -1.8650 -1.8236 -1.5809 -1.5578 -1.1090 -0.9091 -0.0925 -0.0843 0.1433 0.1672 0.2528 0.2896 0.4574 0.4995 0.7697 0.9547 1.1666 1.4895 3.7728 3.7799 4.6590 4.7262 6.1802 6.3218 7.4467 7.4615 8.2511 8.3979 8.9158 8.9339 12.1309 12.1832 13.4869 13.5029 14.6974 14.8249 15.1884 15.3181 k = 0.4600 0.2656-0.0000 ( 2336 PWs) bands (ev): -4.5776 -4.5666 -4.4303 -4.4014 -2.0496 -2.0328 -1.8606 -1.8274 -1.5738 -1.5554 -1.0815 -0.9215 -0.0917 -0.0851 0.1486 0.1675 0.2569 0.2869 0.4655 0.4994 0.8052 0.9844 1.1652 1.4553 3.7703 3.7780 4.6197 4.6757 6.1996 6.3155 7.4363 7.4482 8.2400 8.3606 8.9083 8.9229 12.1566 12.1989 13.4914 13.5042 14.7221 14.8457 15.1390 15.2655 k = 0.4700 0.2714-0.0000 ( 2332 PWs) bands (ev): -4.5740 -4.5656 -4.4260 -4.4041 -2.0474 -2.0347 -1.8562 -1.8313 -1.5677 -1.5539 -1.0556 -0.9355 -0.0909 -0.0860 0.1533 0.1673 0.2610 0.2838 0.4728 0.4983 0.8407 0.9960 1.1789 1.4176 3.7700 3.7772 4.5895 4.6330 6.2189 6.3075 7.4285 7.4375 8.2349 8.3272 8.9029 8.9139 12.1779 12.2099 13.4952 13.5047 14.7502 14.8634 15.0995 15.2156 k = 0.4800 0.2771-0.0000 ( 2336 PWs) bands (ev): -4.5710 -4.5653 -4.4218 -4.4072 -2.0452 -2.0367 -1.8519 -1.8353 -1.5627 -1.5535 -1.0313 -0.9512 -0.0901 -0.0869 0.1573 0.1666 0.2651 0.2804 0.4793 0.4963 0.8758 0.9886 1.2084 1.3770 3.7712 3.7768 4.5692 4.5991 6.2376 6.2975 7.4235 7.4294 8.2359 8.2984 8.8995 8.9069 12.1948 12.2162 13.4981 13.5045 14.7806 14.8715 15.0761 15.1692 k = 0.4900 0.2829-0.0000 ( 2336 PWs) bands (ev): -4.5686 -4.5657 -4.4178 -4.4105 -2.0430 -2.0388 -1.8477 -1.8394 -1.5587 -1.5542 -1.0086 -0.9686 -0.0893 -0.0877 0.1606 0.1652 0.2692 0.2769 0.4848 0.4934 0.9095 0.9684 1.2475 1.3343 3.7730 3.7760 4.5599 4.5751 6.2552 6.2854 7.4210 7.4240 8.2429 8.2744 8.8983 8.9020 12.2071 12.2179 13.5005 13.5037 14.8120 14.8636 15.0750 15.1279 k = 0.5000 0.2887-0.0000 ( 2332 PWs) bands (ev): -4.5668 -4.5668 -4.4140 -4.4140 -2.0409 -2.0409 -1.8435 -1.8435 -1.5559 -1.5559 -0.9877 -0.9877 -0.0885 -0.0885 0.1632 0.1632 0.2731 0.2731 0.4895 0.4895 0.9410 0.9410 1.2905 1.2905 3.7747 3.7747 4.5619 4.5619 6.2713 6.2713 7.4212 7.4212 8.2558 8.2558 8.8991 8.8991 12.2148 12.2148 13.5023 13.5023 14.8415 14.8415 15.0947 15.0947 k = 0.5000 0.2887-0.0000 ( 2332 PWs) bands (ev): -4.5668 -4.5668 -4.4140 -4.4140 -2.0409 -2.0409 -1.8435 -1.8435 -1.5559 -1.5559 -0.9877 -0.9877 -0.0885 -0.0885 0.1632 0.1632 0.2731 0.2731 0.4895 0.4895 0.9410 0.9410 1.2905 1.2905 3.7747 3.7747 4.5619 4.5619 6.2713 6.2713 7.4212 7.4212 8.2558 8.2558 8.8991 8.8991 12.2148 12.2148 13.5023 13.5023 14.8415 14.8415 15.0947 15.0947 k = 0.4943 0.2986-0.0000 ( 2338 PWs) bands (ev): -4.5669 -4.5663 -4.4170 -4.4109 -2.0425 -2.0390 -1.8443 -1.8427 -1.5730 -1.5386 -1.0016 -0.9744 -0.0888 -0.0877 0.1612 0.1655 0.2718 0.2746 0.4851 0.4935 0.9368 0.9457 1.2840 1.2983 3.7743 3.7763 4.5603 4.5636 6.2647 6.2784 7.3976 7.4373 8.2524 8.2569 8.8949 8.8964 12.2163 12.2213 13.5033 13.5100 14.8403 14.8449 15.0953 15.0955 k = 0.4885 0.3086-0.0000 ( 2338 PWs) bands (ev): -4.5667 -4.5654 -4.4199 -4.4078 -2.0438 -2.0368 -1.8450 -1.8419 -1.5897 -1.5211 -1.0157 -0.9616 -0.0886 -0.0866 0.1595 0.1681 0.2707 0.2763 0.4801 0.4968 0.9333 0.9509 1.2789 1.3075 3.7750 3.7790 4.5588 4.5654 6.2584 6.2862 7.3667 7.4460 8.2467 8.2556 8.8843 8.8871 12.2256 12.2355 13.5129 13.5260 14.8416 14.8508 15.0972 15.0976 k = 0.4828 0.3185-0.0000 ( 2326 PWs) bands (ev): -4.5661 -4.5642 -4.4227 -4.4045 -2.0448 -2.0343 -1.8456 -1.8411 -1.6059 -1.5034 -1.0299 -0.9494 -0.0879 -0.0851 0.1580 0.1709 0.2699 0.2782 0.4748 0.4995 0.9305 0.9567 1.2753 1.3178 3.7768 3.7828 4.5574 4.5672 6.2524 6.2946 7.3289 7.4478 8.2387 8.2518 8.8675 8.8712 12.2425 12.2572 13.5308 13.5498 14.8454 14.8592 15.1007 15.1009 k = 0.4770 0.3285-0.0000 ( 2334 PWs) bands (ev): -4.5652 -4.5627 -4.4253 -4.4011 -2.0456 -2.0316 -1.8463 -1.8403 -1.6218 -1.4857 -1.0442 -0.9381 -0.0866 -0.0833 0.1569 0.1741 0.2693 0.2802 0.4690 0.5015 0.9284 0.9627 1.2731 1.3293 3.7798 3.7877 4.5561 4.5690 6.2463 6.3036 7.2845 7.4430 8.2286 8.2454 8.8448 8.8488 12.2668 12.2861 13.5566 13.5804 14.8519 14.8702 15.1054 15.1056 k = 0.4713 0.3384-0.0000 ( 2334 PWs) bands (ev): -4.5640 -4.5608 -4.4279 -4.3977 -2.0460 -2.0286 -1.8468 -1.8396 -1.6371 -1.4681 -1.0583 -0.9276 -0.0848 -0.0812 0.1560 0.1776 0.2690 0.2823 0.4629 0.5028 0.9271 0.9691 1.2724 1.3417 3.7839 3.7937 4.5548 4.5708 6.2397 6.3131 7.2345 7.4326 8.2163 8.2364 8.8171 8.8206 12.2981 12.3217 13.5894 13.6168 14.8615 14.8842 15.1111 15.1122 k = 0.4655 0.3484-0.0000 ( 2344 PWs) bands (ev): -4.5624 -4.5587 -4.4303 -4.3943 -2.0462 -2.0255 -1.8471 -1.8388 -1.6519 -1.4507 -1.0722 -0.9181 -0.0824 -0.0790 0.1555 0.1813 0.2690 0.2846 0.4566 0.5033 0.9267 0.9758 1.2730 1.3551 3.7893 3.8008 4.5534 4.5724 6.2322 6.3226 7.1798 7.4174 8.2019 8.2246 8.7848 8.7870 12.3357 12.3633 13.6281 13.6578 14.8746 14.9014 15.1177 15.1205 k = 0.4598 0.3584-0.0000 ( 2344 PWs) bands (ev): -4.5604 -4.5562 -4.4327 -4.3908 -2.0461 -2.0222 -1.8474 -1.8380 -1.6660 -1.4336 -1.0855 -0.9096 -0.0794 -0.0766 0.1553 0.1854 0.2692 0.2869 0.4500 0.5031 0.9273 0.9828 1.2750 1.3694 3.7958 3.8090 4.5520 4.5737 6.2235 6.3317 7.1217 7.3986 8.1854 8.2100 8.7484 8.7489 12.3792 12.4104 13.6714 13.7018 14.8919 14.9220 15.1253 15.1310 k = 0.4540 0.3683-0.0000 ( 2344 PWs) bands (ev): -4.5582 -4.5535 -4.4349 -4.3873 -2.0457 -2.0188 -1.8474 -1.8372 -1.6796 -1.4169 -1.0981 -0.9022 -0.0759 -0.0741 0.1554 0.1898 0.2696 0.2894 0.4434 0.5023 0.9287 0.9901 1.2782 1.3843 3.8035 3.8182 4.5502 4.5746 6.2129 6.3398 7.0617 7.3774 8.1670 8.1924 8.7056 8.7100 12.4278 12.4624 13.7176 13.7473 14.9138 14.9458 15.1339 15.1443 k = 0.4483 0.3783-0.0000 ( 2340 PWs) bands (ev): -4.5557 -4.5505 -4.4370 -4.3838 -2.0451 -2.0154 -1.8472 -1.8365 -1.6924 -1.4010 -1.1097 -0.8959 -0.0719 -0.0715 0.1559 0.1946 0.2704 0.2919 0.4367 0.5006 0.9312 0.9976 1.2826 1.3998 3.8124 3.8285 4.5482 4.5750 6.2000 6.3457 7.0016 7.3552 8.1467 8.1720 8.6591 8.6690 12.4810 12.5186 13.7651 13.7926 14.9410 14.9722 15.1436 15.1613 k = 0.4425 0.3882-0.0000 ( 2344 PWs) bands (ev): -4.5530 -4.5474 -4.4391 -4.3803 -2.0442 -2.0119 -1.8468 -1.8357 -1.7047 -1.3861 -1.1200 -0.8908 -0.0689 -0.0676 0.1569 0.1997 0.2713 0.2944 0.4300 0.4983 0.9346 1.0054 1.2879 1.4158 3.8225 3.8398 4.5456 4.5748 6.1842 6.3477 6.9441 7.3332 8.1245 8.1486 8.6096 8.6266 12.5381 12.5783 13.8119 13.8361 14.9735 15.0000 15.1550 15.1837 k = 0.4368 0.3982-0.0000 ( 2346 PWs) bands (ev): -4.5500 -4.5440 -4.4411 -4.3769 -2.0432 -2.0086 -1.8461 -1.8349 -1.7161 -1.3723 -1.1288 -0.8869 -0.0663 -0.0630 0.1582 0.2051 0.2725 0.2970 0.4233 0.4953 0.9391 1.0135 1.2940 1.4321 3.8338 3.8522 4.5425 4.5736 6.1650 6.3436 6.8920 7.3127 8.1007 8.1225 8.5575 8.5833 12.5985 12.6410 13.8564 13.8764 15.0108 15.0270 15.1693 15.2140 k = 0.4310 0.4081-0.0000 ( 2344 PWs) bands (ev): -4.5469 -4.5405 -4.4430 -4.3735 -2.0419 -2.0054 -1.8450 -1.8341 -1.7269 -1.3601 -1.1356 -0.8841 -0.0637 -0.0582 0.1601 0.2108 0.2739 0.2997 0.4167 0.4917 0.9446 1.0218 1.3006 1.4486 3.8464 3.8656 4.5386 4.5715 6.1422 6.3309 6.8488 7.2950 8.0753 8.0938 8.5036 8.5397 12.6615 12.7060 13.8969 13.9123 15.0502 15.0508 15.1895 15.2543 k = 0.4253 0.4181-0.0000 ( 2348 PWs) bands (ev): -4.5436 -4.5369 -4.4448 -4.3703 -2.0405 -2.0024 -1.8436 -1.8333 -1.7370 -1.3498 -1.1400 -0.8825 -0.0612 -0.0534 0.1624 0.2167 0.2755 0.3023 0.4103 0.4875 0.9511 1.0305 1.3076 1.4652 3.8601 3.8801 4.5338 4.5681 6.1154 6.3073 6.8176 7.2810 8.0485 8.0629 8.4483 8.4962 12.7267 12.7729 13.9320 13.9428 15.0700 15.0858 15.2215 15.3056 k = 0.4195 0.4280-0.0000 ( 2352 PWs) bands (ev): -4.5401 -4.5332 -4.4466 -4.3671 -2.0389 -1.9997 -1.8419 -1.8324 -1.7463 -1.3416 -1.1419 -0.8820 -0.0587 -0.0487 0.1652 0.2230 0.2773 0.3050 0.4042 0.4828 0.9586 1.0395 1.3147 1.4816 3.8750 3.8956 4.5279 4.5633 6.0848 6.2720 6.7998 7.2715 8.0205 8.0303 8.3920 8.4529 12.7935 12.8410 13.9609 13.9676 15.0845 15.1114 15.2711 15.3673 k = 0.4138 0.4380-0.0000 ( 2352 PWs) bands (ev): -4.5365 -4.5294 -4.4484 -4.3640 -2.0371 -1.9974 -1.8398 -1.8316 -1.7550 -1.3358 -1.1409 -0.8826 -0.0563 -0.0442 0.1685 0.2294 0.2792 0.3077 0.3984 0.4777 0.9672 1.0488 1.3216 1.4978 3.8911 3.9121 4.5208 4.5569 6.0507 6.2261 6.7951 7.2669 7.9916 7.9967 8.3352 8.4100 12.8615 12.9099 13.9831 13.9864 15.0948 15.1269 15.3376 15.4374 k = 0.4080 0.4479-0.0000 ( 2348 PWs) bands (ev): -4.5329 -4.5256 -4.4502 -4.3611 -2.0352 -1.9954 -1.8374 -1.8307 -1.7629 -1.3322 -1.1371 -0.8843 -0.0540 -0.0400 0.1723 0.2361 0.2813 0.3104 0.3930 0.4721 0.9768 1.0584 1.3281 1.5135 3.9084 3.9297 4.5123 4.5487 6.0134 6.1723 6.8014 7.2675 7.9621 7.9626 8.2783 8.3674 12.9302 12.9792 13.9986 13.9993 15.1018 15.1355 15.4163 15.5141 k = 0.4023 0.4579-0.0000 ( 2348 PWs) bands (ev): -4.5292 -4.5218 -4.4519 -4.3584 -2.0332 -1.9938 -1.8347 -1.8297 -1.7701 -1.3306 -1.1308 -0.8870 -0.0517 -0.0363 0.1764 0.2429 0.2836 0.3129 0.3882 0.4662 0.9873 1.0684 1.3340 1.5286 3.9268 3.9482 4.5022 4.5385 5.9739 6.1137 6.8164 7.2733 7.9290 7.9321 8.2217 8.3248 12.9992 13.0484 14.0065 14.0075 15.1059 15.1397 15.5035 15.5951 k = 0.3966 0.4679-0.0000 ( 2348 PWs) bands (ev): -4.5255 -4.5181 -4.4536 -4.3558 -2.0310 -1.9927 -1.8318 -1.8287 -1.7766 -1.3305 -1.1224 -0.8907 -0.0495 -0.0331 0.1808 0.2497 0.2859 0.3152 0.3840 0.4600 0.9988 1.0787 1.3389 1.5429 3.9464 3.9677 4.4905 4.5262 5.9328 6.0530 6.8380 7.2840 7.8965 7.9019 8.1657 8.2822 13.0681 13.1172 14.0084 14.0102 15.1076 15.1406 15.5959 15.6787 k = 0.3908 0.4778-0.0000 ( 2344 PWs) bands (ev): -4.5219 -4.5145 -4.4554 -4.3535 -2.0288 -1.9920 -1.8288 -1.8277 -1.7825 -1.3315 -1.1122 -0.8952 -0.0474 -0.0305 0.1854 0.2566 0.2883 0.3173 0.3807 0.4537 1.0112 1.0893 1.3427 1.5562 3.9671 3.9881 4.4769 4.5117 5.8912 5.9922 6.8645 7.2994 7.8659 7.8717 8.1109 8.2393 13.1367 13.1852 14.0052 14.0072 15.1071 15.1389 15.6913 15.7630 k = 0.3851 0.4878-0.0000 ( 2344 PWs) bands (ev): -4.5183 -4.5110 -4.4571 -4.3513 -2.0265 -1.9918 -1.8266 -1.8257 -1.7877 -1.3332 -1.1008 -0.9007 -0.0454 -0.0284 0.1900 0.2634 0.2909 0.3188 0.3783 0.4472 1.0245 1.1000 1.3452 1.5683 3.9889 4.0095 4.4614 4.4948 5.8500 5.9333 6.8948 7.3190 7.8378 7.8415 8.0578 8.1961 13.2045 13.2522 13.9973 13.9990 15.1048 15.1350 15.7872 15.8462 k = 0.3793 0.4977-0.0000 ( 2344 PWs) bands (ev): -4.5149 -4.5076 -4.4588 -4.3494 -2.0241 -1.9919 -1.8255 -1.8226 -1.7923 -1.3351 -1.0886 -0.9070 -0.0435 -0.0269 0.1946 0.2700 0.2934 0.3198 0.3770 0.4406 1.0385 1.1109 1.3461 1.5792 4.0118 4.0319 4.4439 4.4755 5.8102 5.8774 6.9280 7.3422 7.8109 7.8131 8.0073 8.1522 13.2713 13.3176 13.9850 13.9858 15.1010 15.1292 15.8814 15.9267 k = 0.3736 0.5077-0.0000 ( 2340 PWs) bands (ev): -4.5116 -4.5045 -4.4605 -4.3476 -2.0216 -1.9924 -1.8244 -1.8196 -1.7963 -1.3371 -1.0757 -0.9142 -0.0416 -0.0259 0.1990 0.2764 0.2960 0.3199 0.3770 0.4341 1.0532 1.1217 1.3454 1.5886 4.0357 4.0552 4.4243 4.4539 5.7727 5.8257 6.9631 7.3686 7.7794 7.7923 7.9607 8.1078 13.3368 13.3814 13.9681 13.9687 15.0961 15.1220 15.9716 16.0029 k = 0.3678 0.5176-0.0000 ( 2342 PWs) bands (ev): -4.5084 -4.5016 -4.4622 -4.3462 -2.0192 -1.9933 -1.8233 -1.8169 -1.7998 -1.3388 -1.0625 -0.9220 -0.0398 -0.0255 0.2029 0.2824 0.2985 0.3194 0.3782 0.4276 1.0683 1.1321 1.3430 1.5964 4.0608 4.0794 4.4027 4.4299 5.7385 5.7791 6.9995 7.3975 7.7462 7.7758 7.9195 8.0628 13.4006 13.4431 13.9462 13.9485 15.0905 15.1137 16.0554 16.0733 k = 0.3621 0.5276-0.0000 ( 2342 PWs) bands (ev): -4.5055 -4.4991 -4.4638 -4.3449 -2.0166 -1.9945 -1.8222 -1.8144 -1.8027 -1.3403 -1.0492 -0.9307 -0.0381 -0.0254 0.2065 0.2880 0.3010 0.3182 0.3803 0.4213 1.0837 1.1419 1.3389 1.6026 4.0869 4.1045 4.3791 4.4036 5.7082 5.7384 7.0362 7.4281 7.7108 7.7644 7.8852 8.0173 13.4625 13.5025 13.9203 13.9247 15.0848 15.1049 16.1304 16.1366 k = 0.3563 0.5375-0.0000 ( 2346 PWs) bands (ev): -4.5028 -4.4971 -4.4653 -4.3439 -2.0141 -1.9960 -1.8212 -1.8124 -1.8050 -1.3414 -1.0359 -0.9400 -0.0364 -0.0258 0.2095 0.2931 0.3033 0.3165 0.3831 0.4154 1.0991 1.1506 1.3336 1.6073 4.1143 4.1307 4.3536 4.3754 5.6827 5.7040 7.0722 7.4595 7.6733 7.7584 7.8586 7.9716 13.5220 13.5593 13.8907 13.8973 15.0794 15.0959 16.1913 16.1942 k = 0.3506 0.5475-0.0000 ( 2354 PWs) bands (ev): -4.5005 -4.4956 -4.4665 -4.3431 -2.0116 -1.9978 -1.8204 -1.8108 -1.8068 -1.3422 -1.0226 -0.9500 -0.0348 -0.0265 0.2119 0.2977 0.3053 0.3144 0.3864 0.4098 1.1142 1.1572 1.3276 1.6104 4.1428 4.1578 4.3263 4.3453 5.6625 5.6765 7.1059 7.4903 7.6355 7.7583 7.8397 7.9265 13.5789 13.6132 13.8575 13.8666 15.0748 15.0875 16.2362 16.2446 k = 0.3448 0.5574-0.0000 ( 2346 PWs) bands (ev): -4.4984 -4.4947 -4.4675 -4.3426 -2.0091 -1.9997 -1.8197 -1.8096 -1.8080 -1.3426 -1.0095 -0.9607 -0.0332 -0.0275 0.2137 0.3016 0.3069 0.3122 0.3900 0.4048 1.1285 1.1607 1.3218 1.6123 4.1726 4.1860 4.2976 4.3138 5.6481 5.6563 7.1347 7.5190 7.6005 7.7645 7.8280 7.8832 13.6326 13.6639 13.8212 13.8325 15.0715 15.0801 16.2702 16.2798 k = 0.3391 0.5674-0.0000 ( 2356 PWs) bands (ev): -4.4967 -4.4946 -4.4681 -4.3423 -2.0067 -2.0019 -1.8194 -1.8090 -1.8087 -1.3428 -0.9967 -0.9721 -0.0317 -0.0288 0.2147 0.3050 0.3079 0.3100 0.3935 0.4004 1.1416 1.1596 1.3175 1.6130 4.2039 4.2151 4.2676 4.2813 5.6399 5.6435 7.1552 7.5425 7.5727 7.7764 7.8226 7.8447 13.6816 13.7112 13.7830 13.7952 15.0701 15.0744 16.2923 16.2990 k = 0.3333 0.5774-0.0000 ( 2364 PWs) bands (ev): -4.4954 -4.4954 -4.4683 -4.3422 -2.0043 -2.0043 -1.8193 -1.8088 -1.8088 -1.3428 -0.9842 -0.9842 -0.0302 -0.0302 0.2151 0.3077 0.3077 0.3082 0.3968 0.3968 1.1528 1.1528 1.3159 1.6132 4.2348 4.2385 4.2385 4.2551 5.6381 5.6381 7.1628 7.5570 7.5570 7.7862 7.8229 7.8229 13.7125 13.7537 13.7558 13.7558 15.0709 15.0709 16.3024 16.3024 k = 0.3333 0.5774-0.0000 ( 2364 PWs) bands (ev): -4.4954 -4.4954 -4.4683 -4.3422 -2.0043 -2.0043 -1.8193 -1.8088 -1.8088 -1.3428 -0.9842 -0.9842 -0.0302 -0.0302 0.2151 0.3077 0.3077 0.3082 0.3968 0.3968 1.1528 1.1528 1.3159 1.6132 4.2348 4.2385 4.2385 4.2551 5.6381 5.6381 7.1628 7.5570 7.5570 7.7862 7.8229 7.8229 13.7125 13.7537 13.7558 13.7558 15.0709 15.0709 16.3024 16.3024 k = 0.3276 0.5674-0.0000 ( 2354 PWs) bands (ev): -4.4969 -4.4944 -4.4681 -4.3423 -2.0067 -2.0019 -1.8194 -1.8091 -1.8085 -1.3428 -0.9968 -0.9720 -0.0317 -0.0287 0.2147 0.3055 0.3075 0.3099 0.3941 0.3998 1.1395 1.1614 1.3176 1.6132 4.2050 4.2113 4.2714 4.2806 5.6404 5.6430 7.1546 7.5569 7.5572 7.7781 7.8285 7.8388 13.6820 13.7112 13.7831 13.7945 15.0703 15.0744 16.2914 16.3008 k = 0.3218 0.5574-0.0000 ( 2350 PWs) bands (ev): -4.4991 -4.4940 -4.4677 -4.3425 -2.0093 -1.9996 -1.8195 -1.8099 -1.8080 -1.3430 -1.0102 -0.9602 -0.0333 -0.0273 0.2137 0.3033 0.3057 0.3115 0.3923 0.4023 1.1200 1.1668 1.3222 1.6137 4.1733 4.1776 4.3078 4.3143 5.6499 5.6546 7.1305 7.5389 7.5734 7.7758 7.8388 7.8718 13.6337 13.6646 13.8207 13.8301 15.0730 15.0809 16.2681 16.2883 k = 0.3161 0.5475-0.0000 ( 2361 PWs) bands (ev): -4.5019 -4.4940 -4.4672 -4.3430 -2.0120 -1.9974 -1.8198 -1.8112 -1.8074 -1.3434 -1.0242 -0.9488 -0.0351 -0.0259 0.2118 0.3013 0.3029 0.3125 0.3913 0.4042 1.0952 1.1682 1.3290 1.6151 4.1418 4.1440 4.3463 4.3502 5.6667 5.6727 7.0941 7.5053 7.6024 7.7868 7.8537 7.9117 13.5807 13.6150 13.8553 13.8615 15.0795 15.0905 16.2351 16.2665 k = 0.3103 0.5375-0.0000 ( 2357 PWs) bands (ev): -4.5052 -4.4945 -4.4666 -4.3437 -2.0147 -1.9953 -1.8201 -1.8128 -1.8067 -1.3442 -1.0389 -0.9380 -0.0368 -0.0246 0.2093 0.2992 0.2993 0.3129 0.3910 0.4056 1.0659 1.1652 1.3370 1.6178 4.1109 4.1112 4.3871 4.3883 5.6903 5.6973 7.0494 7.4620 7.6405 7.8078 7.8729 7.9561 13.5242 13.5624 13.8856 13.8886 15.0900 15.1034 16.1949 16.2373 k = 0.3046 0.5276-0.0000 ( 2353 PWs) bands (ev): -4.5091 -4.4956 -4.4660 -4.3445 -2.0176 -1.9933 -1.8204 -1.8148 -1.8060 -1.3456 -1.0543 -0.9276 -0.0386 -0.0233 0.2061 0.2947 0.2974 0.3127 0.3915 0.4063 1.0330 1.1574 1.3456 1.6222 4.0799 4.0810 4.4286 4.4303 5.7206 5.7282 6.9996 7.4130 7.6847 7.8356 7.8962 8.0039 13.4644 13.5068 13.9114 13.9115 15.1047 15.1195 16.1498 16.2022 k = 0.2989 0.5176-0.0000 ( 2349 PWs) bands (ev): -4.5133 -4.4973 -4.4656 -4.3454 -2.0204 -1.9914 -1.8207 -1.8172 -1.8052 -1.3478 -1.0704 -0.9178 -0.0403 -0.0221 0.2022 0.2894 0.2955 0.3117 0.3923 0.4063 0.9972 1.1447 1.3542 1.6283 4.0503 4.0527 4.4714 4.4760 5.7569 5.7650 6.9469 7.3609 7.7331 7.8683 7.9232 8.0540 13.4015 13.4483 13.9300 13.9325 15.1236 15.1388 16.1018 16.1631 k = 0.2931 0.5077-0.0000 ( 2353 PWs) bands (ev): -4.5180 -4.4995 -4.4652 -4.3465 -2.0233 -1.9897 -1.8213 -1.8198 -1.8044 -1.3508 -1.0872 -0.9086 -0.0420 -0.0209 0.1976 0.2836 0.2935 0.3100 0.3936 0.4057 0.9592 1.1275 1.3621 1.6357 4.0230 4.0263 4.5167 4.5243 5.7990 5.8076 6.8928 7.3072 7.7842 7.9050 7.9536 8.1060 13.3355 13.3870 13.9445 13.9489 15.1467 15.1611 16.0525 16.1212 k = 0.2874 0.4977-0.0000 ( 2353 PWs) bands (ev): -4.5230 -4.5024 -4.4650 -4.3477 -2.0263 -1.9881 -1.8228 -1.8221 -1.8034 -1.3548 -1.1046 -0.9000 -0.0437 -0.0198 0.1923 0.2773 0.2916 0.3075 0.3951 0.4044 0.9194 1.1060 1.3690 1.6441 3.9984 4.0022 4.5647 4.5753 5.8464 5.8555 6.8384 7.2527 7.8375 7.9451 7.9874 8.1593 13.2667 13.3229 13.9550 13.9606 15.1737 15.1861 16.0032 16.0779 k = 0.2816 0.4878-0.0000 ( 2351 PWs) bands (ev): -4.5284 -4.5059 -4.4650 -4.3490 -2.0292 -1.9867 -1.8259 -1.8231 -1.8023 -1.3599 -1.1228 -0.8921 -0.0454 -0.0188 0.1864 0.2707 0.2895 0.3042 0.3967 0.4026 0.8785 1.0809 1.3746 1.6529 3.9769 3.9807 4.6155 4.6291 5.8984 5.9085 6.7847 7.1983 7.8922 7.9882 8.0241 8.2137 13.1951 13.2561 13.9616 13.9679 15.2041 15.2135 15.9550 16.0342 k = 0.2759 0.4778-0.0000 ( 2351 PWs) bands (ev): -4.5343 -4.5101 -4.4652 -4.3504 -2.0322 -1.9855 -1.8293 -1.8246 -1.8010 -1.3662 -1.1417 -0.8849 -0.0470 -0.0178 0.1799 0.2638 0.2873 0.3002 0.3984 0.4001 0.8369 1.0528 1.3787 1.6616 3.9587 3.9623 4.6690 4.6856 5.9545 5.9660 6.7325 7.1444 7.9481 8.0339 8.0637 8.2687 13.1210 13.1867 13.9646 13.9709 15.2375 15.2429 15.9088 15.9908 k = 0.2701 0.4679-0.0000 ( 2355 PWs) bands (ev): -4.5405 -4.5149 -4.4655 -4.3519 -2.0351 -1.9845 -1.8329 -1.8265 -1.7995 -1.3738 -1.1612 -0.8785 -0.0486 -0.0170 0.1727 0.2566 0.2849 0.2953 0.3972 0.4000 0.7950 1.0221 1.3810 1.6697 3.9441 3.9469 4.7253 4.7448 6.0139 6.0279 6.6829 7.0916 8.0048 8.0820 8.1057 8.3243 13.0443 13.1148 13.9640 13.9698 15.2731 15.2739 15.8657 15.9486 k = 0.2644 0.4579-0.0000 ( 2349 PWs) bands (ev): -4.5472 -4.5204 -4.4660 -4.3535 -2.0380 -1.9836 -1.8366 -1.8288 -1.7978 -1.3828 -1.1815 -0.8727 -0.0501 -0.0163 0.1650 0.2492 0.2823 0.2897 0.3938 0.4015 0.7532 0.9896 1.3813 1.6767 3.9331 3.9349 4.7844 4.8068 6.0753 6.0935 6.6371 7.0404 8.0622 8.1323 8.1499 8.3801 12.9653 13.0406 13.9601 13.9648 15.3062 15.3102 15.8263 15.9081 k = 0.2586 0.4479-0.0000 ( 2349 PWs) bands (ev): -4.5542 -4.5266 -4.4667 -4.3552 -2.0409 -1.9830 -1.8405 -1.8316 -1.7958 -1.3932 -1.2024 -0.8678 -0.0516 -0.0157 0.1567 0.2416 0.2794 0.2834 0.3900 0.4028 0.7120 0.9557 1.3795 1.6823 3.9259 3.9263 4.8462 4.8713 6.1369 6.1625 6.5972 6.9915 8.1201 8.1845 8.1961 8.4361 12.8842 12.9641 13.9528 13.9560 15.3393 15.3476 15.7919 15.8699 k = 0.2529 0.4380-0.0000 ( 2349 PWs) bands (ev): -4.5617 -4.5335 -4.4676 -4.3570 -2.0438 -1.9826 -1.8445 -1.8350 -1.7936 -1.4051 -1.2239 -0.8637 -0.0531 -0.0152 0.1479 0.2339 0.2762 0.2764 0.3859 0.4039 0.6716 0.9209 1.3758 1.6862 3.9210 3.9224 4.9107 4.9384 6.1954 6.2344 6.5666 6.9453 8.1784 8.2384 8.2439 8.4920 12.8011 12.8856 13.9422 13.9435 15.3729 15.3839 15.7637 15.8346 k = 0.2471 0.4280-0.0000 ( 2349 PWs) bands (ev): -4.5697 -4.5411 -4.4687 -4.3589 -2.0467 -1.9823 -1.8486 -1.8388 -1.7912 -1.4184 -1.2461 -0.8603 -0.0546 -0.0150 0.1387 0.2260 0.2687 0.2726 0.3817 0.4045 0.6324 0.8856 1.3699 1.6882 3.9188 3.9223 4.9778 5.0078 6.2447 6.3085 6.5517 6.9028 8.2370 8.2931 8.2937 8.5478 12.7163 12.8051 13.9274 13.9285 15.4064 15.4171 15.7436 15.8026 k = 0.2414 0.4181-0.0000 ( 2345 PWs) bands (ev): -4.5781 -4.5494 -4.4700 -4.3609 -2.0495 -1.9823 -1.8529 -1.8430 -1.7886 -1.4331 -1.2687 -0.8578 -0.0561 -0.0150 0.1290 0.2180 0.2605 0.2686 0.3772 0.4048 0.5947 0.8501 1.3621 1.6883 3.9196 3.9253 5.0474 5.0795 6.2760 6.3839 6.5612 6.8651 8.2960 8.3434 8.3503 8.6032 12.6299 12.7230 13.9076 13.9115 15.4394 15.4447 15.7338 15.7745 k = 0.2356 0.4081-0.0000 ( 2337 PWs) bands (ev): -4.5869 -4.5584 -4.4714 -4.3631 -2.0522 -1.9825 -1.8572 -1.8478 -1.7858 -1.4493 -1.2918 -0.8561 -0.0577 -0.0152 0.1190 0.2099 0.2518 0.2642 0.3728 0.4045 0.5588 0.8149 1.3524 1.6864 3.9228 3.9311 5.1193 5.1534 6.2857 6.4590 6.5991 6.8339 8.3551 8.3946 8.4079 8.6582 12.5421 12.6393 13.8843 13.8912 15.4645 15.4712 15.7362 15.7509 k = 0.2299 0.3982-0.0000 ( 2341 PWs) bands (ev): -4.5962 -4.5680 -4.4730 -4.3654 -2.0550 -1.9830 -1.8616 -1.8530 -1.7829 -1.4668 -1.3153 -0.8552 -0.0593 -0.0158 0.1087 0.2016 0.2426 0.2593 0.3683 0.4034 0.5248 0.7800 1.3411 1.6826 3.9282 3.9391 5.1935 5.2293 6.2805 6.5305 6.6590 6.8128 8.4143 8.4464 8.4664 8.7127 12.4532 12.5542 13.8571 13.8676 15.4757 15.5010 15.7325 15.7512 k = 0.2241 0.3882-0.0000 ( 2341 PWs) bands (ev): -4.6060 -4.5783 -4.4748 -4.3679 -2.0577 -1.9836 -1.8661 -1.8586 -1.7800 -1.4857 -1.3390 -0.8551 -0.0611 -0.0167 0.0982 0.1934 0.2331 0.2540 0.3638 0.4013 0.4934 0.7458 1.3283 1.6770 3.9351 3.9488 5.2698 5.3070 6.2693 6.5910 6.7320 6.8093 8.4736 8.4986 8.5254 8.7665 12.3633 12.4679 13.8262 13.8405 15.4803 15.5276 15.7206 15.7765 k = 0.2184 0.3783-0.0000 ( 2345 PWs) bands (ev): -4.6162 -4.5893 -4.4768 -4.3705 -2.0603 -1.9844 -1.8707 -1.8646 -1.7770 -1.5057 -1.3628 -0.8558 -0.0631 -0.0180 0.0877 0.1850 0.2233 0.2481 0.3594 0.3976 0.4652 0.7125 1.3143 1.6697 3.9430 3.9595 5.3481 5.3864 6.2580 6.6293 6.8126 6.8350 8.5327 8.5511 8.5849 8.8196 12.2727 12.3807 13.7913 13.8099 15.4812 15.5498 15.7164 15.8085 k = 0.2126 0.3683-0.0000 ( 2345 PWs) bands (ev): -4.6269 -4.6008 -4.4790 -4.3734 -2.0629 -1.9855 -1.8754 -1.8709 -1.7742 -1.5268 -1.3866 -0.8572 -0.0654 -0.0199 0.0773 0.1767 0.2133 0.2419 0.3550 0.3906 0.4417 0.6802 1.2994 1.6610 3.9512 3.9706 5.4282 5.4674 6.2498 6.6444 6.8911 6.8978 8.5914 8.6040 8.6446 8.8719 12.1816 12.2927 13.7524 13.7757 15.4813 15.5667 15.7207 15.8438 k = 0.2069 0.3584-0.0000 ( 2349 PWs) bands (ev): -4.6381 -4.6130 -4.4813 -4.3764 -2.0654 -1.9868 -1.8802 -1.8776 -1.7715 -1.5489 -1.4102 -0.8594 -0.0680 -0.0223 0.0670 0.1685 0.2033 0.2351 0.3507 0.3781 0.4253 0.6492 1.2837 1.6510 3.9591 3.9813 5.5100 5.5497 6.2465 6.6489 6.9652 6.9859 8.6487 8.6579 8.7044 8.9233 12.0901 12.2041 13.7095 13.7378 15.4823 15.5787 15.7331 15.8797 k = 0.2011 0.3484-0.0000 ( 2349 PWs) bands (ev): -4.6498 -4.6257 -4.4838 -4.3796 -2.0678 -1.9882 -1.8851 -1.8846 -1.7690 -1.5718 -1.4333 -0.8622 -0.0710 -0.0253 0.0570 0.1603 0.1932 0.2280 0.3462 0.3603 0.4158 0.6196 1.2676 1.6399 3.9660 3.9911 5.5933 5.6332 6.2493 6.6527 7.0475 7.0759 8.7030 8.7142 8.7641 8.9737 11.9985 12.1152 13.6625 13.6961 15.4856 15.5878 15.7514 15.9141 k = 0.1954 0.3384-0.0000 ( 2349 PWs) bands (ev): -4.6619 -4.6390 -4.4864 -4.3830 -2.0702 -1.9899 -1.8918 -1.8900 -1.7671 -1.5954 -1.4557 -0.8657 -0.0746 -0.0290 0.0476 0.1522 0.1833 0.2206 0.3403 0.3416 0.4101 0.5916 1.2513 1.6279 3.9716 3.9992 5.6779 5.7177 6.2591 6.6602 7.1338 7.1671 8.7550 8.7719 8.8235 9.0230 11.9070 12.0261 13.6113 13.6507 15.4919 15.5964 15.7733 15.9455 k = 0.1897 0.3285-0.0000 ( 2357 PWs) bands (ev): -4.6745 -4.6528 -4.4892 -4.3867 -2.0725 -1.9918 -1.8992 -1.8951 -1.7658 -1.6196 -1.4771 -0.8699 -0.0788 -0.0334 0.0388 0.1442 0.1736 0.2130 0.3202 0.3367 0.4060 0.5654 1.2349 1.6152 3.9751 4.0053 5.7638 5.8030 6.2763 6.6734 7.2221 7.2589 8.8059 8.8298 8.8823 9.0712 11.8157 11.9370 13.5560 13.6015 15.5017 15.6063 15.7969 15.9725 k = 0.1839 0.3185-0.0000 ( 2359 PWs) bands (ev): -4.6875 -4.6671 -4.4922 -4.3906 -2.0748 -1.9939 -1.9068 -1.9002 -1.7654 -1.6441 -1.4970 -0.8746 -0.0839 -0.0386 0.0308 0.1362 0.1642 0.2052 0.3009 0.3313 0.4027 0.5412 1.2188 1.6018 3.9763 4.0089 5.8507 5.8890 6.3014 6.6932 7.3112 7.3509 8.8558 8.8873 8.9406 9.1183 11.7248 11.8480 13.4967 13.5485 15.5153 15.6185 15.8212 15.9947 k = 0.1782 0.3086-0.0000 ( 2359 PWs) bands (ev): -4.7009 -4.6819 -4.4952 -4.3948 -2.0769 -1.9961 -1.9146 -1.9054 -1.7663 -1.6688 -1.5152 -0.8800 -0.0897 -0.0446 0.0236 0.1281 0.1555 0.1972 0.2828 0.3251 0.3998 0.5192 1.2030 1.5880 3.9749 4.0095 5.9385 5.9755 6.3344 6.7203 7.4005 7.4425 8.9048 8.9442 8.9981 9.1641 11.6346 11.7595 13.4333 13.4917 15.5329 15.6337 15.8454 16.0119 k = 0.1724 0.2986-0.0000 ( 2355 PWs) bands (ev): -4.7146 -4.6970 -4.4984 -4.3991 -2.0790 -1.9986 -1.9224 -1.9106 -1.7688 -1.6935 -1.5311 -0.8859 -0.0964 -0.0513 0.0174 0.1193 0.1477 0.1893 0.2660 0.3181 0.3972 0.4996 1.1877 1.5738 3.9707 4.0072 6.0271 6.0624 6.3755 6.7549 7.4894 7.5335 8.9530 9.0003 9.0546 9.2086 11.5452 11.6715 13.3662 13.4314 15.5546 15.6522 15.8693 16.0247 k = 0.1667 0.2887-0.0000 ( 2349 PWs) bands (ev): -4.7288 -4.7125 -4.5018 -4.4038 -2.0809 -2.0012 -1.9302 -1.9160 -1.7731 -1.7181 -1.5444 -0.8923 -0.1039 -0.0586 0.0121 0.1098 0.1411 0.1814 0.2504 0.3100 0.3951 0.4826 1.1731 1.5594 3.9638 4.0017 6.1163 6.1495 6.4244 6.7968 7.5775 7.6234 9.0002 9.0555 9.1101 9.2518 11.4568 11.5843 13.2953 13.3674 15.5803 15.6740 15.8928 16.0339 k = 0.1609 0.2787-0.0000 ( 2345 PWs) bands (ev): -4.7432 -4.7283 -4.5052 -4.4086 -2.0828 -2.0041 -1.9380 -1.9214 -1.7795 -1.7425 -1.5547 -0.8993 -0.1121 -0.0666 0.0077 0.0993 0.1358 0.1736 0.2361 0.3006 0.3933 0.4683 1.1591 1.5448 3.9541 3.9931 6.2059 6.2368 6.4807 6.8459 7.6646 7.7118 9.0465 9.1096 9.1643 9.2937 11.3694 11.4979 13.2210 13.3000 15.6098 15.6989 15.9161 16.0408 k = 0.1552 0.2688-0.0000 ( 2349 PWs) bands (ev): -4.7579 -4.7444 -4.5087 -4.4137 -2.0846 -2.0071 -1.9458 -1.9269 -1.7881 -1.7665 -1.5618 -0.9067 -0.1209 -0.0751 0.0040 0.0879 0.1317 0.1660 0.2230 0.2901 0.3920 0.4566 1.1459 1.5300 3.9418 3.9815 6.2958 6.3243 6.5440 6.9020 7.7500 7.7985 9.0918 9.1626 9.2171 9.3341 11.2833 11.4124 13.1433 13.2293 15.6427 15.7264 15.9398 16.0466 k = 0.1494 0.2588-0.0000 ( 2349 PWs) bands (ev): -4.7729 -4.7606 -4.5123 -4.4191 -2.0863 -2.0104 -1.9535 -1.9325 -1.7987 -1.7900 -1.5659 -0.9147 -0.1302 -0.0841 0.0009 0.0758 0.1286 0.1586 0.2111 0.2786 0.3911 0.4474 1.1335 1.5151 3.9272 3.9672 6.3859 6.4120 6.6137 6.9647 7.8337 7.8831 9.1360 9.2143 9.2685 9.3731 11.1986 11.3282 13.0626 13.1555 15.6786 15.7557 15.9645 16.0527 k = 0.1437 0.2489-0.0000 ( 2345 PWs) bands (ev): -4.7880 -4.7770 -4.5160 -4.4246 -2.0879 -2.0139 -1.9610 -1.9382 -1.8128 -1.8109 -1.5671 -0.9231 -0.1398 -0.0934 -0.0017 0.0633 0.1264 0.1514 0.2001 0.2664 0.3908 0.4404 1.1220 1.5001 3.9105 3.9503 6.4760 6.4999 6.6890 7.0335 7.9153 7.9653 9.1791 9.2646 9.3183 9.4105 11.1155 11.2452 12.9791 13.0788 15.7165 15.7855 15.9914 16.0606 k = 0.1379 0.2389-0.0000 ( 2337 PWs) bands (ev): -4.8033 -4.7935 -4.5197 -4.4304 -2.0893 -2.0176 -1.9683 -1.9440 -1.8349 -1.8245 -1.5659 -0.9320 -0.1496 -0.1029 -0.0039 0.0504 0.1248 0.1445 0.1901 0.2538 0.3911 0.4353 1.1113 1.4851 3.8920 3.9313 6.5660 6.5881 6.7693 7.1079 7.9946 8.0448 9.2213 9.3133 9.3664 9.4466 11.0340 11.1637 12.8931 12.9994 15.7550 15.8144 16.0221 16.0721 k = 0.1322 0.2289-0.0000 ( 2335 PWs) bands (ev): -4.8186 -4.8100 -4.5235 -4.4364 -2.0907 -2.0215 -1.9754 -1.9499 -1.8561 -1.8389 -1.5625 -0.9413 -0.1595 -0.1125 -0.0060 0.0373 0.1238 0.1380 0.1809 0.2410 0.3919 0.4318 1.1014 1.4701 3.8721 3.9105 6.6556 6.6765 6.8540 7.1874 8.0712 8.1214 9.2622 9.3606 9.4128 9.4810 10.9544 11.0836 12.8047 12.9175 15.7921 15.8408 16.0579 16.0892 k = 0.1264 0.2190-0.0000 ( 2339 PWs) bands (ev): -4.8339 -4.8264 -4.5273 -4.4425 -2.0919 -2.0257 -1.9823 -1.9559 -1.8763 -1.8537 -1.5573 -0.9511 -0.1694 -0.1223 -0.0081 0.0243 0.1233 0.1318 0.1725 0.2285 0.3932 0.4295 1.0924 1.4549 3.8509 3.8881 6.7448 6.7649 6.9426 7.2714 8.1450 8.1949 9.3020 9.4061 9.4573 9.5139 10.8767 11.0052 12.7142 12.8333 15.8252 15.8634 16.0999 16.1144 k = 0.1207 0.2090-0.0000 ( 2339 PWs) bands (ev): -4.8492 -4.8427 -4.5310 -4.4488 -2.0930 -2.0301 -1.9888 -1.9621 -1.8954 -1.8687 -1.5506 -0.9613 -0.1790 -0.1321 -0.0102 0.0114 0.1231 0.1259 0.1647 0.2163 0.3952 0.4283 1.0842 1.4397 3.8290 3.8645 6.8333 6.8529 7.0347 7.3594 8.2159 8.2651 9.3407 9.4499 9.4999 9.5452 10.8010 10.9286 12.6219 12.7470 15.8524 15.8817 16.1482 16.1495 k = 0.1149 0.1991-0.0000 ( 2355 PWs) bands (ev): -4.8644 -4.8588 -4.5347 -4.4552 -2.0940 -2.0347 -1.9950 -1.9686 -1.9133 -1.8837 -1.5427 -0.9720 -0.1885 -0.1418 -0.0124 -0.0012 0.1204 0.1231 0.1575 0.2048 0.3977 0.4279 1.0769 1.4245 3.8064 3.8402 6.9208 6.9401 7.1300 7.4508 8.2835 8.3318 9.3781 9.4918 9.5404 9.5749 10.7274 10.8537 12.5280 12.6587 15.8728 15.8960 16.1952 16.2024 k = 0.1092 0.1891-0.0000 ( 2353 PWs) bands (ev): -4.8794 -4.8747 -4.5384 -4.4617 -2.0948 -2.0395 -2.0008 -1.9754 -1.9297 -1.8982 -1.5337 -0.9831 -0.1977 -0.1513 -0.0150 -0.0133 0.1153 0.1234 0.1508 0.1942 0.4007 0.4282 1.0705 1.4092 3.7836 3.8153 7.0072 7.0262 7.2283 7.5452 8.3478 8.3950 9.4143 9.5319 9.5790 9.6030 10.6561 10.7807 12.4330 12.5689 15.8868 15.9067 16.2504 16.2614 k = 0.1034 0.1792-0.0000 ( 2355 PWs) bands (ev): -4.8941 -4.8902 -4.5420 -4.4683 -2.0956 -2.0445 -2.0063 -1.9829 -1.9445 -1.9122 -1.5237 -0.9946 -0.2065 -0.1608 -0.0249 -0.0178 0.1105 0.1237 0.1447 0.1844 0.4041 0.4291 1.0649 1.3938 3.7607 3.7902 7.0922 7.1106 7.3292 7.6420 8.4087 8.4545 9.4492 9.5701 9.6155 9.6294 10.5872 10.7097 12.3369 12.4777 15.8958 15.9144 16.3131 16.3240 k = 0.0977 0.1692-0.0000 ( 2351 PWs) bands (ev): -4.9086 -4.9053 -4.5454 -4.4750 -2.0962 -2.0496 -2.0115 -1.9911 -1.9573 -1.9256 -1.5129 -1.0065 -0.2149 -0.1699 -0.0360 -0.0210 0.1061 0.1240 0.1392 0.1756 0.4079 0.4304 1.0601 1.3783 3.7379 3.7652 7.1755 7.1930 7.4324 7.7407 8.4662 8.5103 9.4828 9.6064 9.6498 9.6544 10.5208 10.6409 12.2401 12.3854 15.9012 15.9197 16.3812 16.3891 k = 0.0920 0.1593-0.0000 ( 2351 PWs) bands (ev): -4.9226 -4.9200 -4.5488 -4.4816 -2.0966 -2.0547 -2.0164 -2.0002 -1.9680 -1.9383 -1.5013 -1.0189 -0.2228 -0.1789 -0.0464 -0.0247 0.1021 0.1238 0.1346 0.1678 0.4121 0.4321 1.0563 1.3628 3.7155 3.7405 7.2569 7.2732 7.5376 7.8408 8.5201 8.5625 9.5150 9.6406 9.6769 9.6829 10.4569 10.5741 12.1429 12.2921 15.9040 15.9230 16.4527 16.4554 k = 0.0862 0.1493-0.0000 ( 2351 PWs) bands (ev): -4.9362 -4.9342 -4.5519 -4.4883 -2.0970 -2.0599 -2.0210 -2.0100 -1.9770 -1.9502 -1.4891 -1.0316 -0.2302 -0.1875 -0.0561 -0.0288 0.0985 0.1224 0.1316 0.1611 0.4165 0.4341 1.0533 1.3471 3.6937 3.7163 7.3359 7.3507 7.6442 7.9416 8.5705 8.6111 9.5458 9.6729 9.6985 9.7130 10.3957 10.5096 12.0457 12.1981 15.9050 15.9246 16.5216 16.5257 k = 0.0805 0.1394-0.0000 ( 2355 PWs) bands (ev): -4.9493 -4.9477 -4.5549 -4.4948 -2.0972 -2.0650 -2.0255 -2.0200 -1.9844 -1.9612 -1.4763 -1.0448 -0.2371 -0.1959 -0.0650 -0.0334 0.0951 0.1194 0.1306 0.1554 0.4211 0.4363 1.0512 1.3314 3.6726 3.6929 7.4124 7.4255 7.7516 8.0427 8.6173 8.6561 9.5752 9.7030 9.7181 9.7411 10.3373 10.4474 11.9489 12.1039 15.9045 15.9246 16.5867 16.5986 k = 0.0747 0.1294-0.0000 ( 2353 PWs) bands (ev): -4.9618 -4.9606 -4.5576 -4.5013 -2.0974 -2.0700 -2.0298 -2.0297 -1.9908 -1.9714 -1.4630 -1.0583 -0.2434 -0.2039 -0.0731 -0.0383 0.0922 0.1157 0.1307 0.1507 0.4257 0.4387 1.0500 1.3157 3.6524 3.6705 7.4860 7.4971 7.8595 8.1434 8.6607 8.6977 9.6030 9.7311 9.7361 9.7672 10.2818 10.3875 11.8528 12.0096 15.9031 15.9235 16.6495 16.6697 k = 0.0690 0.1195-0.0000 ( 2349 PWs) bands (ev): -4.9736 -4.9728 -4.5601 -4.5077 -2.0975 -2.0748 -2.0389 -2.0337 -1.9965 -1.9808 -1.4492 -1.0722 -0.2491 -0.2115 -0.0803 -0.0436 0.0896 0.1118 0.1313 0.1468 0.4304 0.4412 1.0498 1.3000 3.6332 3.6491 7.5564 7.5654 7.9672 8.2429 8.7006 8.7360 9.6293 9.7523 9.7572 9.7912 10.2294 10.3302 11.7581 11.9157 15.9010 15.9214 16.7090 16.7373 k = 0.0632 0.1095-0.0000 ( 2349 PWs) bands (ev): -4.9848 -4.9843 -4.5623 -4.5138 -2.0976 -2.0794 -2.0473 -2.0376 -2.0017 -1.9893 -1.4349 -1.0865 -0.2542 -0.2188 -0.0867 -0.0491 0.0873 0.1080 0.1319 0.1438 0.4350 0.4437 1.0506 1.2842 3.6152 3.6290 7.6230 7.6300 8.0739 8.3406 8.7372 8.7711 9.6540 9.7667 9.7812 9.8131 10.1801 10.2756 11.6653 11.8226 15.8984 15.9184 16.7642 16.8000 k = 0.0575 0.0995-0.0000 ( 2345 PWs) bands (ev): -4.9951 -4.9949 -4.5642 -4.5198 -2.0978 -2.0838 -2.0548 -2.0413 -2.0064 -1.9969 -1.4202 -1.1011 -0.2587 -0.2257 -0.0922 -0.0548 0.0854 0.1044 0.1326 0.1414 0.4394 0.4463 1.0523 1.2685 3.5984 3.6103 7.6857 7.6907 8.1790 8.4356 8.7705 8.8032 9.6771 9.7794 9.8031 9.8330 10.1342 10.2237 11.5753 11.7308 15.8955 15.9148 16.8146 16.8565 k = 0.0517 0.0896-0.0000 ( 2349 PWs) bands (ev): -5.0047 -5.0046 -4.5658 -4.5256 -2.0980 -2.0879 -2.0611 -2.0449 -2.0107 -2.0036 -1.4052 -1.1160 -0.2626 -0.2322 -0.0969 -0.0605 0.0837 0.1011 0.1333 0.1396 0.4436 0.4489 1.0551 1.2528 3.5829 3.5931 7.7439 7.7471 8.2817 8.5268 8.8006 8.8325 9.6985 9.7903 9.8229 9.8507 10.0918 10.1747 11.4888 11.6409 15.8924 15.9108 16.8599 16.9060 k = 0.0460 0.0796-0.0000 ( 2349 PWs) bands (ev): -5.0134 -5.0134 -4.5670 -4.5310 -2.0985 -2.0916 -2.0663 -2.0483 -2.0146 -2.0096 -1.3899 -1.1313 -0.2658 -0.2382 -0.1007 -0.0662 0.0824 0.0980 0.1340 0.1383 0.4474 0.4513 1.0589 1.2373 3.5688 3.5774 7.7973 7.7989 8.3811 8.6131 8.8275 8.8590 9.7182 9.7994 9.8406 9.8663 10.0533 10.1290 11.4069 11.5537 15.8894 15.9064 16.8997 16.9480 k = 0.0402 0.0697-0.0000 ( 2341 PWs) bands (ev): -5.0213 -5.0212 -4.5678 -4.5362 -2.0993 -2.0950 -2.0701 -2.0516 -2.0181 -2.0147 -1.3743 -1.1467 -0.2684 -0.2438 -0.1037 -0.0719 0.0814 0.0951 0.1345 0.1374 0.4510 0.4537 1.0638 1.2219 3.5563 3.5634 7.8455 7.8458 8.4761 8.6932 8.8512 8.8829 9.7362 9.8069 9.8562 9.8798 10.0188 10.0869 11.3310 11.4701 15.8865 15.9020 16.9343 16.9824 k = 0.0345 0.0597-0.0000 ( 2341 PWs) bands (ev): -5.0282 -5.0280 -4.5683 -4.5411 -2.1005 -2.0980 -2.0727 -2.0547 -2.0212 -2.0190 -1.3584 -1.1625 -0.2704 -0.2490 -0.1058 -0.0773 0.0807 0.0925 0.1350 0.1368 0.4541 0.4558 1.0696 1.2068 3.5453 3.5511 7.8875 7.8882 8.5653 8.7655 8.8720 8.9043 9.7526 9.8126 9.8696 9.8911 9.9887 10.0485 11.2623 11.3910 15.8839 15.8976 16.9640 17.0096 k = 0.0287 0.0498-0.0000 ( 2337 PWs) bands (ev): -5.0341 -5.0339 -4.5684 -4.5456 -2.1019 -2.1006 -2.0741 -2.0577 -2.0239 -2.0226 -1.3423 -1.1784 -0.2718 -0.2536 -0.1071 -0.0825 0.0802 0.0901 0.1354 0.1364 0.4568 0.4578 1.0765 1.1920 3.5360 3.5406 7.9235 7.9248 8.6473 8.8278 8.8901 8.9233 9.7672 9.8167 9.8808 9.9000 9.9634 10.0146 11.2026 11.3177 15.8817 15.8934 16.9889 17.0301 k = 0.0230 0.0398-0.0000 ( 2341 PWs) bands (ev): -5.0390 -5.0388 -4.5680 -4.5498 -2.1033 -2.1028 -2.0745 -2.0606 -2.0261 -2.0255 -1.3261 -1.1945 -0.2725 -0.2579 -0.1076 -0.0874 0.0800 0.0880 0.1357 0.1362 0.4589 0.4595 1.0844 1.1776 3.5284 3.5319 7.9536 7.9552 8.7204 8.8757 8.9082 8.9400 9.7801 9.8192 9.8896 9.9060 9.9437 9.9855 11.1535 11.2516 15.8800 15.8896 17.0096 17.0446 k = 0.0172 0.0299-0.0000 ( 2341 PWs) bands (ev): -5.0427 -5.0426 -4.5673 -4.5535 -2.1047 -2.1045 -2.0741 -2.0632 -2.0279 -2.0277 -1.3097 -1.2108 -0.2727 -0.2616 -0.1073 -0.0918 0.0801 0.0861 0.1359 0.1362 0.4606 0.4609 1.0933 1.1636 3.5224 3.5250 7.9774 7.9789 8.7827 8.8994 8.9341 8.9545 9.7913 9.8202 9.8959 9.9077 9.9315 9.9621 11.1167 11.1943 15.8788 15.8861 17.0265 17.0538 k = 0.0115 0.0199-0.0000 ( 2341 PWs) bands (ev): -5.0454 -5.0453 -4.5661 -4.5569 -2.1057 -2.1057 -2.0732 -2.0657 -2.0293 -2.0292 -1.2932 -1.2272 -0.2722 -0.2648 -0.1063 -0.0958 0.0805 0.0845 0.1361 0.1362 0.4618 0.4619 1.1030 1.1502 3.5183 3.5200 7.9948 7.9960 8.8325 8.9059 8.9593 8.9665 9.8007 9.8197 9.8991 9.9041 9.9279 9.9453 11.0936 11.1474 15.8783 15.8832 17.0397 17.0585 k = 0.0057 0.0100-0.0000 ( 2345 PWs) bands (ev): -5.0470 -5.0470 -4.5644 -4.5598 -2.1064 -2.1064 -2.0718 -2.0680 -2.0301 -2.0301 -1.2767 -1.2437 -0.2712 -0.2675 -0.1046 -0.0994 0.0811 0.0831 0.1362 0.1362 0.4625 0.4625 1.1137 1.1373 3.5160 3.5168 8.0055 8.0061 8.8687 8.9035 8.9742 8.9752 9.8082 9.8176 9.8994 9.9001 9.9285 9.9354 11.0852 11.1128 15.8785 15.8810 17.0496 17.0591 k = 0.0000 0.0000 0.0000 ( 2345 PWs) bands (ev): -5.0476 -5.0476 -4.5623 -4.5623 -2.1067 -2.1067 -2.0700 -2.0700 -2.0304 -2.0304 -1.2602 -1.2602 -0.2696 -0.2696 -0.1023 -0.1023 0.0820 0.0820 0.1362 0.1362 0.4628 0.4628 1.1251 1.1251 3.5154 3.5154 8.0093 8.0093 8.8918 8.8918 8.9788 8.9788 9.8138 9.8138 9.8988 9.8988 9.9307 9.9307 11.0917 11.0917 15.8794 15.8794 17.0560 17.0560 k = 0.0000 0.0000 0.0000 ( 2345 PWs) bands (ev): -5.0476 -5.0476 -4.5623 -4.5623 -2.1067 -2.1067 -2.0700 -2.0700 -2.0304 -2.0304 -1.2602 -1.2602 -0.2696 -0.2696 -0.1023 -0.1023 0.0820 0.0820 0.1362 0.1362 0.4628 0.4628 1.1251 1.1251 3.5154 3.5154 8.0093 8.0093 8.8918 8.8918 8.9788 8.9788 9.8138 9.8138 9.8988 9.8988 9.9307 9.9307 11.0917 11.0917 15.8794 15.8794 17.0560 17.0560 k = 0.0000 0.0000 0.0114 ( 2345 PWs) bands (ev): -5.0470 -5.0470 -4.5626 -4.5626 -2.1066 -2.1066 -2.0697 -2.0697 -2.0304 -2.0304 -1.2612 -1.2612 -0.2696 -0.2696 -0.1023 -0.1023 0.0822 0.0822 0.1365 0.1365 0.4625 0.4625 1.1209 1.1209 3.5223 3.5223 8.0049 8.0049 8.8925 8.8925 8.9795 8.9795 9.8172 9.8172 9.8980 9.8980 9.9303 9.9303 11.0918 11.0918 15.8784 15.8784 17.0547 17.0547 k = 0.0000 0.0000 0.0228 ( 2339 PWs) bands (ev): -5.0453 -5.0453 -4.5632 -4.5632 -2.1065 -2.1065 -2.0687 -2.0687 -2.0307 -2.0307 -1.2644 -1.2644 -0.2693 -0.2693 -0.1022 -0.1022 0.0827 0.0827 0.1373 0.1373 0.4617 0.4617 1.1086 1.1086 3.5429 3.5429 7.9919 7.9919 8.8949 8.8949 8.9818 8.9818 9.8269 9.8269 9.8957 9.8957 9.9292 9.9292 11.0923 11.0923 15.8754 15.8754 17.0507 17.0507 k = 0.0000 0.0000 0.0342 ( 2334 PWs) bands (ev): -5.0424 -5.0424 -4.5642 -4.5642 -2.1062 -2.1062 -2.0672 -2.0672 -2.0311 -2.0311 -1.2696 -1.2696 -0.2690 -0.2690 -0.1021 -0.1021 0.0836 0.0836 0.1388 0.1388 0.4603 0.4603 1.0886 1.0886 3.5764 3.5764 7.9706 7.9706 8.8989 8.8989 8.9856 8.9856 9.8415 9.8415 9.8918 9.8918 9.9287 9.9287 11.0930 11.0930 15.8705 15.8705 17.0439 17.0439 k = 0.0000 0.0000 0.0456 ( 2340 PWs) bands (ev): -5.0384 -5.0384 -4.5657 -4.5657 -2.1059 -2.1059 -2.0650 -2.0650 -2.0316 -2.0316 -1.2769 -1.2769 -0.2684 -0.2684 -0.1020 -0.1020 0.0849 0.0849 0.1407 0.1407 0.4584 0.4584 1.0618 1.0618 3.6223 3.6223 7.9415 7.9415 8.9044 8.9044 8.9910 8.9910 9.8576 9.8576 9.8863 9.8863 9.9314 9.9314 11.0939 11.0939 15.8638 15.8638 17.0341 17.0341 k = 0.0000 0.0000 0.0570 ( 2340 PWs) bands (ev): -5.0333 -5.0333 -4.5676 -4.5676 -2.1054 -2.1054 -2.0621 -2.0621 -2.0323 -2.0323 -1.2861 -1.2861 -0.2678 -0.2678 -0.1018 -0.1018 0.0865 0.0865 0.1433 0.1433 0.4560 0.4560 1.0290 1.0290 3.6794 3.6794 7.9050 7.9050 8.9115 8.9115 8.9978 8.9978 9.8684 9.8684 9.8793 9.8793 9.9438 9.9438 11.0951 11.0951 15.8554 15.8554 17.0210 17.0210 k = 0.0000 0.0000 0.0685 ( 2340 PWs) bands (ev): -5.0272 -5.0272 -4.5700 -4.5700 -2.1049 -2.1049 -2.0586 -2.0586 -2.0332 -2.0332 -1.2973 -1.2973 -0.2669 -0.2669 -0.1018 -0.1018 0.0885 0.0885 0.1463 0.1463 0.4531 0.4531 0.9915 0.9915 3.7467 3.7467 7.8618 7.8618 8.9201 8.9201 9.0061 9.0061 9.8693 9.8693 9.8708 9.8708 9.9697 9.9697 11.0965 11.0965 15.8454 15.8454 17.0043 17.0043 k = 0.0000 0.0000 0.0799 ( 2352 PWs) bands (ev): -5.0199 -5.0199 -4.5728 -4.5728 -2.1042 -2.1042 -2.0544 -2.0544 -2.0342 -2.0342 -1.3105 -1.3105 -0.2658 -0.2658 -0.1018 -0.1018 0.0908 0.0908 0.1499 0.1499 0.4497 0.4497 0.9501 0.9501 3.8230 3.8230 7.8125 7.8125 8.9303 8.9303 9.0158 9.0158 9.8608 9.8608 9.8626 9.8626 10.0058 10.0058 11.0979 11.0979 15.8340 15.8340 16.9836 16.9836 k = 0.0000 0.0000 0.0913 ( 2364 PWs) bands (ev): -5.0117 -5.0117 -4.5762 -4.5762 -2.1035 -2.1035 -2.0495 -2.0495 -2.0353 -2.0353 -1.3254 -1.3254 -0.2645 -0.2645 -0.1019 -0.1019 0.0935 0.0935 0.1540 0.1540 0.4457 0.4457 0.9059 0.9059 3.9071 3.9071 7.7577 7.7577 8.9419 8.9419 9.0270 9.0270 9.8494 9.8494 9.8517 9.8517 10.0485 10.0485 11.0994 11.0994 15.8215 15.8215 16.9583 16.9583 k = 0.0000 0.0000 0.1027 ( 2364 PWs) bands (ev): -5.0026 -5.0026 -4.5800 -4.5800 -2.1027 -2.1027 -2.0438 -2.0438 -2.0366 -2.0366 -1.3421 -1.3421 -0.2629 -0.2629 -0.1022 -0.1022 0.0966 0.0966 0.1586 0.1586 0.4413 0.4413 0.8599 0.8599 3.9982 3.9982 7.6979 7.6979 8.9549 8.9549 9.0395 9.0395 9.8365 9.8365 9.8379 9.8379 10.0955 10.0955 11.1009 11.1009 15.8081 15.8081 16.9281 16.9281 k = 0.0000 0.0000 0.1141 ( 2376 PWs) bands (ev): -4.9925 -4.9925 -4.5843 -4.5843 -2.1018 -2.1018 -2.0380 -2.0380 -2.0374 -2.0374 -1.3604 -1.3604 -0.2611 -0.2611 -0.1027 -0.1027 0.1000 0.1000 0.1637 0.1637 0.4364 0.4364 0.8130 0.8130 4.0951 4.0951 7.6335 7.6335 8.9694 8.9694 9.0533 9.0533 9.8219 9.8219 9.8223 9.8223 10.1457 10.1457 11.1023 11.1023 15.7942 15.7942 16.8924 16.8924 k = 0.0000 0.0000 0.1255 ( 2382 PWs) bands (ev): -4.9816 -4.9816 -4.5892 -4.5892 -2.1007 -2.1007 -2.0395 -2.0395 -2.0302 -2.0302 -1.3802 -1.3802 -0.2590 -0.2590 -0.1034 -0.1034 0.1037 0.1037 0.1693 0.1693 0.4311 0.4311 0.7657 0.7657 4.1971 4.1971 7.5650 7.5650 8.9853 8.9853 9.0685 9.0685 9.8041 9.8041 9.8068 9.8068 10.1981 10.1981 11.1033 11.1033 15.7800 15.7800 16.8510 16.8510 k = 0.0000 0.0000 0.1369 ( 2382 PWs) bands (ev): -4.9698 -4.9698 -4.5946 -4.5946 -2.0996 -2.0996 -2.0412 -2.0412 -2.0221 -2.0221 -1.4014 -1.4014 -0.2565 -0.2565 -0.1045 -0.1045 0.1079 0.1079 0.1753 0.1753 0.4253 0.4253 0.7188 0.7188 4.3034 4.3034 7.4927 7.4927 9.0025 9.0025 9.0849 9.0849 9.7847 9.7847 9.7900 9.7900 10.2521 10.2521 11.1041 11.1041 15.7660 15.7660 16.8035 16.8035 k = 0.0000 0.0000 0.1483 ( 2382 PWs) bands (ev): -4.9574 -4.9574 -4.6006 -4.6006 -2.0984 -2.0984 -2.0429 -2.0429 -2.0132 -2.0132 -1.4238 -1.4238 -0.2537 -0.2537 -0.1059 -0.1059 0.1124 0.1124 0.1818 0.1818 0.4191 0.4191 0.6728 0.6728 4.4132 4.4132 7.4168 7.4168 9.0210 9.0210 9.1025 9.1025 9.7638 9.7638 9.7721 9.7721 10.3070 10.3070 11.1043 11.1043 15.7524 15.7524 16.7501 16.7501 k = 0.0000 0.0000 0.1597 ( 2382 PWs) bands (ev): -4.9443 -4.9443 -4.6072 -4.6072 -2.0971 -2.0971 -2.0447 -2.0447 -2.0033 -2.0033 -1.4474 -1.4474 -0.2505 -0.2505 -0.1077 -0.1077 0.1174 0.1174 0.1886 0.1886 0.4125 0.4125 0.6280 0.6280 4.5260 4.5260 7.3375 7.3375 9.0408 9.0408 9.1212 9.1212 9.7415 9.7415 9.7530 9.7530 10.3623 10.3623 11.1038 11.1038 15.7398 15.7398 16.6910 16.6910 k = 0.0000 0.0000 0.1711 ( 2394 PWs) bands (ev): -4.9306 -4.9306 -4.6144 -4.6144 -2.0957 -2.0957 -2.0466 -2.0466 -1.9926 -1.9926 -1.4719 -1.4719 -0.2469 -0.2469 -0.1099 -0.1099 0.1228 0.1228 0.1958 0.1958 0.4055 0.4055 0.5849 0.5849 4.6411 4.6411 7.2551 7.2551 9.0617 9.0617 9.1410 9.1410 9.7180 9.7180 9.7327 9.7327 10.4174 10.4174 11.1026 11.1026 15.7284 15.7284 16.6269 16.6269 k = 0.0000 0.0000 0.1826 ( 2394 PWs) bands (ev): -4.9163 -4.9163 -4.6223 -4.6223 -2.0942 -2.0942 -2.0486 -2.0486 -1.9809 -1.9809 -1.4972 -1.4972 -0.2430 -0.2430 -0.1126 -0.1126 0.1286 0.1286 0.2034 0.2034 0.3982 0.3982 0.5438 0.5438 4.7581 4.7581 7.1697 7.1697 9.0838 9.0838 9.1618 9.1618 9.6934 9.6934 9.7116 9.7116 10.4721 10.4721 11.1002 11.1002 15.7189 15.7189 16.5587 16.5587 k = 0.0000 0.0000 0.1940 ( 2376 PWs) bands (ev): -4.9017 -4.9017 -4.6307 -4.6307 -2.0926 -2.0926 -2.0507 -2.0507 -1.9681 -1.9681 -1.5232 -1.5232 -0.2385 -0.2385 -0.1159 -0.1159 0.1349 0.1349 0.2114 0.2114 0.3906 0.3906 0.5047 0.5047 4.8765 4.8765 7.0814 7.0814 9.1069 9.1069 9.1836 9.1836 9.6679 9.6679 9.6895 9.6895 10.5260 10.5260 11.0967 11.0967 15.7115 15.7115 16.4875 16.4875 k = 0.0000 0.0000 0.2054 ( 2388 PWs) bands (ev): -4.8867 -4.8867 -4.6398 -4.6398 -2.0910 -2.0910 -2.0528 -2.0528 -1.9543 -1.9543 -1.5496 -1.5496 -0.2337 -0.2337 -0.1197 -0.1197 0.1418 0.1418 0.2195 0.2195 0.3826 0.3826 0.4679 0.4679 4.9959 4.9959 6.9903 6.9903 9.1310 9.1310 9.2062 9.2062 9.6413 9.6413 9.6665 9.6665 10.5785 10.5785 11.0917 11.0917 15.7069 15.7069 16.4145 16.4145 k = 0.0000 0.0000 0.2168 ( 2382 PWs) bands (ev): -4.8714 -4.8714 -4.6495 -4.6495 -2.0892 -2.0892 -2.0550 -2.0550 -1.9395 -1.9395 -1.5764 -1.5764 -0.2285 -0.2285 -0.1240 -0.1240 0.1492 0.1492 0.2280 0.2280 0.3743 0.3743 0.4335 0.4335 5.1158 5.1158 6.8965 6.8965 9.1561 9.1561 9.2296 9.2296 9.6140 9.6140 9.6428 9.6428 10.6294 10.6294 11.0851 11.0851 15.7055 15.7055 16.3410 16.3410 k = 0.0000 0.0000 0.2282 ( 2382 PWs) bands (ev): -4.8559 -4.8559 -4.6599 -4.6599 -2.0874 -2.0874 -2.0572 -2.0572 -1.9237 -1.9237 -1.6033 -1.6033 -0.2228 -0.2228 -0.1289 -0.1289 0.1573 0.1573 0.2366 0.2366 0.3658 0.3658 0.4014 0.4014 5.2360 5.2360 6.8000 6.8000 9.1820 9.1820 9.2537 9.2537 9.5861 9.5861 9.6184 9.6184 10.6784 10.6784 11.0767 11.0767 15.7078 15.7078 16.2683 16.2683 k = 0.0000 0.0000 0.2396 ( 2382 PWs) bands (ev): -4.8403 -4.8403 -4.6709 -4.6709 -2.0855 -2.0855 -2.0594 -2.0594 -1.9068 -1.9068 -1.6302 -1.6302 -0.2168 -0.2168 -0.1343 -0.1343 0.1661 0.1661 0.2455 0.2455 0.3571 0.3571 0.3718 0.3718 5.3561 5.3561 6.7011 6.7011 9.2087 9.2087 9.2785 9.2785 9.5575 9.5575 9.5934 9.5934 10.7252 10.7252 11.0661 11.0661 15.7141 15.7141 16.1975 16.1975 k = 0.0000 0.0000 0.2510 ( 2382 PWs) bands (ev): -4.8247 -4.8247 -4.6825 -4.6825 -2.0836 -2.0836 -2.0617 -2.0617 -1.8888 -1.8888 -1.6569 -1.6569 -0.2104 -0.2104 -0.1402 -0.1402 0.1757 0.1757 0.2546 0.2546 0.3445 0.3445 0.3482 0.3482 5.4757 5.4757 6.5996 6.5996 9.2361 9.2361 9.3038 9.3038 9.5285 9.5285 9.5678 9.5678 10.7695 10.7695 11.0533 11.0533 15.7249 15.7249 16.1295 16.1295 k = 0.0000 0.0000 0.2624 ( 2376 PWs) bands (ev): -4.8091 -4.8091 -4.6947 -4.6947 -2.0815 -2.0815 -2.0640 -2.0640 -1.8697 -1.8697 -1.6833 -1.6833 -0.2037 -0.2037 -0.1465 -0.1465 0.1862 0.1862 0.2639 0.2639 0.3195 0.3195 0.3390 0.3390 5.5947 5.5947 6.4959 6.4959 9.2641 9.2641 9.3295 9.3295 9.4993 9.4993 9.5420 9.5420 10.8112 10.8112 11.0379 11.0379 15.7406 15.7406 16.0654 16.0654 k = 0.0000 0.0000 0.2738 ( 2376 PWs) bands (ev): -4.7937 -4.7937 -4.7075 -4.7075 -2.0795 -2.0795 -2.0662 -2.0662 -1.8495 -1.8495 -1.7092 -1.7092 -0.1967 -0.1967 -0.1532 -0.1532 0.1978 0.1978 0.2732 0.2732 0.2967 0.2967 0.3298 0.3298 5.7128 5.7128 6.3898 6.3898 9.2926 9.2926 9.3557 9.3557 9.4697 9.4697 9.5156 9.5156 10.8500 10.8500 11.0199 11.0199 15.7616 15.7616 16.0057 16.0057 k = 0.0000 0.0000 0.2852 ( 2382 PWs) bands (ev): -4.7785 -4.7785 -4.7208 -4.7208 -2.0774 -2.0774 -2.0685 -2.0685 -1.8284 -1.8284 -1.7346 -1.7346 -0.1895 -0.1895 -0.1602 -0.1602 0.2105 0.2105 0.2759 0.2759 0.2826 0.2826 0.3204 0.3204 5.8297 5.8297 6.2816 6.2816 9.3215 9.3215 9.3821 9.3821 9.4400 9.4400 9.4891 9.4891 10.8859 10.8859 10.9991 10.9991 15.7880 15.7880 15.9510 15.9510 k = 0.0000 0.0000 0.2967 ( 2382 PWs) bands (ev): -4.7635 -4.7635 -4.7346 -4.7346 -2.0752 -2.0752 -2.0708 -2.0708 -1.8063 -1.8063 -1.7593 -1.7593 -0.1821 -0.1821 -0.1674 -0.1674 0.2246 0.2246 0.2571 0.2571 0.2921 0.2921 0.3110 0.3110 5.9452 5.9452 6.1713 6.1713 9.3509 9.3509 9.4088 9.4088 9.4102 9.4102 9.4624 9.4624 10.9188 10.9188 10.9754 10.9754 15.8201 15.8201 15.9017 15.9017 k = 0.0000 0.0000 0.3081 ( 2388 PWs) bands (ev): -4.7489 -4.7489 -4.7489 -4.7489 -2.0730 -2.0730 -2.0730 -2.0730 -1.7832 -1.7832 -1.7832 -1.7832 -0.1748 -0.1748 -0.1748 -0.1748 0.2400 0.2400 0.2400 0.2400 0.3015 0.3015 0.3015 0.3015 6.0591 6.0591 6.0591 6.0591 9.3804 9.3804 9.3804 9.3804 9.4356 9.4356 9.4356 9.4356 10.9486 10.9486 10.9486 10.9486 15.8580 15.8580 15.8580 15.8580 k = 0.0000 0.0000 0.3081 ( 2388 PWs) bands (ev): -4.7489 -4.7489 -4.7489 -4.7489 -2.0730 -2.0730 -2.0730 -2.0730 -1.7832 -1.7832 -1.7832 -1.7832 -0.1748 -0.1748 -0.1748 -0.1748 0.2400 0.2400 0.2400 0.2400 0.3015 0.3015 0.3015 0.3015 6.0591 6.0591 6.0591 6.0591 9.3804 9.3804 9.3804 9.3804 9.4356 9.4356 9.4356 9.4356 10.9486 10.9486 10.9486 10.9486 15.8580 15.8580 15.8580 15.8580 k = 0.0100 0.0058 0.3081 ( 2388 PWs) bands (ev): -4.7496 -4.7496 -4.7473 -4.7473 -2.0728 -2.0728 -2.0727 -2.0727 -1.7912 -1.7912 -1.7749 -1.7749 -0.1762 -0.1762 -0.1728 -0.1728 0.2340 0.2340 0.2454 0.2454 0.3020 0.3020 0.3021 0.3021 6.0562 6.0562 6.0613 6.0613 9.3567 9.3567 9.3910 9.3910 9.4349 9.4349 9.4350 9.4350 10.9409 10.9409 10.9672 10.9672 15.8549 15.8549 15.8602 15.8602 k = 0.0200 0.0115 0.3081 ( 2384 PWs) bands (ev): -4.7496 -4.7496 -4.7451 -4.7451 -2.0720 -2.0720 -2.0720 -2.0720 -1.7989 -1.7989 -1.7663 -1.7663 -0.1771 -0.1771 -0.1703 -0.1703 0.2276 0.2276 0.2498 0.2498 0.3033 0.3033 0.3041 0.3041 6.0525 6.0525 6.0627 6.0627 9.3214 9.3214 9.3885 9.3885 9.4325 9.4325 9.4328 9.4328 10.9446 10.9446 10.9956 10.9956 15.8507 15.8507 15.8614 15.8614 k = 0.0300 0.0173 0.3081 ( 2384 PWs) bands (ev): -4.7489 -4.7489 -4.7421 -4.7421 -2.0708 -2.0708 -2.0706 -2.0706 -1.8062 -1.8062 -1.7574 -1.7574 -0.1774 -0.1774 -0.1673 -0.1673 0.2211 0.2211 0.2531 0.2531 0.3052 0.3052 0.3077 0.3077 6.0480 6.0480 6.0633 6.0633 9.2762 9.2762 9.3751 9.3751 9.4270 9.4270 9.4278 9.4278 10.9593 10.9593 11.0328 11.0328 15.8456 15.8456 15.8617 15.8617 k = 0.0400 0.0231 0.3081 ( 2390 PWs) bands (ev): -4.7474 -4.7474 -4.7384 -4.7384 -2.0692 -2.0692 -2.0688 -2.0688 -1.8132 -1.8132 -1.7482 -1.7482 -0.1770 -0.1770 -0.1639 -0.1639 0.2146 0.2146 0.2552 0.2552 0.3076 0.3076 0.3128 0.3128 6.0427 6.0427 6.0631 6.0631 9.2228 9.2228 9.3520 9.3520 9.4170 9.4170 9.4206 9.4206 10.9844 10.9844 11.0773 11.0773 15.8392 15.8392 15.8609 15.8609 k = 0.0500 0.0289 0.3081 ( 2388 PWs) bands (ev): -4.7452 -4.7452 -4.7339 -4.7339 -2.0672 -2.0672 -2.0663 -2.0663 -1.8199 -1.8199 -1.7387 -1.7387 -0.1760 -0.1760 -0.1600 -0.1600 0.2082 0.2082 0.2564 0.2564 0.3103 0.3103 0.3195 0.3195 6.0364 6.0364 6.0619 6.0619 9.1628 9.1628 9.3199 9.3199 9.4036 9.4036 9.4109 9.4109 11.0188 11.0188 11.1277 11.1277 15.8316 15.8316 15.8590 15.8590 k = 0.0600 0.0346 0.3081 ( 2388 PWs) bands (ev): -4.7423 -4.7423 -4.7288 -4.7288 -2.0648 -2.0648 -2.0633 -2.0633 -1.8261 -1.8261 -1.7289 -1.7289 -0.1744 -0.1744 -0.1558 -0.1558 0.2020 0.2020 0.2568 0.2568 0.3133 0.3133 0.3274 0.3274 6.0291 6.0291 6.0595 6.0595 9.0974 9.0974 9.2796 9.2796 9.3874 9.3874 9.3988 9.3988 11.0610 11.0610 11.1828 11.1828 15.8226 15.8226 15.8558 15.8558 k = 0.0700 0.0404 0.3081 ( 2388 PWs) bands (ev): -4.7387 -4.7387 -4.7231 -4.7231 -2.0621 -2.0621 -2.0597 -2.0597 -1.8319 -1.8319 -1.7189 -1.7189 -0.1720 -0.1720 -0.1513 -0.1513 0.1960 0.1960 0.2567 0.2567 0.3166 0.3166 0.3363 0.3363 6.0205 6.0205 6.0559 6.0559 9.0281 9.0281 9.2323 9.2323 9.3688 9.3688 9.3843 9.3843 11.1097 11.1097 11.2414 11.2414 15.8120 15.8120 15.8512 15.8512 k = 0.0800 0.0462 0.3081 ( 2384 PWs) bands (ev): -4.7344 -4.7344 -4.7167 -4.7167 -2.0591 -2.0591 -2.0555 -2.0555 -1.8373 -1.8373 -1.7084 -1.7084 -0.1689 -0.1689 -0.1464 -0.1464 0.1904 0.1904 0.2565 0.2565 0.3201 0.3201 0.3459 0.3459 6.0106 6.0106 6.0507 6.0507 8.9559 8.9559 9.1793 9.1793 9.3481 9.3481 9.3674 9.3674 11.1634 11.1634 11.3026 11.3026 15.7998 15.7998 15.8449 15.8449 k = 0.0900 0.0520 0.3081 ( 2380 PWs) bands (ev): -4.7295 -4.7295 -4.7098 -4.7098 -2.0557 -2.0557 -2.0507 -2.0507 -1.8422 -1.8422 -1.6977 -1.6977 -0.1651 -0.1651 -0.1413 -0.1413 0.1850 0.1850 0.2562 0.2562 0.3238 0.3238 0.3561 0.3561 5.9990 5.9990 6.0438 6.0438 8.8817 8.8817 9.1219 9.1219 9.3253 9.3253 9.3482 9.3482 11.2209 11.2209 11.3656 11.3656 15.7856 15.7856 15.8369 15.8369 k = 0.1000 0.0577 0.3081 ( 2372 PWs) bands (ev): -4.7241 -4.7241 -4.7023 -4.7023 -2.0521 -2.0521 -2.0453 -2.0453 -1.8466 -1.8466 -1.6867 -1.6867 -0.1606 -0.1606 -0.1361 -0.1361 0.1801 0.1801 0.2560 0.2560 0.3278 0.3278 0.3670 0.3670 5.9857 5.9857 6.0350 6.0350 8.8066 8.8066 9.0614 9.0614 9.3005 9.3005 9.3268 9.3268 11.2812 11.2812 11.4295 11.4295 15.7694 15.7694 15.8268 15.8268 k = 0.1100 0.0635 0.3081 ( 2376 PWs) bands (ev): -4.7180 -4.7180 -4.6943 -4.6943 -2.0484 -2.0484 -2.0395 -2.0395 -1.8503 -1.8503 -1.6753 -1.6753 -0.1553 -0.1553 -0.1307 -0.1307 0.1756 0.1756 0.2560 0.2560 0.3321 0.3321 0.3782 0.3782 5.9703 5.9703 6.0238 6.0238 8.7312 8.7312 8.9989 8.9989 9.2739 9.2739 9.3034 9.3034 11.3433 11.3433 11.4939 11.4939 15.7511 15.7511 15.8145 15.8145 k = 0.1200 0.0693 0.3081 ( 2372 PWs) bands (ev): -4.7114 -4.7114 -4.6859 -4.6859 -2.0444 -2.0444 -2.0331 -2.0331 -1.8534 -1.8534 -1.6636 -1.6636 -0.1493 -0.1493 -0.1252 -0.1252 0.1715 0.1715 0.2563 0.2563 0.3366 0.3366 0.3899 0.3899 5.9526 5.9526 6.0100 6.0100 8.6564 8.6564 8.9352 8.9352 9.2454 9.2454 9.2780 9.2780 11.4063 11.4063 11.5581 11.5581 15.7305 15.7305 15.7997 15.7997 k = 0.1300 0.0751 0.3081 ( 2372 PWs) bands (ev): -4.7043 -4.7043 -4.6771 -4.6771 -2.0403 -2.0403 -2.0264 -2.0264 -1.8557 -1.8557 -1.6516 -1.6516 -0.1426 -0.1426 -0.1197 -0.1197 0.1679 0.1679 0.2570 0.2570 0.3414 0.3414 0.4021 0.4021 5.9324 5.9324 5.9933 5.9933 8.5829 8.5829 8.8713 8.8713 9.2153 9.2153 9.2507 9.2507 11.4696 11.4696 11.6218 11.6218 15.7076 15.7076 15.7824 15.7824 k = 0.1400 0.0808 0.3081 ( 2362 PWs) bands (ev): -4.6968 -4.6968 -4.6679 -4.6679 -2.0361 -2.0361 -2.0194 -2.0194 -1.8571 -1.8571 -1.6392 -1.6392 -0.1351 -0.1351 -0.1142 -0.1142 0.1649 0.1649 0.2581 0.2581 0.3465 0.3465 0.4147 0.4147 5.9093 5.9093 5.9733 5.9733 8.5114 8.5114 8.8079 8.8079 9.1837 9.1837 9.2217 9.2217 11.5328 11.5328 11.6845 11.6845 15.6825 15.6825 15.7623 15.7623 k = 0.1500 0.0866 0.3081 ( 2358 PWs) bands (ev): -4.6889 -4.6889 -4.6585 -4.6585 -2.0318 -2.0318 -2.0123 -2.0123 -1.8574 -1.8574 -1.6264 -1.6264 -0.1270 -0.1270 -0.1088 -0.1088 0.1624 0.1624 0.2597 0.2597 0.3519 0.3519 0.4277 0.4277 5.8831 5.8831 5.9495 5.9495 8.4423 8.4423 8.7456 8.7456 9.1507 9.1507 9.1911 9.1911 11.5951 11.5951 11.7458 11.7458 15.6552 15.6552 15.7395 15.7395 k = 0.1600 0.0924 0.3081 ( 2358 PWs) bands (ev): -4.6807 -4.6807 -4.6488 -4.6488 -2.0275 -2.0275 -2.0052 -2.0052 -1.8565 -1.8565 -1.6134 -1.6134 -0.1183 -0.1183 -0.1035 -0.1035 0.1605 0.1605 0.2619 0.2619 0.3577 0.3577 0.4411 0.4411 5.8535 5.8535 5.9217 5.9217 8.3764 8.3764 8.6850 8.6850 9.1164 9.1164 9.1591 9.1591 11.6563 11.6563 11.8055 11.8055 15.6259 15.6259 15.7139 15.7139 k = 0.1700 0.0981 0.3081 ( 2354 PWs) bands (ev): -4.6722 -4.6722 -4.6389 -4.6389 -2.0231 -2.0231 -1.9983 -1.9983 -1.8541 -1.8541 -1.5999 -1.5999 -0.1090 -0.1090 -0.0984 -0.0984 0.1593 0.1593 0.2646 0.2646 0.3640 0.3640 0.4550 0.4550 5.8203 5.8203 5.8896 5.8896 8.3142 8.3142 8.6267 8.6267 9.0810 9.0810 9.1258 9.1258 11.7159 11.7159 11.8632 11.8632 15.5949 15.5949 15.6858 15.6858 k = 0.1800 0.1039 0.3081 ( 2346 PWs) bands (ev): -4.6634 -4.6634 -4.6289 -4.6289 -2.0189 -2.0189 -1.9919 -1.9919 -1.8501 -1.8501 -1.5861 -1.5861 -0.0992 -0.0992 -0.0935 -0.0935 0.1589 0.1589 0.2679 0.2679 0.3707 0.3707 0.4694 0.4694 5.7832 5.7832 5.8527 5.8527 8.2561 8.2561 8.5709 8.5709 9.0447 9.0447 9.0913 9.0913 11.7736 11.7736 11.9188 11.9188 15.5623 15.5623 15.6553 15.6553 k = 0.1900 0.1097 0.3081 ( 2350 PWs) bands (ev): -4.6544 -4.6544 -4.6189 -4.6189 -2.0146 -2.0146 -1.9861 -1.9861 -1.8442 -1.8442 -1.5721 -1.5721 -0.0891 -0.0891 -0.0889 -0.0889 0.1594 0.1594 0.2718 0.2718 0.3780 0.3780 0.4842 0.4842 5.7421 5.7421 5.8111 5.8111 8.2024 8.2024 8.5182 8.5182 9.0075 9.0075 9.0557 9.0557 11.8290 11.8290 11.9718 11.9718 15.5286 15.5286 15.6229 15.6229 k = 0.2000 0.1155 0.3081 ( 2350 PWs) bands (ev): -4.6452 -4.6452 -4.6088 -4.6088 -2.0105 -2.0105 -1.9811 -1.9811 -1.8363 -1.8363 -1.5577 -1.5577 -0.0846 -0.0846 -0.0787 -0.0787 0.1608 0.1608 0.2764 0.2764 0.3859 0.3859 0.4997 0.4997 5.6969 5.6969 5.7643 5.7643 8.1536 8.1536 8.4688 8.4688 8.9697 8.9697 9.0193 9.0193 11.8821 11.8821 12.0222 12.0222 15.4942 15.4942 15.5889 15.5889 k = 0.2100 0.1212 0.3081 ( 2354 PWs) bands (ev): -4.6360 -4.6360 -4.5988 -4.5988 -2.0065 -2.0065 -1.9770 -1.9770 -1.8264 -1.8264 -1.5430 -1.5430 -0.0807 -0.0807 -0.0683 -0.0683 0.1632 0.1632 0.2815 0.2815 0.3945 0.3945 0.5157 0.5157 5.6474 5.6474 5.7125 5.7125 8.1096 8.1096 8.4229 8.4229 8.9314 8.9314 8.9823 8.9823 11.9324 11.9324 12.0698 12.0698 15.4595 15.4595 15.5538 15.5538 k = 0.2200 0.1270 0.3081 ( 2362 PWs) bands (ev): -4.6267 -4.6267 -4.5889 -4.5889 -2.0027 -2.0027 -1.9737 -1.9737 -1.8145 -1.8145 -1.5281 -1.5281 -0.0770 -0.0770 -0.0580 -0.0580 0.1668 0.1668 0.2872 0.2872 0.4038 0.4038 0.5323 0.5323 5.5936 5.5936 5.6557 5.6557 8.0708 8.0708 8.3806 8.3806 8.8928 8.8928 8.9446 8.9446 11.9799 11.9799 12.1143 12.1143 15.4249 15.4249 15.5182 15.5182 k = 0.2300 0.1328 0.3081 ( 2362 PWs) bands (ev): -4.6173 -4.6173 -4.5791 -4.5791 -1.9990 -1.9990 -1.9712 -1.9712 -1.8007 -1.8007 -1.5130 -1.5130 -0.0737 -0.0737 -0.0480 -0.0480 0.1716 0.1716 0.2935 0.2935 0.4141 0.4141 0.5497 0.5497 5.5357 5.5357 5.5939 5.5939 8.0369 8.0369 8.3421 8.3421 8.8541 8.8541 8.9066 8.9066 12.0243 12.0243 12.1556 12.1556 15.3909 15.3909 15.4825 15.4825 k = 0.2400 0.1386 0.3081 ( 2364 PWs) bands (ev): -4.6080 -4.6080 -4.5695 -4.5695 -1.9955 -1.9955 -1.9694 -1.9694 -1.7852 -1.7852 -1.4978 -1.4978 -0.0707 -0.0707 -0.0385 -0.0385 0.1778 0.1778 0.3002 0.3002 0.4255 0.4255 0.5678 0.5678 5.4737 5.4737 5.5275 5.5275 8.0080 8.0080 8.3072 8.3072 8.8154 8.8154 8.8685 8.8685 12.0656 12.0656 12.1937 12.1937 15.3579 15.3579 15.4473 15.4473 k = 0.2500 0.1443 0.3081 ( 2360 PWs) bands (ev): -4.5988 -4.5988 -4.5601 -4.5601 -1.9922 -1.9922 -1.9681 -1.9681 -1.7681 -1.7681 -1.4824 -1.4824 -0.0679 -0.0679 -0.0296 -0.0296 0.1853 0.1853 0.3072 0.3072 0.4381 0.4381 0.5867 0.5867 5.4078 5.4078 5.4568 5.4568 7.9838 7.9838 8.2759 8.2759 8.7770 8.7770 8.8303 8.8303 12.1037 12.1037 12.2285 12.2285 15.3262 15.3262 15.4130 15.4130 k = 0.2600 0.1501 0.3081 ( 2360 PWs) bands (ev): -4.5897 -4.5897 -4.5510 -4.5510 -1.9891 -1.9891 -1.9673 -1.9673 -1.7497 -1.7497 -1.4671 -1.4671 -0.0655 -0.0655 -0.0216 -0.0216 0.1941 0.1941 0.3146 0.3146 0.4520 0.4520 0.6064 0.6064 5.3383 5.3383 5.3821 5.3821 7.9640 7.9640 8.2481 8.2481 8.7390 8.7390 8.7922 8.7922 12.1384 12.1384 12.2598 12.2598 15.2963 15.2963 15.3802 15.3802 k = 0.2700 0.1559 0.3081 ( 2362 PWs) bands (ev): -4.5807 -4.5807 -4.5423 -4.5423 -1.9862 -1.9862 -1.9668 -1.9668 -1.7301 -1.7301 -1.4518 -1.4518 -0.0632 -0.0632 -0.0144 -0.0144 0.2042 0.2042 0.3222 0.3222 0.4674 0.4674 0.6270 0.6270 5.2655 5.2655 5.3038 5.3038 7.9483 7.9483 8.2235 8.2235 8.7017 8.7017 8.7544 8.7544 12.1699 12.1699 12.2878 12.2878 15.2683 15.2683 15.3492 15.3492 k = 0.2800 0.1617 0.3081 ( 2362 PWs) bands (ev): -4.5719 -4.5719 -4.5338 -4.5338 -1.9836 -1.9836 -1.9665 -1.9665 -1.7095 -1.7095 -1.4366 -1.4366 -0.0612 -0.0612 -0.0082 -0.0082 0.2152 0.2152 0.3300 0.3300 0.4846 0.4846 0.6485 0.6485 5.1897 5.1897 5.2226 5.2226 7.9363 7.9363 8.2018 8.2018 8.6651 8.6651 8.7171 8.7171 12.1980 12.1980 12.3124 12.3124 15.2426 15.2426 15.3202 15.3202 k = 0.2900 0.1674 0.3081 ( 2358 PWs) bands (ev): -4.5634 -4.5634 -4.5258 -4.5258 -1.9811 -1.9811 -1.9664 -1.9664 -1.6880 -1.6880 -1.4217 -1.4217 -0.0593 -0.0593 -0.0030 -0.0030 0.2271 0.2271 0.3377 0.3377 0.5037 0.5037 0.6709 0.6709 5.1113 5.1113 5.1388 5.1388 7.9278 7.9278 8.1827 8.1827 8.6296 8.6296 8.6805 8.6805 12.2230 12.2230 12.3336 12.3336 15.2193 15.2193 15.2935 15.2935 k = 0.3000 0.1732 0.3081 ( 2354 PWs) bands (ev): -4.5550 -4.5550 -4.5181 -4.5181 -1.9789 -1.9789 -1.9664 -1.9664 -1.6659 -1.6659 -1.4070 -1.4070 -0.0575 -0.0575 0.0014 0.0014 0.2395 0.2395 0.3455 0.3455 0.5247 0.5247 0.6942 0.6942 5.0307 5.0307 5.0531 5.0531 7.9221 7.9221 8.1660 8.1660 8.5953 8.5953 8.6447 8.6447 12.2448 12.2448 12.3517 12.3517 15.1985 15.1985 15.2693 15.2693 k = 0.3100 0.1790 0.3081 ( 2354 PWs) bands (ev): -4.5469 -4.5469 -4.5109 -4.5109 -1.9769 -1.9769 -1.9665 -1.9665 -1.6433 -1.6433 -1.3927 -1.3927 -0.0558 -0.0558 0.0050 0.0050 0.2521 0.2521 0.3530 0.3530 0.5479 0.5479 0.7184 0.7184 4.9485 4.9485 4.9659 4.9659 7.9191 7.9191 8.1513 8.1513 8.5625 8.5625 8.6099 8.6099 12.2637 12.2637 12.3666 12.3666 15.1802 15.1802 15.2477 15.2477 k = 0.3200 0.1848 0.3081 ( 2350 PWs) bands (ev): -4.5391 -4.5391 -4.5041 -4.5041 -1.9751 -1.9751 -1.9666 -1.9666 -1.6203 -1.6203 -1.3789 -1.3789 -0.0540 -0.0540 0.0078 0.0078 0.2648 0.2648 0.3604 0.3604 0.5733 0.5733 0.7435 0.7435 4.8650 4.8650 4.8779 4.8779 7.9181 7.9181 8.1381 8.1381 8.5313 8.5313 8.5764 8.5764 12.2797 12.2797 12.3787 12.3787 15.1645 15.1645 15.2286 15.2286 k = 0.3300 0.1905 0.3081 ( 2352 PWs) bands (ev): -4.5316 -4.5316 -4.4977 -4.4977 -1.9735 -1.9735 -1.9668 -1.9668 -1.5972 -1.5972 -1.3657 -1.3657 -0.0523 -0.0523 0.0100 0.0100 0.2772 0.2772 0.3674 0.3674 0.6009 0.6009 0.7693 0.7693 4.7808 4.7808 4.7896 4.7896 7.9190 7.9190 8.1262 8.1262 8.5019 8.5019 8.5441 8.5441 12.2932 12.2932 12.3880 12.3880 15.1513 15.1513 15.2120 15.2120 k = 0.3400 0.1963 0.3081 ( 2358 PWs) bands (ev): -4.5244 -4.5244 -4.4918 -4.4918 -1.9721 -1.9721 -1.9670 -1.9670 -1.5739 -1.5739 -1.3531 -1.3531 -0.0506 -0.0506 0.0116 0.0116 0.2893 0.2893 0.3741 0.3741 0.6304 0.6304 0.7959 0.7959 4.6964 4.6964 4.7015 4.7015 7.9212 7.9212 8.1152 8.1152 8.4745 8.4745 8.5135 8.5135 12.3042 12.3042 12.3947 12.3947 15.1405 15.1405 15.1979 15.1979 k = 0.3500 0.2021 0.3081 ( 2354 PWs) bands (ev): -4.5176 -4.5176 -4.4864 -4.4864 -1.9709 -1.9709 -1.9671 -1.9671 -1.5508 -1.5508 -1.3413 -1.3413 -0.0488 -0.0488 0.0127 0.0127 0.3009 0.3009 0.3804 0.3804 0.6619 0.6619 0.8230 0.8230 4.6124 4.6124 4.6142 4.6142 7.9245 7.9245 8.1048 8.1048 8.4494 8.4494 8.4845 8.4845 12.3132 12.3132 12.3992 12.3992 15.1319 15.1319 15.1861 15.1861 k = 0.3600 0.2078 0.3081 ( 2360 PWs) bands (ev): -4.5111 -4.5111 -4.4814 -4.4814 -1.9699 -1.9699 -1.9673 -1.9673 -1.5279 -1.5279 -1.3303 -1.3303 -0.0469 -0.0469 0.0133 0.0133 0.3120 0.3120 0.3862 0.3862 0.6950 0.6950 0.8505 0.8505 4.5283 4.5283 4.5292 4.5292 7.9285 7.9285 8.0947 8.0947 8.4266 8.4266 8.4574 8.4574 12.3203 12.3203 12.4017 12.4017 15.1255 15.1255 15.1763 15.1763 k = 0.3700 0.2136 0.3081 ( 2356 PWs) bands (ev): -4.5049 -4.5049 -4.4769 -4.4769 -1.9690 -1.9690 -1.9674 -1.9674 -1.5054 -1.5054 -1.3202 -1.3201 -0.0449 -0.0449 0.0136 0.0136 0.3225 0.3225 0.3916 0.3916 0.7295 0.7295 0.8782 0.8782 4.4444 4.4444 4.4475 4.4475 7.9329 7.9329 8.0847 8.0847 8.4062 8.4062 8.4324 8.4324 12.3258 12.3258 12.4024 12.4024 15.1210 15.1210 15.1685 15.1685 k = 0.3800 0.2194 0.3081 ( 2354 PWs) bands (ev): -4.4991 -4.4991 -4.4729 -4.4729 -1.9683 -1.9683 -1.9675 -1.9675 -1.4834 -1.4834 -1.3110 -1.3110 -0.0428 -0.0428 0.0134 0.0134 0.3325 0.3325 0.3964 0.3964 0.7649 0.7649 0.9058 0.9058 4.3630 4.3630 4.3679 4.3679 7.9375 7.9375 8.0746 8.0746 8.3883 8.3883 8.4096 8.4096 12.3299 12.3299 12.4015 12.4015 15.1181 15.1181 15.1624 15.1624 k = 0.3900 0.2252 0.3081 ( 2350 PWs) bands (ev): -4.4937 -4.4937 -4.4693 -4.4693 -1.9677 -1.9677 -1.9676 -1.9676 -1.4620 -1.4620 -1.3030 -1.3030 -0.0405 -0.0405 0.0129 0.0129 0.3418 0.3418 0.4007 0.4007 0.8009 0.8009 0.9330 0.9330 4.2848 4.2848 4.2909 4.2909 7.9420 7.9420 8.0644 8.0644 8.3727 8.3727 8.3891 8.3891 12.3329 12.3329 12.3994 12.3994 15.1168 15.1168 15.1577 15.1577 k = 0.4000 0.2309 0.3081 ( 2350 PWs) bands (ev): -4.4886 -4.4886 -4.4661 -4.4661 -1.9677 -1.9677 -1.9672 -1.9672 -1.4415 -1.4415 -1.2960 -1.2960 -0.0381 -0.0381 0.0120 0.0120 0.3506 0.3506 0.4043 0.4043 0.8370 0.8370 0.9595 0.9595 4.2103 4.2103 4.2173 4.2173 7.9463 7.9463 8.0542 8.0542 8.3593 8.3593 8.3709 8.3709 12.3351 12.3351 12.3963 12.3963 15.1167 15.1167 15.1542 15.1542 k = 0.4100 0.2367 0.3081 ( 2350 PWs) bands (ev): -4.4839 -4.4839 -4.4634 -4.4634 -1.9677 -1.9677 -1.9669 -1.9669 -1.4218 -1.4218 -1.2902 -1.2902 -0.0356 -0.0356 0.0109 0.0109 0.3588 0.3588 0.4074 0.4074 0.8728 0.8728 0.9850 0.9850 4.1402 4.1402 4.1476 4.1476 7.9501 7.9501 8.0439 8.0439 8.3481 8.3481 8.3552 8.3552 12.3367 12.3367 12.3924 12.3924 15.1176 15.1176 15.1517 15.1517 k = 0.4200 0.2425 0.3081 ( 2350 PWs) bands (ev): -4.4795 -4.4795 -4.4612 -4.4612 -1.9676 -1.9676 -1.9666 -1.9666 -1.4031 -1.4031 -1.2857 -1.2857 -0.0329 -0.0329 0.0095 0.0095 0.3664 0.3664 0.4099 0.4099 0.9077 0.9077 1.0089 1.0089 4.0752 4.0752 4.0826 4.0826 7.9535 7.9535 8.0338 8.0338 8.3386 8.3386 8.3419 8.3419 12.3379 12.3379 12.3879 12.3879 15.1193 15.1193 15.1499 15.1499 k = 0.4300 0.2483 0.3081 ( 2346 PWs) bands (ev): -4.4755 -4.4755 -4.4594 -4.4594 -1.9676 -1.9676 -1.9664 -1.9664 -1.3855 -1.3855 -1.2825 -1.2825 -0.0302 -0.0302 0.0078 0.0078 0.3735 0.3735 0.4117 0.4117 0.9412 0.9412 1.0308 1.0308 4.0158 4.0158 4.0230 4.0230 7.9565 7.9565 8.0240 8.0240 8.3307 8.3307 8.3309 8.3309 12.3389 12.3389 12.3830 12.3830 15.1216 15.1216 15.1486 15.1486 k = 0.4400 0.2540 0.3081 ( 2346 PWs) bands (ev): -4.4719 -4.4719 -4.4580 -4.4580 -1.9675 -1.9675 -1.9663 -1.9663 -1.3691 -1.3691 -1.2806 -1.2806 -0.0273 -0.0273 0.0059 0.0059 0.3800 0.3800 0.4130 0.4130 0.9726 0.9726 1.0503 1.0503 3.9627 3.9627 3.9694 3.9694 7.9590 7.9590 8.0147 8.0147 8.3221 8.3221 8.3242 8.3242 12.3398 12.3398 12.3779 12.3779 15.1244 15.1244 15.1477 15.1477 k = 0.4500 0.2598 0.3081 ( 2346 PWs) bands (ev): -4.4687 -4.4687 -4.4570 -4.4570 -1.9674 -1.9674 -1.9663 -1.9663 -1.3540 -1.3540 -1.2800 -1.2800 -0.0244 -0.0244 0.0038 0.0038 0.3860 0.3860 0.4136 0.4136 1.0015 1.0015 1.0668 1.0668 3.9166 3.9166 3.9225 3.9225 7.9613 7.9613 8.0060 8.0060 8.3154 8.3154 8.3188 8.3188 12.3409 12.3409 12.3729 12.3729 15.1273 15.1273 15.1469 15.1469 k = 0.4600 0.2656 0.3081 ( 2346 PWs) bands (ev): -4.4658 -4.4658 -4.4564 -4.4564 -1.9673 -1.9673 -1.9663 -1.9663 -1.3401 -1.3401 -1.2809 -1.2809 -0.0214 -0.0214 0.0015 0.0015 0.3914 0.3914 0.4136 0.4136 1.0273 1.0273 1.0799 1.0799 3.8781 3.8781 3.8830 3.8830 7.9635 7.9635 7.9981 7.9981 8.3105 8.3105 8.3144 8.3144 12.3421 12.3421 12.3679 12.3679 15.1303 15.1303 15.1461 15.1461 k = 0.4700 0.2714 0.3081 ( 2346 PWs) bands (ev): -4.4633 -4.4633 -4.4562 -4.4562 -1.9672 -1.9672 -1.9664 -1.9664 -1.3277 -1.3277 -1.2832 -1.2832 -0.0183 -0.0183 -0.0010 -0.0010 0.3962 0.3962 0.4129 0.4129 1.0494 1.0494 1.0891 1.0891 3.8476 3.8476 3.8514 3.8514 7.9658 7.9658 7.9910 7.9910 8.3073 8.3073 8.3109 8.3109 12.3438 12.3438 12.3632 12.3632 15.1332 15.1332 15.1451 15.1451 k = 0.4800 0.2771 0.3081 ( 2342 PWs) bands (ev): -4.4612 -4.4612 -4.4565 -4.4565 -1.9670 -1.9670 -1.9665 -1.9665 -1.3166 -1.3166 -1.2869 -1.2869 -0.0153 -0.0153 -0.0037 -0.0037 0.4005 0.4005 0.4117 0.4117 1.0675 1.0675 1.0941 1.0941 3.8257 3.8257 3.8283 3.8283 7.9684 7.9684 7.9849 7.9849 8.3054 8.3054 8.3082 8.3082 12.3458 12.3458 12.3588 12.3588 15.1360 15.1360 15.1439 15.1439 k = 0.4900 0.2829 0.3081 ( 2344 PWs) bands (ev): -4.4594 -4.4594 -4.4571 -4.4571 -1.9669 -1.9669 -1.9666 -1.9666 -1.3070 -1.3070 -1.2922 -1.2922 -0.0123 -0.0123 -0.0065 -0.0065 0.4042 0.4042 0.4098 0.4098 1.0812 1.0812 1.0945 1.0945 3.8127 3.8127 3.8140 3.8140 7.9714 7.9714 7.9796 7.9796 8.3047 8.3047 8.3062 8.3062 12.3484 12.3484 12.3549 12.3549 15.1385 15.1385 15.1425 15.1425 k = 0.5000 0.2887 0.3081 ( 2348 PWs) bands (ev): -4.4581 -4.4581 -4.4581 -4.4581 -1.9667 -1.9667 -1.9667 -1.9667 -1.2988 -1.2988 -1.2988 -1.2988 -0.0093 -0.0093 -0.0093 -0.0093 0.4073 0.4073 0.4073 0.4073 1.0902 1.0902 1.0902 1.0902 3.8088 3.8088 3.8088 3.8088 7.9751 7.9751 7.9751 7.9751 8.3050 8.3050 8.3050 8.3050 12.3514 12.3514 12.3514 12.3514 15.1406 15.1406 15.1406 15.1406 k = 0.5000 0.2887 0.3081 ( 2348 PWs) bands (ev): -4.4581 -4.4581 -4.4581 -4.4581 -1.9667 -1.9667 -1.9667 -1.9667 -1.2988 -1.2988 -1.2988 -1.2988 -0.0093 -0.0093 -0.0093 -0.0093 0.4073 0.4073 0.4073 0.4073 1.0902 1.0902 1.0902 1.0902 3.8088 3.8088 3.8088 3.8088 7.9751 7.9751 7.9751 7.9751 8.3050 8.3050 8.3050 8.3050 12.3514 12.3514 12.3514 12.3514 15.1406 15.1406 15.1406 15.1406 k = 0.4943 0.2986 0.3081 ( 2344 PWs) bands (ev): -4.4604 -4.4604 -4.4555 -4.4555 -1.9695 -1.9695 -1.9636 -1.9636 -1.3124 -1.3124 -1.2856 -1.2856 -0.0115 -0.0115 -0.0065 -0.0065 0.4042 0.4042 0.4101 0.4101 1.0760 1.0760 1.1054 1.1054 3.8085 3.8085 3.8098 3.8098 7.9374 7.9374 8.0083 8.0083 8.2729 8.2729 8.3334 8.3334 12.3456 12.3456 12.3654 12.3654 15.1396 15.1396 15.1430 15.1430 k = 0.4885 0.3086 0.3081 ( 2344 PWs) bands (ev): -4.4625 -4.4625 -4.4528 -4.4528 -1.9719 -1.9719 -1.9602 -1.9602 -1.3263 -1.3263 -1.2727 -1.2727 -0.0131 -0.0131 -0.0031 -0.0031 0.4009 0.4009 0.4125 0.4125 1.0629 1.0629 1.1215 1.1215 3.8089 3.8089 3.8115 3.8115 7.8951 7.8951 8.0366 8.0366 8.2378 8.2378 8.3579 8.3579 12.3481 12.3481 12.3875 12.3875 15.1399 15.1399 15.1466 15.1466 k = 0.4828 0.3185 0.3081 ( 2348 PWs) bands (ev): -4.4643 -4.4643 -4.4499 -4.4499 -1.9740 -1.9740 -1.9564 -1.9564 -1.3404 -1.3404 -1.2603 -1.2603 -0.0141 -0.0141 0.0009 0.0009 0.3973 0.3973 0.4146 0.4146 1.0510 1.0510 1.1385 1.1385 3.8100 3.8100 3.8139 3.8139 7.8481 7.8481 8.0585 8.0585 8.2018 8.2018 8.3787 8.3787 12.3590 12.3590 12.4170 12.4170 15.1414 15.1414 15.1516 15.1516 k = 0.4770 0.3285 0.3081 ( 2350 PWs) bands (ev): -4.4659 -4.4659 -4.4468 -4.4468 -1.9758 -1.9758 -1.9522 -1.9522 -1.3546 -1.3546 -1.2483 -1.2483 -0.0144 -0.0144 0.0055 0.0055 0.3936 0.3936 0.4163 0.4163 1.0403 1.0403 1.1562 1.1562 3.8118 3.8118 3.8170 3.8170 7.7964 7.7964 8.0677 8.0677 8.1718 8.1718 8.3959 8.3959 12.3780 12.3780 12.4536 12.4536 15.1441 15.1441 15.1580 15.1580 k = 0.4713 0.3384 0.3081 ( 2350 PWs) bands (ev): -4.4673 -4.4673 -4.4435 -4.4435 -1.9773 -1.9773 -1.9477 -1.9477 -1.3690 -1.3690 -1.2368 -1.2368 -0.0142 -0.0142 0.0106 0.0106 0.3897 0.3897 0.4176 0.4176 1.0310 1.0310 1.1746 1.1746 3.8143 3.8143 3.8207 3.8207 7.7399 7.7399 8.0516 8.0516 8.1610 8.1610 8.4100 8.4100 12.4046 12.4046 12.4964 12.4964 15.1481 15.1481 15.1658 15.1658 k = 0.4655 0.3484 0.3081 ( 2350 PWs) bands (ev): -4.4685 -4.4685 -4.4401 -4.4401 -1.9785 -1.9785 -1.9428 -1.9428 -1.3834 -1.3834 -1.2259 -1.2259 -0.0134 -0.0134 0.0163 0.0163 0.3857 0.3857 0.4184 0.4184 1.0231 1.0231 1.1935 1.1935 3.8173 3.8173 3.8250 3.8250 7.6789 7.6789 8.0114 8.0114 8.1688 8.1688 8.4214 8.4214 12.4384 12.4384 12.5448 12.5448 15.1533 15.1533 15.1750 15.1750 k = 0.4598 0.3584 0.3081 ( 2354 PWs) bands (ev): -4.4695 -4.4695 -4.4366 -4.4365 -1.9794 -1.9794 -1.9375 -1.9375 -1.3978 -1.3978 -1.2155 -1.2155 -0.0122 -0.0122 0.0225 0.0225 0.3816 0.3816 0.4188 0.4188 1.0165 1.0165 1.2129 1.2129 3.8209 3.8209 3.8298 3.8298 7.6138 7.6138 7.9596 7.9596 8.1833 8.1833 8.4305 8.4305 12.4785 12.4785 12.5980 12.5980 15.1595 15.1595 15.1855 15.1855 k = 0.4540 0.3683 0.3081 ( 2350 PWs) bands (ev): -4.4702 -4.4702 -4.4329 -4.4329 -1.9801 -1.9801 -1.9318 -1.9318 -1.4122 -1.4122 -1.2056 -1.2056 -0.0104 -0.0104 0.0291 0.0291 0.3773 0.3773 0.4188 0.4188 1.0115 1.0115 1.2327 1.2327 3.8249 3.8249 3.8351 3.8351 7.5450 7.5450 7.9020 7.9020 8.1994 8.1994 8.4378 8.4378 12.5244 12.5244 12.6552 12.6552 15.1670 15.1670 15.1976 15.1976 k = 0.4483 0.3783 0.3081 ( 2354 PWs) bands (ev): -4.4707 -4.4707 -4.4292 -4.4292 -1.9807 -1.9807 -1.9259 -1.9259 -1.4264 -1.4264 -1.1964 -1.1964 -0.0082 -0.0082 0.0362 0.0362 0.3730 0.3730 0.4183 0.4183 1.0079 1.0079 1.2528 1.2528 3.8293 3.8293 3.8407 3.8407 7.4732 7.4732 7.8406 7.8406 8.2157 8.2157 8.4437 8.4437 12.5750 12.5750 12.7156 12.7156 15.1755 15.1755 15.2110 15.2110 k = 0.4425 0.3882 0.3081 ( 2350 PWs) bands (ev): -4.4711 -4.4711 -4.4255 -4.4255 -1.9810 -1.9810 -1.9195 -1.9195 -1.4405 -1.4405 -1.1877 -1.1877 -0.0057 -0.0057 0.0438 0.0438 0.3687 0.3687 0.4175 0.4175 1.0059 1.0059 1.2731 1.2731 3.8340 3.8340 3.8465 3.8465 7.3989 7.3989 7.7766 7.7766 8.2317 8.2317 8.4485 8.4485 12.6297 12.6297 12.7785 12.7785 15.1851 15.1851 15.2260 15.2260 k = 0.4368 0.3982 0.3081 ( 2342 PWs) bands (ev): -4.4712 -4.4712 -4.4217 -4.4217 -1.9811 -1.9811 -1.9128 -1.9128 -1.4543 -1.4543 -1.1796 -1.1796 -0.0029 -0.0029 0.0517 0.0517 0.3643 0.3643 0.4163 0.4163 1.0053 1.0053 1.2935 1.2935 3.8390 3.8390 3.8526 3.8526 7.3230 7.3230 7.7106 7.7106 8.2473 8.2473 8.4525 8.4525 12.6874 12.6874 12.8429 12.8429 15.1958 15.1958 15.2424 15.2424 k = 0.4310 0.4081 0.3081 ( 2346 PWs) bands (ev): -4.4712 -4.4712 -4.4179 -4.4179 -1.9811 -1.9811 -1.9059 -1.9059 -1.4678 -1.4678 -1.1721 -1.1721 0.0001 0.0001 0.0599 0.0599 0.3599 0.3599 0.4147 0.4147 1.0061 1.0061 1.3140 1.3140 3.8439 3.8439 3.8586 3.8586 7.2460 7.2460 7.6433 7.6433 8.2623 8.2623 8.4559 8.4559 12.7473 12.7473 12.9083 12.9083 15.2075 15.2075 15.2604 15.2604 k = 0.4253 0.4181 0.3081 ( 2342 PWs) bands (ev): -4.4710 -4.4710 -4.4142 -4.4142 -1.9809 -1.9809 -1.8987 -1.8987 -1.4810 -1.4810 -1.1651 -1.1651 0.0033 0.0033 0.0685 0.0685 0.3555 0.3555 0.4129 0.4129 1.0083 1.0083 1.3344 1.3344 3.8489 3.8489 3.8645 3.8645 7.1689 7.1689 7.5754 7.5754 8.2770 8.2770 8.4588 8.4588 12.8085 12.8085 12.9738 12.9738 15.2204 15.2204 15.2799 15.2799 k = 0.4195 0.4280 0.3081 ( 2338 PWs) bands (ev): -4.4707 -4.4707 -4.4105 -4.4105 -1.9807 -1.9807 -1.8913 -1.8913 -1.4937 -1.4937 -1.1587 -1.1587 0.0066 0.0066 0.0772 0.0772 0.3511 0.3511 0.4110 0.4110 1.0118 1.0118 1.3546 1.3546 3.8537 3.8537 3.8702 3.8702 7.0924 7.0924 7.5077 7.5077 8.2911 8.2911 8.4615 8.4615 12.8703 12.8703 13.0389 13.0389 15.2343 15.2343 15.3009 15.3009 k = 0.4138 0.4380 0.3081 ( 2338 PWs) bands (ev): -4.4703 -4.4703 -4.4069 -4.4069 -1.9803 -1.9803 -1.8837 -1.8837 -1.5060 -1.5060 -1.1529 -1.1529 0.0098 0.0098 0.0861 0.0861 0.3467 0.3467 0.4089 0.4089 1.0166 1.0166 1.3745 1.3745 3.8582 3.8582 3.8755 3.8755 7.0171 7.0171 7.4406 7.4406 8.3048 8.3048 8.4638 8.4638 12.9317 12.9317 13.1028 13.1028 15.2493 15.2493 15.3236 15.3236 k = 0.4080 0.4479 0.3081 ( 2342 PWs) bands (ev): -4.4698 -4.4698 -4.4035 -4.4035 -1.9799 -1.9799 -1.8760 -1.8760 -1.5178 -1.5178 -1.1476 -1.1476 0.0130 0.0130 0.0950 0.0950 0.3423 0.3423 0.4068 0.4068 1.0224 1.0224 1.3940 1.3940 3.8623 3.8623 3.8803 3.8803 6.9438 6.9438 7.3748 7.3748 8.3181 8.3181 8.4660 8.4660 12.9921 12.9921 13.1649 13.1649 15.2655 15.2655 15.3479 15.3479 k = 0.4023 0.4579 0.3081 ( 2342 PWs) bands (ev): -4.4692 -4.4692 -4.4001 -4.4001 -1.9794 -1.9794 -1.8683 -1.8683 -1.5290 -1.5290 -1.1427 -1.1427 0.0160 0.0160 0.1039 0.1039 0.3380 0.3380 0.4047 0.4047 1.0291 1.0291 1.4131 1.4131 3.8659 3.8659 3.8845 3.8845 6.8733 6.8733 7.3110 7.3110 8.3309 8.3309 8.4679 8.4679 13.0507 13.0507 13.2247 13.2247 15.2829 15.2829 15.3739 15.3739 k = 0.3966 0.4679 0.3081 ( 2340 PWs) bands (ev): -4.4686 -4.4686 -4.3970 -4.3970 -1.9790 -1.9790 -1.8606 -1.8606 -1.5395 -1.5395 -1.1384 -1.1384 0.0189 0.0189 0.1127 0.1127 0.3339 0.3339 0.4027 0.4027 1.0367 1.0367 1.4315 1.4315 3.8689 3.8689 3.8878 3.8878 6.8061 6.8061 7.2499 7.2499 8.3432 8.3432 8.4697 8.4697 13.1068 13.1068 13.2816 13.2816 15.3016 15.3016 15.4015 15.4015 k = 0.3908 0.4778 0.3081 ( 2336 PWs) bands (ev): -4.4679 -4.4679 -4.3940 -4.3940 -1.9784 -1.9784 -1.8531 -1.8531 -1.5493 -1.5493 -1.1344 -1.1344 0.0217 0.0217 0.1212 0.1212 0.3299 0.3299 0.4009 0.4009 1.0449 1.0449 1.4492 1.4492 3.8711 3.8711 3.8903 3.8903 6.7428 6.7428 7.1919 7.1919 8.3549 8.3549 8.4712 8.4712 13.1599 13.1599 13.3351 13.3351 15.3216 15.3216 15.4307 15.4307 k = 0.3851 0.4878 0.3081 ( 2336 PWs) bands (ev): -4.4672 -4.4672 -4.3913 -4.3913 -1.9779 -1.9779 -1.8458 -1.8458 -1.5583 -1.5583 -1.1310 -1.1310 0.0242 0.0242 0.1293 0.1293 0.3261 0.3261 0.3993 0.3993 1.0535 1.0535 1.4660 1.4660 3.8725 3.8725 3.8919 3.8919 6.6841 6.6841 7.1378 7.1378 8.3661 8.3661 8.4725 8.4725 13.2093 13.2093 13.3847 13.3847 15.3431 15.3431 15.4613 15.4613 k = 0.3793 0.4977 0.3081 ( 2340 PWs) bands (ev): -4.4665 -4.4665 -4.3887 -4.3887 -1.9775 -1.9775 -1.8390 -1.8390 -1.5665 -1.5665 -1.1279 -1.1279 0.0264 0.0264 0.1369 0.1369 0.3226 0.3226 0.3978 0.3978 1.0623 1.0623 1.4818 1.4818 3.8732 3.8732 3.8925 3.8925 6.6304 6.6304 7.0879 7.0879 8.3766 8.3766 8.4735 8.4735 13.2545 13.2545 13.4300 13.4300 15.3660 15.3660 15.4932 15.4932 k = 0.3736 0.5077 0.3081 ( 2336 PWs) bands (ev): -4.4659 -4.4659 -4.3865 -4.3865 -1.9770 -1.9770 -1.8326 -1.8326 -1.5737 -1.5737 -1.1252 -1.1252 0.0284 0.0284 0.1439 0.1439 0.3195 0.3195 0.3966 0.3966 1.0712 1.0712 1.4964 1.4964 3.8730 3.8730 3.8922 3.8922 6.5822 6.5822 7.0429 7.0429 8.3865 8.3865 8.4742 8.4742 13.2951 13.2951 13.4705 13.4705 15.3906 15.3906 15.5259 15.5259 k = 0.3678 0.5176 0.3081 ( 2332 PWs) bands (ev): -4.4652 -4.4652 -4.3845 -4.3845 -1.9766 -1.9766 -1.8268 -1.8268 -1.5800 -1.5800 -1.1229 -1.1229 0.0301 0.0301 0.1501 0.1501 0.3167 0.3167 0.3957 0.3957 1.0797 1.0797 1.5097 1.5097 3.8721 3.8721 3.8910 3.8910 6.5399 6.5399 7.0031 7.0031 8.3955 8.3955 8.4747 8.4747 13.3308 13.3308 13.5060 13.5060 15.4167 15.4167 15.5585 15.5585 k = 0.3621 0.5276 0.3081 ( 2328 PWs) bands (ev): -4.4646 -4.4646 -4.3827 -4.3827 -1.9762 -1.9762 -1.8217 -1.8217 -1.5852 -1.5852 -1.1209 -1.1209 0.0315 0.0315 0.1555 0.1555 0.3144 0.3144 0.3949 0.3949 1.0878 1.0878 1.5214 1.5214 3.8705 3.8705 3.8891 3.8891 6.5039 6.5039 6.9689 6.9689 8.4036 8.4036 8.4748 8.4748 13.3612 13.3612 13.5363 13.5363 15.4444 15.4444 15.5895 15.5895 k = 0.3563 0.5375 0.3081 ( 2336 PWs) bands (ev): -4.4641 -4.4641 -4.3813 -4.3813 -1.9759 -1.9759 -1.8176 -1.8176 -1.5893 -1.5893 -1.1193 -1.1193 0.0326 0.0326 0.1599 0.1599 0.3126 0.3126 0.3944 0.3944 1.0950 1.0950 1.5314 1.5314 3.8686 3.8686 3.8868 3.8868 6.4742 6.4742 6.9406 6.9406 8.4107 8.4107 8.4747 8.4747 13.3861 13.3861 13.5610 13.5610 15.4735 15.4735 15.6159 15.6159 k = 0.3506 0.5475 0.3081 ( 2336 PWs) bands (ev): -4.4637 -4.4637 -4.3802 -4.3802 -1.9757 -1.9757 -1.8143 -1.8143 -1.5924 -1.5924 -1.1181 -1.1181 0.0335 0.0335 0.1633 0.1633 0.3113 0.3113 0.3940 0.3940 1.1011 1.1011 1.5396 1.5396 3.8664 3.8664 3.8842 3.8842 6.4512 6.4512 6.9185 6.9185 8.4165 8.4165 8.4744 8.4744 13.4053 13.4053 13.5802 13.5802 15.5037 15.5037 15.6332 15.6332 k = 0.3448 0.5574 0.3081 ( 2330 PWs) bands (ev): -4.4634 -4.4634 -4.3794 -4.3794 -1.9755 -1.9755 -1.8119 -1.8119 -1.5945 -1.5945 -1.1172 -1.1172 0.0341 0.0341 0.1657 0.1657 0.3104 0.3104 0.3938 0.3938 1.1058 1.1058 1.5456 1.5456 3.8644 3.8644 3.8818 3.8818 6.4348 6.4348 6.9026 6.9026 8.4210 8.4210 8.4741 8.4741 13.4190 13.4190 13.5937 13.5937 15.5344 15.5344 15.6363 15.6363 k = 0.3391 0.5674 0.3081 ( 2326 PWs) bands (ev): -4.4632 -4.4632 -4.3789 -4.3789 -1.9754 -1.9754 -1.8105 -1.8105 -1.5957 -1.5957 -1.1166 -1.1166 0.0344 0.0344 0.1670 0.1670 0.3100 0.3100 0.3938 0.3938 1.1089 1.1089 1.5494 1.5494 3.8629 3.8629 3.8800 3.8800 6.4250 6.4250 6.8931 6.8931 8.4238 8.4238 8.4738 8.4738 13.4270 13.4270 13.6018 13.6018 15.5640 15.5640 15.6247 15.6247 k = 0.3333 0.5774 0.3081 ( 2322 PWs) bands (ev): -4.4631 -4.4631 -4.3787 -4.3787 -1.9754 -1.9754 -1.8101 -1.8101 -1.5960 -1.5960 -1.1164 -1.1164 0.0346 0.0346 0.1675 0.1675 0.3099 0.3099 0.3938 0.3938 1.1099 1.1099 1.5507 1.5507 3.8623 3.8623 3.8793 3.8793 6.4218 6.4218 6.8900 6.8900 8.4247 8.4247 8.4737 8.4737 13.4297 13.4297 13.6044 13.6044 15.5830 15.5830 15.6109 15.6109 k = 0.3333 0.5774 0.3081 ( 2322 PWs) bands (ev): -4.4631 -4.4631 -4.3787 -4.3787 -1.9754 -1.9754 -1.8101 -1.8101 -1.5960 -1.5960 -1.1164 -1.1164 0.0346 0.0346 0.1675 0.1675 0.3099 0.3099 0.3938 0.3938 1.1099 1.1099 1.5507 1.5507 3.8623 3.8623 3.8793 3.8793 6.4218 6.4218 6.8900 6.8900 8.4247 8.4247 8.4737 8.4737 13.4297 13.4297 13.6044 13.6044 15.5830 15.5830 15.6109 15.6109 k = 0.3276 0.5674 0.3081 ( 2322 PWs) bands (ev): -4.4632 -4.4632 -4.3789 -4.3789 -1.9754 -1.9754 -1.8105 -1.8105 -1.5957 -1.5957 -1.1166 -1.1166 0.0345 0.0345 0.1671 0.1671 0.3100 0.3100 0.3938 0.3938 1.1088 1.1088 1.5493 1.5493 3.8631 3.8631 3.8802 3.8802 6.4249 6.4249 6.8931 6.8931 8.4238 8.4238 8.4738 8.4738 13.4271 13.4271 13.6018 13.6018 15.5636 15.5636 15.6256 15.6256 k = 0.3218 0.5574 0.3081 ( 2330 PWs) bands (ev): -4.4634 -4.4634 -4.3794 -4.3794 -1.9755 -1.9755 -1.8117 -1.8117 -1.5949 -1.5949 -1.1172 -1.1172 0.0341 0.0341 0.1659 0.1659 0.3101 0.3101 0.3937 0.3937 1.1052 1.1052 1.5451 1.5451 3.8656 3.8656 3.8831 3.8831 6.4343 6.4343 6.9024 6.9024 8.4209 8.4209 8.4740 8.4740 13.4197 13.4197 13.5944 13.5944 15.5331 15.5331 15.6416 15.6416 k = 0.3161 0.5475 0.3081 ( 2332 PWs) bands (ev): -4.4638 -4.4638 -4.3802 -4.3802 -1.9757 -1.9757 -1.8136 -1.8136 -1.5939 -1.5939 -1.1182 -1.1182 0.0336 0.0336 0.1641 0.1641 0.3103 0.3103 0.3936 0.3936 1.0990 1.0990 1.5380 1.5380 3.8705 3.8705 3.8887 3.8887 6.4496 6.4496 6.9176 6.9176 8.4164 8.4164 8.4740 8.4740 13.4076 13.4076 13.5824 13.5824 15.5016 15.5016 15.6471 15.6471 k = 0.3103 0.5375 0.3081 ( 2336 PWs) bands (ev): -4.4644 -4.4644 -4.3814 -4.3814 -1.9759 -1.9759 -1.8161 -1.8161 -1.5927 -1.5927 -1.1197 -1.1197 0.0329 0.0329 0.1617 0.1617 0.3103 0.3103 0.3934 0.3934 1.0901 1.0901 1.5277 1.5277 3.8783 3.8783 3.8973 3.8973 6.4706 6.4706 6.9386 6.9386 8.4104 8.4104 8.4738 8.4738 13.3914 13.3914 13.5662 13.5662 15.4710 15.4710 15.6406 15.6406 k = 0.3046 0.5276 0.3081 ( 2344 PWs) bands (ev): -4.4652 -4.4652 -4.3829 -4.3829 -1.9762 -1.9762 -1.8190 -1.8190 -1.5915 -1.5915 -1.1217 -1.1217 0.0320 0.0320 0.1588 0.1588 0.3100 0.3100 0.3930 0.3930 1.0784 1.0784 1.5143 1.5143 3.8893 3.8893 3.9092 3.9092 6.4970 6.4970 6.9650 6.9650 8.4030 8.4030 8.4731 8.4731 13.3714 13.3714 13.5462 13.5462 15.4418 15.4418 15.6253 15.6253 k = 0.2989 0.5176 0.3081 ( 2340 PWs) bands (ev): -4.4662 -4.4662 -4.3847 -4.3847 -1.9766 -1.9766 -1.8223 -1.8223 -1.5906 -1.5906 -1.1243 -1.1243 0.0310 0.0310 0.1556 0.1556 0.3094 0.3094 0.3925 0.3925 1.0639 1.0639 1.4976 1.4976 3.9040 3.9040 3.9249 3.9249 6.5284 6.5285 6.9966 6.9966 8.3943 8.3943 8.4718 8.4718 13.3480 13.3480 13.5228 13.5228 15.4144 15.4144 15.6050 15.6050 k = 0.2931 0.5077 0.3081 ( 2340 PWs) bands (ev): -4.4674 -4.4674 -4.3869 -4.3869 -1.9770 -1.9770 -1.8260 -1.8260 -1.5900 -1.5900 -1.1274 -1.1274 0.0298 0.0298 0.1520 0.1520 0.3083 0.3083 0.3918 0.3918 1.0469 1.0469 1.4778 1.4778 3.9227 3.9227 3.9445 3.9445 6.5647 6.5647 7.0331 7.0331 8.3846 8.3846 8.4699 8.4699 13.3216 13.3216 13.4964 13.4964 15.3889 15.3889 15.5827 15.5827 k = 0.2874 0.4977 0.3081 ( 2328 PWs) bands (ev): -4.4688 -4.4688 -4.3894 -4.3894 -1.9774 -1.9774 -1.8298 -1.8298 -1.5899 -1.5899 -1.1312 -1.1312 0.0285 0.0285 0.1482 0.1482 0.3068 0.3068 0.3908 0.3908 1.0273 1.0273 1.4548 1.4548 3.9457 3.9457 3.9683 3.9683 6.6054 6.6054 7.0742 7.0742 8.3739 8.3739 8.4673 8.4673 13.2925 13.2925 13.4674 13.4674 15.3651 15.3651 15.5602 15.5602 k = 0.2816 0.4878 0.3081 ( 2328 PWs) bands (ev): -4.4705 -4.4705 -4.3923 -4.3923 -1.9779 -1.9779 -1.8339 -1.8339 -1.5903 -1.5903 -1.1357 -1.1357 0.0269 0.0269 0.1441 0.1441 0.3047 0.3047 0.3896 0.3896 1.0054 1.0054 1.4288 1.4288 3.9731 3.9731 3.9963 3.9963 6.6501 6.6501 7.1194 7.1194 8.3623 8.3623 8.4640 8.4640 13.2612 13.2612 13.4362 13.4362 15.3432 15.3432 15.5381 15.5381 k = 0.2759 0.4778 0.3081 ( 2336 PWs) bands (ev): -4.4724 -4.4724 -4.3955 -4.3955 -1.9784 -1.9784 -1.8382 -1.8382 -1.5914 -1.5914 -1.1409 -1.1409 0.0252 0.0252 0.1399 0.1399 0.3020 0.3020 0.3882 0.3882 0.9814 0.9814 1.4000 1.4000 4.0050 4.0050 4.0286 4.0286 6.6987 6.6987 7.1686 7.1686 8.3499 8.3499 8.4600 8.4600 13.2278 13.2278 13.4029 13.4029 15.3230 15.3230 15.5172 15.5172 k = 0.2701 0.4679 0.3081 ( 2336 PWs) bands (ev): -4.4746 -4.4746 -4.3990 -4.3990 -1.9789 -1.9789 -1.8425 -1.8425 -1.5933 -1.5933 -1.1469 -1.1469 0.0233 0.0233 0.1355 0.1355 0.2987 0.2987 0.3865 0.3865 0.9558 0.9558 1.3686 1.3686 4.0413 4.0413 4.0653 4.0653 6.7508 6.7508 7.2213 7.2213 8.3368 8.3368 8.4553 8.4553 13.1928 13.1928 13.3680 13.3680 15.3045 15.3045 15.4977 15.4977 k = 0.2644 0.4579 0.3081 ( 2338 PWs) bands (ev): -4.4771 -4.4771 -4.4028 -4.4028 -1.9795 -1.9795 -1.8469 -1.8469 -1.5958 -1.5958 -1.1538 -1.1538 0.0212 0.0212 0.1310 0.1310 0.2948 0.2948 0.3846 0.3846 0.9287 0.9287 1.3349 1.3349 4.0819 4.0819 4.1064 4.1064 6.8062 6.8062 7.2772 7.2772 8.3231 8.3231 8.4501 8.4501 13.1564 13.1564 13.3317 13.3317 15.2876 15.2876 15.4796 15.4796 k = 0.2586 0.4479 0.3081 ( 2338 PWs) bands (ev): -4.4798 -4.4798 -4.4070 -4.4070 -1.9801 -1.9801 -1.8514 -1.8514 -1.5992 -1.5992 -1.1616 -1.1616 0.0188 0.0188 0.1263 0.1263 0.2902 0.2902 0.3824 0.3824 0.9005 0.9005 1.2992 1.2992 4.1266 4.1266 4.1518 4.1518 6.8644 6.8644 7.3361 7.3361 8.3090 8.3090 8.4443 8.4443 13.1186 13.1186 13.2942 13.2942 15.2724 15.2724 15.4632 15.4632 k = 0.2529 0.4380 0.3081 ( 2334 PWs) bands (ev): -4.4828 -4.4828 -4.4115 -4.4115 -1.9807 -1.9807 -1.8560 -1.8560 -1.6034 -1.6034 -1.1704 -1.1704 0.0162 0.0162 0.1217 0.1217 0.2851 0.2851 0.3800 0.3800 0.8716 0.8716 1.2618 1.2618 4.1752 4.1752 4.2013 4.2013 6.9253 6.9253 7.3976 7.3976 8.2946 8.2946 8.4382 8.4382 13.0799 13.0799 13.2557 13.2557 15.2587 15.2587 15.4484 15.4484 k = 0.2471 0.4280 0.3081 ( 2338 PWs) bands (ev): -4.4861 -4.4861 -4.4164 -4.4164 -1.9812 -1.9812 -1.8606 -1.8606 -1.6084 -1.6084 -1.1801 -1.1801 0.0133 0.0133 0.1169 0.1169 0.2794 0.2794 0.3774 0.3774 0.8422 0.8422 1.2230 1.2230 4.2272 4.2272 4.2549 4.2549 6.9885 6.9885 7.4612 7.4612 8.2799 8.2799 8.4319 8.4319 13.0402 13.0402 13.2163 13.2163 15.2467 15.2467 15.4353 15.4353 k = 0.2414 0.4181 0.3081 ( 2338 PWs) bands (ev): -4.4898 -4.4898 -4.4215 -4.4215 -1.9818 -1.9818 -1.8652 -1.8652 -1.6143 -1.6143 -1.1908 -1.1908 0.0102 0.0102 0.1121 0.1121 0.2732 0.2732 0.3745 0.3745 0.8127 0.8127 1.1833 1.1833 4.2826 4.2826 4.3122 4.3122 7.0536 7.0536 7.5269 7.5269 8.2654 8.2654 8.4254 8.4254 12.9997 12.9997 13.1761 13.1761 15.2363 15.2363 15.4239 15.4239 k = 0.2356 0.4081 0.3081 ( 2340 PWs) bands (ev): -4.4937 -4.4937 -4.4270 -4.4270 -1.9824 -1.9824 -1.8699 -1.8699 -1.6209 -1.6209 -1.2024 -1.2024 0.0067 0.0067 0.1072 0.1072 0.2665 0.2665 0.3714 0.3714 0.7832 0.7832 1.1429 1.1429 4.3411 4.3411 4.3731 4.3731 7.1205 7.1205 7.5941 7.5941 8.2510 8.2510 8.4191 8.4191 12.9584 12.9584 13.1353 13.1353 15.2275 15.2275 15.4143 15.4143 k = 0.2299 0.3982 0.3081 ( 2354 PWs) bands (ev): -4.4980 -4.4980 -4.4329 -4.4329 -1.9830 -1.9830 -1.8746 -1.8746 -1.6284 -1.6284 -1.2151 -1.2151 0.0029 0.0029 0.1023 0.1023 0.2594 0.2594 0.3680 0.3680 0.7540 0.7540 1.1021 1.1021 4.4023 4.4023 4.4371 4.4371 7.1888 7.1888 7.6625 7.6625 8.2371 8.2371 8.4130 8.4130 12.9165 12.9165 13.0937 13.0937 15.2204 15.2204 15.4065 15.4065 k = 0.2241 0.3882 0.3081 ( 2350 PWs) bands (ev): -4.5027 -4.5027 -4.4390 -4.4390 -1.9836 -1.9836 -1.8793 -1.8793 -1.6367 -1.6367 -1.2287 -1.2287 -0.0012 -0.0012 0.0973 0.0973 0.2520 0.2520 0.3644 0.3644 0.7254 0.7254 1.0614 1.0614 4.4660 4.4660 4.5039 4.5039 7.2581 7.2581 7.7318 7.7318 8.2241 8.2241 8.4075 8.4075 12.8740 12.8740 13.0515 13.0515 15.2151 15.2151 15.4006 15.4006 k = 0.2184 0.3783 0.3081 ( 2350 PWs) bands (ev): -4.5076 -4.5076 -4.4455 -4.4455 -1.9841 -1.9841 -1.8840 -1.8840 -1.6457 -1.6457 -1.2432 -1.2432 -0.0055 -0.0055 0.0923 0.0923 0.2444 0.2444 0.3606 0.3606 0.6975 0.6975 1.0210 1.0210 4.5319 4.5319 4.5731 4.5731 7.3281 7.3281 7.8014 7.8014 8.2122 8.2122 8.4029 8.4029 12.8308 12.8308 13.0087 13.0087 15.2117 15.2117 15.3965 15.3965 k = 0.2126 0.3683 0.3081 ( 2358 PWs) bands (ev): -4.5130 -4.5130 -4.4523 -4.4523 -1.9847 -1.9847 -1.8888 -1.8888 -1.6554 -1.6554 -1.2585 -1.2585 -0.0102 -0.0102 0.0871 0.0871 0.2367 0.2367 0.3565 0.3565 0.6703 0.6703 0.9811 0.9811 4.5998 4.5998 4.6444 4.6444 7.3983 7.3983 7.8709 7.8709 8.2020 8.2020 8.3995 8.3995 12.7870 12.7870 12.9651 12.9651 15.2101 15.2101 15.3945 15.3945 k = 0.2069 0.3584 0.3081 ( 2362 PWs) bands (ev): -4.5186 -4.5186 -4.4594 -4.4594 -1.9853 -1.9853 -1.8936 -1.8936 -1.6658 -1.6658 -1.2746 -1.2746 -0.0150 -0.0150 0.0817 0.0817 0.2289 0.2289 0.3522 0.3522 0.6441 0.6441 0.9421 0.9421 4.6693 4.6693 4.7173 4.7173 7.4682 7.4682 7.9395 7.9395 8.1942 8.1942 8.3979 8.3979 12.7426 12.7426 12.9209 12.9209 15.2106 15.2106 15.3945 15.3945 k = 0.2011 0.3484 0.3081 ( 2362 PWs) bands (ev): -4.5246 -4.5246 -4.4669 -4.4669 -1.9859 -1.9859 -1.8984 -1.8984 -1.6767 -1.6767 -1.2914 -1.2914 -0.0201 -0.0201 0.0761 0.0761 0.2212 0.2212 0.3477 0.3477 0.6189 0.6189 0.9041 0.9041 4.7402 4.7402 4.7914 4.7914 7.5373 7.5373 8.0058 8.0058 8.1901 8.1901 8.3988 8.3988 12.6975 12.6975 12.8759 12.8759 15.2131 15.2131 15.3965 15.3965 k = 0.1954 0.3384 0.3081 ( 2362 PWs) bands (ev): -4.5310 -4.5310 -4.4746 -4.4746 -1.9865 -1.9865 -1.9033 -1.9033 -1.6882 -1.6882 -1.3088 -1.3088 -0.0253 -0.0253 0.0702 0.0702 0.2137 0.2137 0.3429 0.3429 0.5947 0.5947 0.8673 0.8673 4.8120 4.8120 4.8665 4.8665 7.6048 7.6048 8.0670 8.0670 8.1922 8.1922 8.4029 8.4029 12.6517 12.6517 12.8302 12.8302 15.2178 15.2178 15.4006 15.4006 k = 0.1897 0.3285 0.3081 ( 2358 PWs) bands (ev): -4.5377 -4.5377 -4.4827 -4.4827 -1.9872 -1.9872 -1.9081 -1.9081 -1.7002 -1.7002 -1.3266 -1.3266 -0.0306 -0.0306 0.0640 0.0640 0.2064 0.2064 0.3380 0.3380 0.5716 0.5716 0.8319 0.8319 4.8845 4.8845 4.9419 4.9419 7.6698 7.6698 8.1167 8.1167 8.2065 8.2065 8.4119 8.4119 12.6051 12.6051 12.7836 12.7836 15.2247 15.2247 15.4069 15.4069 k = 0.1839 0.3185 0.3081 ( 2358 PWs) bands (ev): -4.5447 -4.5447 -4.4910 -4.4910 -1.9879 -1.9879 -1.9130 -1.9130 -1.7126 -1.7126 -1.3448 -1.3448 -0.0360 -0.0360 0.0572 0.0572 0.1994 0.1994 0.3328 0.3328 0.5497 0.5497 0.7981 0.7981 4.9571 4.9571 5.0174 5.0174 7.7313 7.7313 8.1479 8.1479 8.2389 8.2389 8.4277 8.4277 12.5578 12.5578 12.7361 12.7361 15.2339 15.2339 15.4154 15.4154 k = 0.1782 0.3086 0.3081 ( 2350 PWs) bands (ev): -4.5520 -4.5520 -4.4997 -4.4997 -1.9887 -1.9887 -1.9178 -1.9178 -1.7253 -1.7253 -1.3633 -1.3633 -0.0414 -0.0414 0.0500 0.0500 0.1929 0.1929 0.3274 0.3274 0.5290 0.5290 0.7658 0.7658 5.0297 5.0297 5.0926 5.0926 7.7881 7.7881 8.1681 8.1681 8.2808 8.2808 8.4531 8.4531 12.5096 12.5096 12.6877 12.6877 15.2454 15.2454 15.4260 15.4260 k = 0.1724 0.2986 0.3081 ( 2354 PWs) bands (ev): -4.5596 -4.5596 -4.5086 -4.5086 -1.9896 -1.9896 -1.9227 -1.9227 -1.7382 -1.7382 -1.3818 -1.3818 -0.0468 -0.0468 0.0422 0.0422 0.1869 0.1869 0.3219 0.3219 0.5095 0.5095 0.7351 0.7351 5.1017 5.1017 5.1670 5.1670 7.8389 7.8389 8.1881 8.1881 8.3207 8.3207 8.4898 8.4898 12.4605 12.4605 12.6382 12.6382 15.2593 15.2593 15.4387 15.4387 k = 0.1667 0.2887 0.3081 ( 2358 PWs) bands (ev): -4.5676 -4.5676 -4.5177 -4.5177 -1.9907 -1.9907 -1.9276 -1.9276 -1.7512 -1.7512 -1.4004 -1.4004 -0.0522 -0.0522 0.0338 0.0338 0.1814 0.1814 0.3162 0.3162 0.4913 0.4913 0.7060 0.7060 5.1727 5.1727 5.2403 5.2403 7.8832 7.8832 8.2118 8.2118 8.3566 8.3566 8.5367 8.5367 12.4104 12.4104 12.5877 12.5877 15.2754 15.2754 15.4535 15.4535 k = 0.1609 0.2787 0.3081 ( 2354 PWs) bands (ev): -4.5757 -4.5757 -4.5271 -4.5271 -1.9919 -1.9919 -1.9324 -1.9324 -1.7641 -1.7641 -1.4189 -1.4189 -0.0575 -0.0575 0.0248 0.0248 0.1765 0.1765 0.3105 0.3105 0.4744 0.4744 0.6785 0.6785 5.2424 5.2424 5.3120 5.3120 7.9213 7.9213 8.2399 8.2399 8.3916 8.3916 8.5902 8.5902 12.3593 12.3593 12.5360 12.5360 15.2939 15.2939 15.4702 15.4702 k = 0.1552 0.2688 0.3081 ( 2366 PWs) bands (ev): -4.5842 -4.5842 -4.5368 -4.5368 -1.9934 -1.9934 -1.9373 -1.9373 -1.7769 -1.7769 -1.4373 -1.4373 -0.0628 -0.0628 0.0152 0.0152 0.1722 0.1722 0.3047 0.3047 0.4588 0.4588 0.6525 0.6525 5.3103 5.3103 5.3817 5.3817 7.9544 7.9544 8.2709 8.2709 8.4289 8.4289 8.6471 8.6471 12.3071 12.3071 12.4832 12.4832 15.3146 15.3146 15.4888 15.4888 k = 0.1494 0.2588 0.3081 ( 2370 PWs) bands (ev): -4.5928 -4.5928 -4.5466 -4.5466 -1.9952 -1.9952 -1.9423 -1.9423 -1.7893 -1.7893 -1.4554 -1.4554 -0.0680 -0.0680 0.0051 0.0051 0.1685 0.1685 0.2989 0.2989 0.4444 0.4444 0.6280 0.6280 5.3761 5.3761 5.4490 5.4490 7.9844 7.9844 8.3034 8.3034 8.4708 8.4708 8.7052 8.7052 12.2539 12.2539 12.4293 12.4293 15.3373 15.3373 15.5090 15.5090 k = 0.1437 0.2489 0.3081 ( 2366 PWs) bands (ev): -4.6016 -4.6016 -4.5566 -4.5566 -1.9972 -1.9972 -1.9473 -1.9473 -1.8012 -1.8012 -1.4732 -1.4732 -0.0733 -0.0733 -0.0053 -0.0053 0.1653 0.1653 0.2932 0.2932 0.4313 0.4313 0.6049 0.6049 5.4393 5.4393 5.5136 5.5136 8.0134 8.0134 8.3366 8.3366 8.5174 8.5174 8.7632 8.7632 12.1996 12.1996 12.3741 12.3741 15.3621 15.3621 15.5306 15.5306 k = 0.1379 0.2389 0.3081 ( 2370 PWs) bands (ev): -4.6105 -4.6105 -4.5668 -4.5668 -1.9996 -1.9996 -1.9524 -1.9524 -1.8123 -1.8123 -1.4906 -1.4906 -0.0785 -0.0785 -0.0161 -0.0161 0.1628 0.1628 0.2877 0.2877 0.4194 0.4194 0.5831 0.5831 5.4997 5.4997 5.5752 5.5752 8.0429 8.0429 8.3707 8.3707 8.5680 8.5680 8.8201 8.8201 12.1441 12.1441 12.3178 12.3178 15.3886 15.3886 15.5535 15.5535 k = 0.1322 0.2289 0.3081 ( 2360 PWs) bands (ev): -4.6195 -4.6195 -4.5770 -4.5770 -2.0023 -2.0023 -1.9577 -1.9577 -1.8225 -1.8225 -1.5076 -1.5076 -0.0838 -0.0838 -0.0269 -0.0269 0.1607 0.1607 0.2825 0.2825 0.4086 0.4086 0.5625 0.5625 5.5569 5.5569 5.6333 5.6333 8.0744 8.0744 8.4062 8.4062 8.6212 8.6212 8.8754 8.8754 12.0875 12.0875 12.2603 12.2603 15.4167 15.4167 15.5772 15.5772 k = 0.1264 0.2190 0.3081 ( 2360 PWs) bands (ev): -4.6286 -4.6286 -4.5874 -4.5874 -2.0053 -2.0053 -1.9634 -1.9634 -1.8317 -1.8317 -1.5241 -1.5241 -0.0892 -0.0892 -0.0378 -0.0378 0.1592 0.1592 0.2776 0.2776 0.3987 0.3987 0.5429 0.5429 5.6108 5.6108 5.6877 5.6877 8.1088 8.1088 8.4437 8.4437 8.6759 8.6759 8.9288 8.9288 12.0297 12.0297 12.2015 12.2015 15.4460 15.4460 15.6015 15.6015 k = 0.1207 0.2090 0.3081 ( 2356 PWs) bands (ev): -4.6377 -4.6377 -4.5978 -4.5978 -2.0086 -2.0086 -1.9693 -1.9693 -1.8396 -1.8396 -1.5402 -1.5402 -0.0948 -0.0948 -0.0485 -0.0485 0.1582 0.1582 0.2732 0.2732 0.3898 0.3898 0.5244 0.5244 5.6611 5.6611 5.7382 5.7382 8.1467 8.1467 8.4838 8.4838 8.7310 8.7310 8.9800 8.9800 11.9708 11.9708 12.1417 12.1417 15.4763 15.4763 15.6261 15.6261 k = 0.1149 0.1991 0.3081 ( 2356 PWs) bands (ev): -4.6467 -4.6467 -4.6082 -4.6082 -2.0121 -2.0121 -1.9757 -1.9757 -1.8461 -1.8461 -1.5558 -1.5558 -0.1006 -0.1006 -0.0590 -0.0590 0.1578 0.1578 0.2692 0.2692 0.3817 0.3817 0.5067 0.5067 5.7077 5.7077 5.7845 5.7845 8.1886 8.1886 8.5268 8.5268 8.7858 8.7858 9.0288 9.0288 11.9108 11.9108 12.0806 12.0806 15.5071 15.5071 15.6506 15.6506 k = 0.1092 0.1891 0.3081 ( 2356 PWs) bands (ev): -4.6557 -4.6557 -4.6186 -4.6186 -2.0159 -2.0159 -1.9825 -1.9825 -1.8513 -1.8513 -1.5709 -1.5709 -0.1066 -0.1066 -0.0690 -0.0690 0.1578 0.1578 0.2658 0.2658 0.3743 0.3743 0.4899 0.4899 5.7506 5.7506 5.8267 5.8267 8.2348 8.2348 8.5729 8.5729 8.8396 8.8396 9.0750 9.0750 11.8497 11.8497 12.0186 12.0186 15.5381 15.5381 15.6746 15.6746 k = 0.1034 0.1792 0.3081 ( 2360 PWs) bands (ev): -4.6645 -4.6645 -4.6289 -4.6289 -2.0199 -2.0199 -1.9896 -1.9896 -1.8550 -1.8550 -1.5855 -1.5855 -0.1128 -0.1128 -0.0785 -0.0785 0.1583 0.1583 0.2628 0.2628 0.3675 0.3675 0.4739 0.4739 5.7898 5.7898 5.8647 5.8647 8.2852 8.2852 8.6220 8.6220 8.8920 8.8920 9.1186 9.1186 11.7877 11.7877 11.9555 11.9555 15.5690 15.5690 15.6978 15.6978 k = 0.0977 0.1692 0.3081 ( 2360 PWs) bands (ev): -4.6732 -4.6732 -4.6390 -4.6390 -2.0241 -2.0241 -1.9970 -1.9970 -1.8574 -1.8574 -1.5997 -1.5997 -0.1192 -0.1192 -0.0874 -0.0874 0.1594 0.1594 0.2604 0.2604 0.3612 0.3612 0.4585 0.4585 5.8253 5.8253 5.8985 5.8985 8.3400 8.3400 8.6741 8.6741 8.9427 8.9427 9.1594 9.1594 11.7248 11.7248 11.8915 11.8915 15.5993 15.5993 15.7200 15.7200 k = 0.0920 0.1593 0.3081 ( 2360 PWs) bands (ev): -4.6816 -4.6816 -4.6490 -4.6490 -2.0282 -2.0282 -2.0045 -2.0045 -1.8586 -1.8586 -1.6134 -1.6134 -0.1258 -0.1258 -0.0957 -0.0957 0.1609 0.1609 0.2585 0.2585 0.3553 0.3553 0.4438 0.4438 5.8574 5.8574 5.9283 5.9283 8.3987 8.3987 8.7288 8.7288 8.9915 8.9915 9.1974 9.1974 11.6612 11.6612 11.8266 11.8266 15.6287 15.6287 15.7408 15.7408 k = 0.0862 0.1493 0.3081 ( 2358 PWs) bands (ev): -4.6897 -4.6897 -4.6588 -4.6588 -2.0325 -2.0325 -2.0120 -2.0120 -1.8587 -1.8587 -1.6267 -1.6267 -0.1324 -0.1324 -0.1034 -0.1034 0.1630 0.1630 0.2571 0.2571 0.3499 0.3499 0.4297 0.4297 5.8860 5.8860 5.9543 5.9543 8.4612 8.4612 8.7859 8.7859 9.0380 9.0380 9.2326 9.2326 11.5971 11.5971 11.7611 11.7611 15.6567 15.6567 15.7601 15.7601 k = 0.0805 0.1394 0.3081 ( 2358 PWs) bands (ev): -4.6975 -4.6975 -4.6683 -4.6683 -2.0367 -2.0367 -2.0193 -2.0193 -1.8578 -1.8578 -1.6396 -1.6396 -0.1389 -0.1389 -0.1106 -0.1106 0.1656 0.1656 0.2561 0.2561 0.3448 0.3448 0.4161 0.4161 5.9115 5.9115 5.9767 5.9767 8.5269 8.5269 8.8449 8.8449 9.0823 9.0823 9.2649 9.2649 11.5326 11.5326 11.6951 11.6951 15.6832 15.6832 15.7777 15.7777 k = 0.0747 0.1294 0.3081 ( 2358 PWs) bands (ev): -4.7049 -4.7049 -4.6775 -4.6775 -2.0408 -2.0408 -2.0264 -2.0264 -1.8561 -1.8561 -1.6520 -1.6520 -0.1452 -0.1452 -0.1174 -0.1174 0.1686 0.1686 0.2555 0.2555 0.3401 0.3401 0.4031 0.4031 5.9340 5.9340 5.9957 5.9957 8.5955 8.5955 8.9053 8.9053 9.1242 9.1242 9.2944 9.2944 11.4681 11.4681 11.6287 11.6287 15.7078 15.7078 15.7936 15.7936 k = 0.0690 0.1195 0.3081 ( 2366 PWs) bands (ev): -4.7119 -4.7119 -4.6863 -4.6863 -2.0449 -2.0449 -2.0332 -2.0332 -1.8535 -1.8535 -1.6641 -1.6641 -0.1511 -0.1511 -0.1238 -0.1238 0.1721 0.1721 0.2552 0.2552 0.3355 0.3355 0.3906 0.3906 5.9539 5.9539 6.0117 6.0117 8.6664 8.6664 8.9663 8.9663 9.1636 9.1636 9.3210 9.3210 11.4039 11.4039 11.5622 11.5622 15.7305 15.7305 15.8076 15.8076 k = 0.0632 0.1095 0.3081 ( 2374 PWs) bands (ev): -4.7184 -4.7184 -4.6947 -4.6947 -2.0488 -2.0488 -2.0395 -2.0395 -1.8503 -1.8503 -1.6758 -1.6758 -0.1565 -0.1565 -0.1299 -0.1299 0.1761 0.1761 0.2553 0.2553 0.3313 0.3313 0.3786 0.3786 5.9712 5.9712 6.0249 6.0249 8.7388 8.7388 9.0273 9.0273 9.2006 9.2006 9.3447 9.3447 11.3405 11.3405 11.4958 11.4958 15.7510 15.7510 15.8198 15.8198 k = 0.0575 0.0995 0.3081 ( 2370 PWs) bands (ev): -4.7243 -4.7243 -4.7026 -4.7026 -2.0525 -2.0525 -2.0454 -2.0454 -1.8465 -1.8465 -1.6871 -1.6871 -0.1613 -0.1613 -0.1357 -0.1357 0.1806 0.1806 0.2555 0.2555 0.3272 0.3272 0.3671 0.3671 5.9864 5.9864 6.0357 6.0357 8.8123 8.8123 9.0875 9.0875 9.2350 9.2350 9.3657 9.3657 11.2784 11.2784 11.4300 11.4300 15.7694 15.7694 15.8303 15.8303 k = 0.0517 0.0896 0.3081 ( 2374 PWs) bands (ev): -4.7298 -4.7298 -4.7101 -4.7101 -2.0560 -2.0560 -2.0507 -2.0507 -1.8421 -1.8421 -1.6981 -1.6981 -0.1656 -0.1656 -0.1412 -0.1412 0.1854 0.1854 0.2559 0.2559 0.3234 0.3234 0.3562 0.3562 5.9996 5.9996 6.0443 6.0443 8.8859 8.8859 9.1458 9.1458 9.2670 9.2670 9.3838 9.3838 11.2183 11.2183 11.3651 11.3651 15.7856 15.7856 15.8390 15.8390 k = 0.0460 0.0796 0.3081 ( 2378 PWs) bands (ev): -4.7346 -4.7346 -4.7170 -4.7170 -2.0593 -2.0593 -2.0555 -2.0555 -1.8371 -1.8371 -1.7088 -1.7088 -0.1692 -0.1692 -0.1464 -0.1464 0.1907 0.1907 0.2563 0.2563 0.3198 0.3198 0.3458 0.3458 6.0110 6.0110 6.0510 6.0510 8.9588 8.9588 9.2010 9.2010 9.2968 9.2968 9.3992 9.3992 11.1612 11.1612 11.3016 11.3016 15.7998 15.7998 15.8462 15.8462 k = 0.0402 0.0697 0.3081 ( 2378 PWs) bands (ev): -4.7388 -4.7388 -4.7233 -4.7233 -2.0623 -2.0623 -2.0597 -2.0597 -1.8317 -1.8317 -1.7192 -1.7192 -0.1722 -0.1722 -0.1513 -0.1513 0.1963 0.1963 0.2566 0.2566 0.3163 0.3163 0.3361 0.3361 6.0208 6.0208 6.0560 6.0560 9.0302 9.0302 9.2516 9.2516 9.3244 9.3244 9.4119 9.4119 11.1079 11.1079 11.2402 11.2402 15.8122 15.8122 15.8519 15.8519 k = 0.0345 0.0597 0.3081 ( 2382 PWs) bands (ev): -4.7424 -4.7424 -4.7290 -4.7290 -2.0650 -2.0650 -2.0633 -2.0633 -1.8259 -1.8259 -1.7292 -1.7292 -0.1745 -0.1745 -0.1559 -0.1559 0.2022 0.2022 0.2567 0.2567 0.3131 0.3131 0.3273 0.3273 6.0293 6.0293 6.0596 6.0596 9.0988 9.0988 9.2959 9.2959 9.3504 9.3504 9.4219 9.4219 11.0597 11.0597 11.1816 11.1816 15.8228 15.8228 15.8561 15.8561 k = 0.0287 0.0498 0.3081 ( 2386 PWs) bands (ev): -4.7453 -4.7453 -4.7340 -4.7340 -2.0673 -2.0673 -2.0664 -2.0664 -1.8197 -1.8197 -1.7390 -1.7390 -0.1761 -0.1761 -0.1601 -0.1601 0.2083 0.2083 0.2563 0.2563 0.3102 0.3102 0.3194 0.3194 6.0366 6.0366 6.0619 6.0619 9.1637 9.1637 9.3319 9.3319 9.3752 9.3752 9.4292 9.4292 11.0178 11.0178 11.1266 11.1266 15.8317 15.8317 15.8591 15.8591 k = 0.0230 0.0398 0.3081 ( 2382 PWs) bands (ev): -4.7475 -4.7475 -4.7384 -4.7384 -2.0693 -2.0693 -2.0688 -2.0688 -1.8131 -1.8131 -1.7484 -1.7484 -0.1770 -0.1770 -0.1639 -0.1639 0.2147 0.2147 0.2552 0.2552 0.3075 0.3075 0.3128 0.3128 6.0428 6.0428 6.0631 6.0631 9.2235 9.2235 9.3589 9.3589 9.3981 9.3981 9.4339 9.4339 10.9838 10.9838 11.0765 11.0765 15.8393 15.8393 15.8610 15.8610 k = 0.0172 0.0299 0.3081 ( 2382 PWs) bands (ev): -4.7489 -4.7489 -4.7421 -4.7421 -2.0709 -2.0709 -2.0707 -2.0707 -1.8061 -1.8061 -1.7575 -1.7575 -0.1774 -0.1774 -0.1673 -0.1673 0.2212 0.2212 0.2531 0.2531 0.3052 0.3052 0.3076 0.3076 6.0481 6.0481 6.0633 6.0633 9.2767 9.2767 9.3778 9.3778 9.4167 9.4167 9.4360 9.4360 10.9590 10.9590 11.0323 11.0323 15.8456 15.8456 15.8617 15.8617 k = 0.0115 0.0199 0.3081 ( 2386 PWs) bands (ev): -4.7496 -4.7496 -4.7451 -4.7451 -2.0720 -2.0720 -2.0720 -2.0720 -1.7988 -1.7988 -1.7664 -1.7664 -0.1771 -0.1771 -0.1703 -0.1703 0.2277 0.2277 0.2498 0.2498 0.3033 0.3033 0.3041 0.3041 6.0525 6.0525 6.0627 6.0627 9.3217 9.3217 9.3890 9.3890 9.4288 9.4288 9.4361 9.4361 10.9445 10.9445 10.9953 10.9953 15.8508 15.8508 15.8614 15.8614 k = 0.0057 0.0100 0.3081 ( 2390 PWs) bands (ev): -4.7496 -4.7496 -4.7474 -4.7473 -2.0728 -2.0728 -2.0727 -2.0727 -1.7912 -1.7912 -1.7750 -1.7750 -0.1762 -0.1762 -0.1728 -0.1728 0.2340 0.2340 0.2454 0.2454 0.3020 0.3020 0.3021 0.3021 6.0562 6.0562 6.0613 6.0613 9.3568 9.3568 9.3910 9.3910 9.4344 9.4344 9.4355 9.4355 10.9409 10.9409 10.9670 10.9670 15.8549 15.8549 15.8602 15.8602 k = 0.0000 0.0000 0.3081 ( 2388 PWs) bands (ev): -4.7489 -4.7489 -4.7489 -4.7489 -2.0730 -2.0730 -2.0730 -2.0730 -1.7832 -1.7832 -1.7832 -1.7832 -0.1748 -0.1748 -0.1748 -0.1748 0.2400 0.2400 0.2400 0.2400 0.3015 0.3015 0.3015 0.3015 6.0591 6.0591 6.0591 6.0591 9.3804 9.3804 9.3804 9.3804 9.4356 9.4356 9.4356 9.4356 10.9486 10.9486 10.9486 10.9486 15.8580 15.8580 15.8580 15.8580 k = 0.5000 0.2887 0.3081 ( 2348 PWs) bands (ev): -4.4581 -4.4581 -4.4581 -4.4581 -1.9667 -1.9667 -1.9667 -1.9667 -1.2988 -1.2988 -1.2988 -1.2988 -0.0093 -0.0093 -0.0093 -0.0093 0.4073 0.4073 0.4073 0.4073 1.0902 1.0902 1.0902 1.0902 3.8088 3.8088 3.8088 3.8088 7.9751 7.9751 7.9751 7.9751 8.3050 8.3050 8.3050 8.3050 12.3514 12.3514 12.3514 12.3514 15.1406 15.1406 15.1406 15.1406 k = 0.5000 0.2887 0.2967 ( 2344 PWs) bands (ev): -4.4627 -4.4627 -4.4536 -4.4536 -1.9721 -1.9721 -1.9611 -1.9611 -1.3154 -1.3154 -1.2821 -1.2821 -0.0165 -0.0165 -0.0019 -0.0019 0.3983 0.3983 0.4162 0.4162 1.0796 1.0796 1.1010 1.1010 3.7836 3.7836 3.8358 3.8358 7.9198 7.9198 8.0219 8.0219 8.2624 8.2624 8.3511 8.3511 12.2903 12.2903 12.4157 12.4157 15.1213 15.1213 15.1585 15.1585 k = 0.5000 0.2887 0.2852 ( 2350 PWs) bands (ev): -4.4676 -4.4676 -4.4495 -4.4495 -1.9774 -1.9774 -1.9554 -1.9554 -1.3316 -1.3316 -1.2653 -1.2653 -0.0234 -0.0234 0.0059 0.0059 0.3892 0.3892 0.4249 0.4249 1.0692 1.0692 1.1120 1.1120 3.7604 3.7604 3.8646 3.8646 7.8586 7.8586 8.0530 8.0530 8.2319 8.2319 8.3969 8.3969 12.2333 12.2333 12.4827 12.4827 15.1006 15.1006 15.1745 15.1745 k = 0.5000 0.2887 0.2738 ( 2354 PWs) bands (ev): -4.4726 -4.4726 -4.4455 -4.4455 -1.9824 -1.9824 -1.9496 -1.9496 -1.3475 -1.3475 -1.2484 -1.2484 -0.0300 -0.0300 0.0138 0.0138 0.3802 0.3802 0.4334 0.4334 1.0590 1.0590 1.1230 1.1230 3.7394 3.7394 3.8950 3.8950 7.7925 7.7925 8.0552 8.0552 8.2275 8.2275 8.4405 8.4405 12.1810 12.1810 12.5515 12.5515 15.0790 15.0790 15.1884 15.1884 k = 0.5000 0.2887 0.2624 ( 2350 PWs) bands (ev): -4.4778 -4.4778 -4.4419 -4.4419 -1.9873 -1.9873 -1.9436 -1.9436 -1.3631 -1.3631 -1.2314 -1.2314 -0.0363 -0.0363 0.0219 0.0219 0.3713 0.3713 0.4416 0.4416 1.0491 1.0491 1.1342 1.1342 3.7207 3.7207 3.9269 3.9269 7.7219 7.7219 8.0290 8.0290 8.2498 8.2498 8.4807 8.4807 12.1341 12.1341 12.6214 12.6214 15.0568 15.0568 15.2003 15.2003 k = 0.5000 0.2887 0.2510 ( 2354 PWs) bands (ev): -4.4831 -4.4831 -4.4384 -4.4384 -1.9919 -1.9919 -1.9376 -1.9376 -1.3783 -1.3783 -1.2145 -1.2145 -0.0421 -0.0421 0.0302 0.0302 0.3626 0.3626 0.4494 0.4494 1.0396 1.0396 1.1453 1.1453 3.7042 3.7042 3.9600 3.9600 7.6474 7.6474 7.9896 7.9896 8.2841 8.2841 8.5166 8.5166 12.0929 12.0929 12.6916 12.6916 15.0344 15.0344 15.2098 15.2098 k = 0.5000 0.2887 0.2396 ( 2346 PWs) bands (ev): -4.4885 -4.4885 -4.4353 -4.4353 -1.9963 -1.9963 -1.9315 -1.9315 -1.3930 -1.3930 -1.1977 -1.1977 -0.0476 -0.0476 0.0386 0.0386 0.3540 0.3540 0.4568 0.4568 1.0304 1.0304 1.1563 1.1563 3.6902 3.6902 3.9943 3.9943 7.5695 7.5695 7.9461 7.9461 8.3214 8.3214 8.5478 8.5478 12.0581 12.0581 12.7615 12.7615 15.0122 15.0122 15.2170 15.2170 k = 0.5000 0.2887 0.2282 ( 2344 PWs) bands (ev): -4.4940 -4.4940 -4.4324 -4.4324 -2.0006 -2.0006 -1.9253 -1.9253 -1.4072 -1.4072 -1.1811 -1.1811 -0.0527 -0.0527 0.0471 0.0471 0.3458 0.3458 0.4636 0.4636 1.0216 1.0216 1.1673 1.1673 3.6786 3.6786 4.0296 4.0296 7.4888 7.4888 7.9019 7.9019 8.3580 8.3580 8.5743 8.5743 12.0299 12.0299 12.8305 12.8305 14.9904 14.9904 15.2219 15.2219 k = 0.5000 0.2887 0.2168 ( 2344 PWs) bands (ev): -4.4995 -4.4995 -4.4298 -4.4298 -2.0046 -2.0046 -1.9192 -1.9192 -1.4210 -1.4210 -1.1648 -1.1648 -0.0574 -0.0574 0.0556 0.0556 0.3378 0.3378 0.4699 0.4699 1.0131 1.0131 1.1780 1.1780 3.6696 3.6696 4.0655 4.0655 7.4058 7.4058 7.8586 7.8586 8.3922 8.3922 8.5966 8.5966 12.0083 12.0083 12.8978 12.8978 14.9695 14.9695 15.2245 15.2245 k = 0.5000 0.2887 0.2054 ( 2348 PWs) bands (ev): -4.5050 -4.5050 -4.4275 -4.4275 -2.0084 -2.0084 -1.9130 -1.9130 -1.4341 -1.4341 -1.1488 -1.1488 -0.0617 -0.0617 0.0642 0.0642 0.3302 0.3302 0.4756 0.4756 1.0052 1.0052 1.1886 1.1886 3.6630 3.6630 4.1020 4.1020 7.3213 7.3213 7.8165 7.8165 8.4222 8.4222 8.6155 8.6155 11.9934 11.9934 12.9629 12.9629 14.9497 14.9497 15.2248 15.2248 k = 0.5000 0.2887 0.1940 ( 2348 PWs) bands (ev): -4.5105 -4.5105 -4.4254 -4.4254 -2.0120 -2.0120 -1.9069 -1.9069 -1.4467 -1.4467 -1.1333 -1.1333 -0.0656 -0.0656 0.0727 0.0727 0.3230 0.3230 0.4806 0.4806 0.9976 0.9976 1.1988 1.1988 3.6589 3.6589 4.1389 4.1389 7.2360 7.2360 7.7760 7.7760 8.4466 8.4466 8.6327 8.6327 11.9850 11.9850 13.0252 13.0252 14.9313 14.9313 15.2230 15.2230 k = 0.5000 0.2887 0.1826 ( 2344 PWs) bands (ev): -4.5159 -4.5159 -4.4235 -4.4235 -2.0153 -2.0153 -1.9009 -1.9009 -1.4588 -1.4588 -1.1182 -1.1182 -0.0692 -0.0692 0.0811 0.0811 0.3162 0.3162 0.4850 0.4850 0.9905 0.9905 1.2087 1.2087 3.6573 3.6573 4.1759 4.1759 7.1504 7.1504 7.7374 7.7374 8.4636 8.4636 8.6498 8.6498 11.9828 11.9828 13.0844 13.0844 14.9146 14.9146 15.2193 15.2193 k = 0.5000 0.2887 0.1711 ( 2338 PWs) bands (ev): -4.5212 -4.5212 -4.4218 -4.4218 -2.0185 -2.0185 -1.8950 -1.8950 -1.4701 -1.4701 -1.1036 -1.1036 -0.0723 -0.0723 0.0894 0.0894 0.3099 0.3099 0.4887 0.4887 0.9840 0.9840 1.2182 1.2182 3.6581 3.6581 4.2127 4.2127 7.0654 7.0654 7.7007 7.7007 8.4722 8.4722 8.6685 8.6685 11.9862 11.9862 13.1399 13.1399 14.8997 14.8997 15.2138 15.2138 k = 0.5000 0.2887 0.1597 ( 2334 PWs) bands (ev): -4.5264 -4.5264 -4.4204 -4.4204 -2.0214 -2.0214 -1.8892 -1.8892 -1.4809 -1.4809 -1.0897 -1.0897 -0.0751 -0.0751 0.0975 0.0975 0.3041 0.3041 0.4916 0.4916 0.9779 0.9779 1.2273 1.2273 3.6611 3.6611 4.2492 4.2492 6.9814 6.9814 7.6660 7.6660 8.4722 8.4722 8.6892 8.6892 11.9946 11.9946 13.1915 13.1915 14.8866 14.8866 15.2067 15.2067 k = 0.5000 0.2887 0.1483 ( 2334 PWs) bands (ev): -4.5314 -4.5314 -4.4192 -4.4192 -2.0241 -2.0241 -1.8837 -1.8837 -1.4909 -1.4909 -1.0765 -1.0765 -0.0775 -0.0775 0.1054 0.1054 0.2988 0.2988 0.4939 0.4939 0.9723 0.9723 1.2358 1.2358 3.6662 3.6662 4.2851 4.2851 6.8992 6.8992 7.6334 7.6334 8.4646 8.4646 8.7116 8.7116 12.0074 12.0074 13.2390 13.2390 14.8755 14.8755 15.1982 15.1982 k = 0.5000 0.2887 0.1369 ( 2344 PWs) bands (ev): -4.5362 -4.5362 -4.4182 -4.4182 -2.0266 -2.0266 -1.8784 -1.8784 -1.5004 -1.5004 -1.0640 -1.0640 -0.0796 -0.0796 0.1131 0.1131 0.2940 0.2940 0.4955 0.4955 0.9672 0.9672 1.2438 1.2438 3.6731 3.6731 4.3200 4.3200 6.8192 6.8192 7.6029 7.6029 8.4511 8.4511 8.7347 8.7347 12.0237 12.0237 13.2822 13.2822 14.8663 14.8663 15.1886 15.1886 k = 0.5000 0.2887 0.1255 ( 2344 PWs) bands (ev): -4.5407 -4.5407 -4.4173 -4.4173 -2.0289 -2.0289 -1.8733 -1.8733 -1.5091 -1.5091 -1.0523 -1.0523 -0.0815 -0.0815 0.1204 0.1204 0.2898 0.2898 0.4964 0.4964 0.9626 0.9626 1.2512 1.2512 3.6817 3.6817 4.3537 4.3537 6.7423 6.7423 7.5745 7.5745 8.4333 8.4333 8.7578 8.7578 12.0427 12.0427 13.3211 13.3211 14.8589 14.8589 15.1782 15.1782 k = 0.5000 0.2887 0.1141 ( 2348 PWs) bands (ev): -4.5450 -4.5450 -4.4165 -4.4165 -2.0310 -2.0310 -1.8685 -1.8685 -1.5171 -1.5171 -1.0415 -1.0415 -0.0830 -0.0830 0.1273 0.1273 0.2861 0.2861 0.4968 0.4968 0.9586 0.9586 1.2580 1.2580 3.6916 3.6916 4.3859 4.3859 6.6690 6.6690 7.5484 7.5484 8.4125 8.4125 8.7802 8.7802 12.0636 12.0636 13.3557 13.3557 14.8532 14.8532 15.1674 15.1674 k = 0.5000 0.2887 0.1027 ( 2344 PWs) bands (ev): -4.5489 -4.5489 -4.4159 -4.4159 -2.0329 -2.0329 -1.8640 -1.8640 -1.5243 -1.5243 -1.0315 -1.0315 -0.0843 -0.0843 0.1337 0.1337 0.2830 0.2830 0.4967 0.4967 0.9550 0.9550 1.2642 1.2642 3.7024 3.7024 4.4164 4.4164 6.6000 6.6000 7.5246 7.5246 8.3901 8.3901 8.8013 8.8013 12.0856 12.0856 13.3860 13.3860 14.8489 14.8489 15.1563 15.1563 k = 0.5000 0.2887 0.0913 ( 2350 PWs) bands (ev): -4.5525 -4.5525 -4.4154 -4.4154 -2.0346 -2.0346 -1.8599 -1.8599 -1.5309 -1.5309 -1.0225 -1.0225 -0.0854 -0.0854 0.1396 0.1396 0.2803 0.2803 0.4962 0.4962 0.9518 0.9518 1.2697 1.2697 3.7138 3.7138 4.4447 4.4447 6.5360 6.5360 7.5032 7.5032 8.3671 8.3671 8.8209 8.8209 12.1078 12.1078 13.4123 13.4123 14.8459 14.8459 15.1453 15.1453 k = 0.5000 0.2887 0.0799 ( 2346 PWs) bands (ev): -4.5558 -4.5558 -4.4150 -4.4150 -2.0361 -2.0361 -1.8562 -1.8562 -1.5367 -1.5367 -1.0145 -1.0145 -0.0862 -0.0862 0.1450 0.1450 0.2782 0.2782 0.4953 0.4953 0.9491 0.9491 1.2746 1.2746 3.7253 3.7253 4.4706 4.4706 6.4774 6.4774 7.4842 7.4842 8.3446 8.3446 8.8386 8.8386 12.1295 12.1295 13.4348 13.4348 14.8438 14.8438 15.1348 15.1348 k = 0.5000 0.2887 0.0685 ( 2342 PWs) bands (ev): -4.5586 -4.5586 -4.4147 -4.4147 -2.0374 -2.0374 -1.8529 -1.8529 -1.5418 -1.5418 -1.0075 -1.0075 -0.0869 -0.0869 0.1498 0.1498 0.2765 0.2765 0.4943 0.4943 0.9469 0.9469 1.2788 1.2788 3.7366 3.7366 4.4938 4.4938 6.4251 6.4251 7.4676 7.4676 8.3233 8.3233 8.8543 8.8543 12.1500 12.1500 13.4536 13.4536 14.8426 14.8426 15.1250 15.1250 k = 0.5000 0.2887 0.0570 ( 2350 PWs) bands (ev): -4.5611 -4.5611 -4.4145 -4.4145 -2.0385 -2.0385 -1.8501 -1.8501 -1.5461 -1.5461 -1.0015 -1.0015 -0.0874 -0.0874 0.1538 0.1538 0.2752 0.2752 0.4931 0.4931 0.9450 0.9450 1.2824 1.2824 3.7471 3.7471 4.5139 4.5139 6.3795 6.3795 7.4534 7.4534 8.3040 8.3040 8.8678 8.8678 12.1684 12.1684 13.4691 13.4691 14.8419 14.8419 15.1163 15.1163 k = 0.5000 0.2887 0.0456 ( 2346 PWs) bands (ev): -4.5631 -4.5631 -4.4143 -4.4143 -2.0393 -2.0393 -1.8478 -1.8478 -1.5496 -1.5496 -0.9966 -0.9966 -0.0878 -0.0878 0.1572 0.1572 0.2743 0.2743 0.4920 0.4920 0.9435 0.9435 1.2853 1.2853 3.7564 3.7564 4.5309 4.5309 6.3413 6.3413 7.4419 7.4419 8.2874 8.2874 8.8789 8.8789 12.1844 12.1844 13.4813 13.4813 14.8416 14.8416 15.1088 15.1088 k = 0.5000 0.2887 0.0342 ( 2338 PWs) bands (ev): -4.5647 -4.5647 -4.4142 -4.4142 -2.0400 -2.0400 -1.8459 -1.8459 -1.5524 -1.5524 -0.9927 -0.9927 -0.0881 -0.0881 0.1598 0.1598 0.2737 0.2737 0.4910 0.4910 0.9424 0.9424 1.2876 1.2876 3.7641 3.7641 4.5443 4.5443 6.3110 6.3110 7.4328 7.4328 8.2739 8.2739 8.8877 8.8877 12.1974 12.1974 13.4907 13.4907 14.8415 14.8415 15.1027 15.1027 k = 0.5000 0.2887 0.0228 ( 2340 PWs) bands (ev): -4.5659 -4.5659 -4.4141 -4.4141 -2.0405 -2.0405 -1.8446 -1.8446 -1.5543 -1.5543 -0.9900 -0.9900 -0.0883 -0.0883 0.1617 0.1617 0.2734 0.2734 0.4902 0.4902 0.9416 0.9416 1.2892 1.2892 3.7699 3.7699 4.5540 4.5540 6.2890 6.2890 7.4264 7.4264 8.2639 8.2639 8.8940 8.8940 12.2070 12.2070 13.4972 13.4972 14.8414 14.8414 15.0983 15.0983 k = 0.5000 0.2887 0.0114 ( 2340 PWs) bands (ev): -4.5666 -4.5666 -4.4141 -4.4141 -2.0408 -2.0408 -1.8438 -1.8438 -1.5555 -1.5555 -0.9883 -0.9883 -0.0885 -0.0885 0.1628 0.1628 0.2731 0.2731 0.4897 0.4897 0.9411 0.9411 1.2902 1.2902 3.7735 3.7735 4.5599 4.5599 6.2757 6.2757 7.4225 7.4225 8.2579 8.2579 8.8978 8.8978 12.2128 12.2128 13.5011 13.5011 14.8415 14.8415 15.0956 15.0956 k = 0.5000 0.2887-0.0000 ( 2332 PWs) bands (ev): -4.5668 -4.5668 -4.4140 -4.4140 -2.0409 -2.0409 -1.8435 -1.8435 -1.5559 -1.5559 -0.9877 -0.9877 -0.0885 -0.0885 0.1632 0.1632 0.2731 0.2731 0.4895 0.4895 0.9410 0.9410 1.2905 1.2905 3.7747 3.7747 4.5619 4.5619 6.2713 6.2713 7.4212 7.4212 8.2558 8.2558 8.8991 8.8991 12.2148 12.2148 13.5023 13.5023 14.8415 14.8415 15.0947 15.0947 k = 0.3333 0.5774-0.0000 ( 2364 PWs) bands (ev): -4.4954 -4.4954 -4.4683 -4.3422 -2.0043 -2.0043 -1.8193 -1.8088 -1.8088 -1.3428 -0.9842 -0.9842 -0.0302 -0.0302 0.2151 0.3077 0.3077 0.3082 0.3968 0.3968 1.1528 1.1528 1.3159 1.6132 4.2348 4.2385 4.2385 4.2551 5.6381 5.6381 7.1628 7.5570 7.5570 7.7862 7.8229 7.8229 13.7125 13.7537 13.7558 13.7558 15.0709 15.0709 16.3024 16.3024 k = 0.3333 0.5774 0.0114 ( 2370 PWs) bands (ev): -4.4952 -4.4952 -4.4681 -4.3422 -2.0042 -2.0042 -1.8190 -1.8088 -1.8088 -1.3433 -0.9846 -0.9846 -0.0299 -0.0299 0.2149 0.3076 0.3076 0.3077 0.3968 0.3968 1.1526 1.1526 1.3165 1.6132 4.2332 4.2371 4.2371 4.2536 5.6398 5.6398 7.1665 7.5594 7.5594 7.7890 7.8215 7.8215 13.7118 13.7530 13.7555 13.7555 15.0725 15.0725 16.3018 16.3018 k = 0.3333 0.5774 0.0228 ( 2358 PWs) bands (ev): -4.4949 -4.4949 -4.4675 -4.3422 -2.0039 -2.0039 -1.8180 -1.8088 -1.8088 -1.3445 -0.9860 -0.9860 -0.0290 -0.0290 0.2144 0.3060 0.3076 0.3076 0.3967 0.3967 1.1522 1.1522 1.3184 1.6132 4.2284 4.2328 4.2328 4.2491 5.6446 5.6446 7.1776 7.5663 7.5663 7.7972 7.8174 7.8174 13.7098 13.7512 13.7545 13.7545 15.0772 15.0772 16.2999 16.2999 k = 0.3333 0.5774 0.0342 ( 2352 PWs) bands (ev): -4.4944 -4.4944 -4.4666 -4.3422 -2.0034 -2.0034 -1.8164 -1.8089 -1.8089 -1.3465 -0.9884 -0.9884 -0.0276 -0.0276 0.2136 0.3034 0.3074 0.3074 0.3967 0.3967 1.1515 1.1515 1.3215 1.6132 4.2204 4.2258 4.2258 4.2418 5.6526 5.6526 7.1958 7.5774 7.5774 7.8109 7.8111 7.8111 13.7063 13.7481 13.7529 13.7529 15.0849 15.0849 16.2967 16.2967 k = 0.3333 0.5774 0.0456 ( 2352 PWs) bands (ev): -4.4937 -4.4937 -4.4653 -4.3423 -2.0028 -2.0028 -1.8141 -1.8089 -1.8089 -1.3494 -0.9916 -0.9916 -0.0256 -0.0256 0.2124 0.2998 0.3073 0.3073 0.3966 0.3966 1.1505 1.1505 1.3258 1.6132 4.2096 4.2162 4.2162 4.2318 5.6638 5.6638 7.2209 7.5913 7.5913 7.8034 7.8034 7.8297 13.7014 13.7438 13.7506 13.7506 15.0955 15.0955 16.2922 16.2922 k = 0.3333 0.5774 0.0570 ( 2346 PWs) bands (ev): -4.4927 -4.4927 -4.4636 -4.3424 -2.0019 -2.0019 -1.8112 -1.8089 -1.8089 -1.3530 -0.9957 -0.9957 -0.0232 -0.0232 0.2110 0.2953 0.3070 0.3070 0.3964 0.3964 1.1492 1.1492 1.3311 1.6131 4.1961 4.2042 4.2042 4.2193 5.6780 5.6780 7.2526 7.6062 7.6062 7.7963 7.7963 7.8533 13.6951 13.7382 13.7477 13.7477 15.1091 15.1091 16.2864 16.2864 k = 0.3333 0.5774 0.0685 ( 2349 PWs) bands (ev): -4.4916 -4.4916 -4.4617 -4.3426 -2.0010 -2.0010 -1.8090 -1.8090 -1.8077 -1.3575 -1.0005 -1.0005 -0.0204 -0.0204 0.2092 0.2900 0.3068 0.3068 0.3963 0.3963 1.1477 1.1477 1.3375 1.6130 4.1803 4.1900 4.1900 4.2045 5.6954 5.6954 7.2904 7.6185 7.6185 7.7930 7.7930 7.8813 13.6873 13.7313 13.7440 13.7440 15.1254 15.1254 16.2792 16.2792 k = 0.3333 0.5774 0.0799 ( 2349 PWs) bands (ev): -4.4904 -4.4904 -4.4593 -4.3428 -1.9999 -1.9999 -1.8091 -1.8091 -1.8035 -1.3628 -1.0060 -1.0060 -0.0172 -0.0172 0.2072 0.2839 0.3065 0.3065 0.3961 0.3961 1.1460 1.1460 1.3449 1.6128 4.1625 4.1739 4.1739 4.1877 5.7157 5.7157 7.3339 7.6232 7.6232 7.7981 7.7981 7.9133 13.6782 13.7232 13.7397 13.7397 15.1443 15.1443 16.2707 16.2707 k = 0.3333 0.5774 0.0913 ( 2346 PWs) bands (ev): -4.4889 -4.4889 -4.4567 -4.3431 -1.9986 -1.9986 -1.8091 -1.8091 -1.7987 -1.3689 -1.0121 -1.0121 -0.0137 -0.0137 0.2050 0.2773 0.3063 0.3063 0.3959 0.3959 1.1441 1.1441 1.3531 1.6126 4.1430 4.1563 4.1563 4.1692 5.7389 5.7389 7.3825 7.6167 7.6167 7.8150 7.8150 7.9488 13.6676 13.7138 13.7348 13.7348 15.1655 15.1655 16.2609 16.2609 k = 0.3333 0.5774 0.1027 ( 2346 PWs) bands (ev): -4.4874 -4.4874 -4.4538 -4.3435 -1.9973 -1.9973 -1.8092 -1.8092 -1.7932 -1.3757 -1.0187 -1.0187 -0.0100 -0.0100 0.2025 0.2701 0.3061 0.3061 0.3957 0.3957 1.1420 1.1420 1.3622 1.6122 4.1223 4.1373 4.1373 4.1493 5.7649 5.7649 7.4355 7.5993 7.5993 7.8430 7.8430 7.9872 13.6557 13.7032 13.7292 13.7292 15.1889 15.1889 16.2495 16.2495 k = 0.3333 0.5774 0.1141 ( 2346 PWs) bands (ev): -4.4857 -4.4857 -4.4505 -4.3440 -1.9958 -1.9958 -1.8093 -1.8093 -1.7870 -1.3834 -1.0257 -1.0257 -0.0061 -0.0061 0.1998 0.2626 0.3059 0.3059 0.3955 0.3955 1.1398 1.1398 1.3718 1.6117 4.1008 4.1175 4.1175 4.1283 5.7937 5.7937 7.4925 7.5736 7.5736 7.8791 7.8791 8.0279 13.6424 13.6913 13.7230 13.7230 15.2143 15.2143 16.2368 16.2368 k = 0.3333 0.5774 0.1255 ( 2346 PWs) bands (ev): -4.4840 -4.4840 -4.4471 -4.3445 -1.9942 -1.9942 -1.8094 -1.8094 -1.7802 -1.3917 -1.0331 -1.0331 -0.0022 -0.0022 0.1970 0.2548 0.3058 0.3058 0.3953 0.3953 1.1374 1.1374 1.3821 1.6111 4.0787 4.0969 4.0969 4.1066 5.8250 5.8250 7.5418 7.5418 7.5527 7.9208 7.9208 8.0702 13.6278 13.6781 13.7162 13.7162 15.2413 15.2413 16.2224 16.2224 k = 0.3333 0.5774 0.1369 ( 2346 PWs) bands (ev): -4.4822 -4.4822 -4.4434 -4.3452 -1.9926 -1.9926 -1.8095 -1.8095 -1.7728 -1.4008 -1.0406 -1.0406 0.0018 0.0018 0.1941 0.2469 0.3057 0.3057 0.3952 0.3952 1.1350 1.1350 1.3928 1.6102 4.0564 4.0760 4.0760 4.0844 5.8588 5.8588 7.5056 7.5056 7.6155 7.9660 7.9660 8.1136 13.6121 13.6638 13.7088 13.7088 15.2698 15.2698 16.2064 16.2064 k = 0.3333 0.5774 0.1483 ( 2346 PWs) bands (ev): -4.4803 -4.4803 -4.4395 -4.3461 -1.9910 -1.9910 -1.8096 -1.8096 -1.7647 -1.4106 -1.0483 -1.0483 0.0056 0.0056 0.1911 0.2389 0.3057 0.3057 0.3950 0.3950 1.1325 1.1325 1.4038 1.6091 4.0343 4.0551 4.0551 4.0620 5.8949 5.8949 7.4657 7.4657 7.6804 8.0135 8.0135 8.1572 13.5954 13.6483 13.7009 13.7009 15.2994 15.2994 16.1818 16.1887 k = 0.3333 0.5774 0.1597 ( 2337 PWs) bands (ev): -4.4784 -4.4784 -4.4354 -4.3471 -1.9893 -1.9893 -1.8096 -1.8096 -1.7560 -1.4210 -1.0559 -1.0559 0.0094 0.0094 0.1881 0.2310 0.3058 0.3058 0.3948 0.3948 1.1301 1.1301 1.4152 1.6077 4.0126 4.0345 4.0345 4.0398 5.9332 5.9332 7.4230 7.4230 7.7465 8.0622 8.0622 8.2005 13.5779 13.6319 13.6925 13.6925 15.3298 15.3298 16.0965 16.1690 k = 0.3333 0.5774 0.1711 ( 2337 PWs) bands (ev): -4.4766 -4.4766 -4.4311 -4.3483 -1.9876 -1.9876 -1.8097 -1.8097 -1.7467 -1.4320 -1.0635 -1.0635 0.0130 0.0130 0.1851 0.2233 0.3060 0.3060 0.3946 0.3946 1.1276 1.1276 1.4267 1.6060 3.9917 4.0143 4.0143 4.0180 5.9734 5.9734 7.3779 7.3779 7.8133 8.1111 8.1111 8.2426 13.5598 13.6144 13.6837 13.6837 15.3606 15.3606 16.0173 16.1471 k = 0.3333 0.5774 0.1826 ( 2343 PWs) bands (ev): -4.4747 -4.4747 -4.4268 -4.3496 -1.9860 -1.9860 -1.8098 -1.8098 -1.7368 -1.4437 -1.0709 -1.0709 0.0164 0.0164 0.1822 0.2159 0.3062 0.3062 0.3945 0.3945 1.1252 1.1252 1.4383 1.6040 3.9716 3.9949 3.9949 3.9969 6.0153 6.0153 7.3309 7.3309 7.8800 8.1595 8.1595 8.2828 13.5414 13.5962 13.6747 13.6747 15.3915 15.3915 15.9444 16.0798 k = 0.3333 0.5774 0.1940 ( 2337 PWs) bands (ev): -4.4730 -4.4730 -4.4223 -4.3512 -1.9843 -1.9843 -1.8098 -1.8098 -1.7263 -1.4559 -1.0780 -1.0780 0.0196 0.0196 0.1793 0.2088 0.3066 0.3066 0.3943 0.3943 1.1229 1.1229 1.4499 1.6016 3.9528 3.9764 3.9764 3.9767 6.0587 6.0587 7.2824 7.2824 7.9461 8.2067 8.2067 8.3204 13.5230 13.5775 13.6654 13.6654 15.4220 15.4220 15.8784 16.0113 k = 0.3333 0.5774 0.2054 ( 2331 PWs) bands (ev): -4.4713 -4.4713 -4.4178 -4.3529 -1.9828 -1.9828 -1.8099 -1.8099 -1.7152 -1.4686 -1.0846 -1.0846 0.0224 0.0224 0.1767 0.2022 0.3070 0.3070 0.3942 0.3942 1.1206 1.1206 1.4614 1.5988 3.9354 3.9576 3.9591 3.9591 6.1033 6.1033 7.2329 7.2329 8.0107 8.2519 8.2519 8.3548 13.5051 13.5584 13.6562 13.6562 15.4515 15.4515 15.8193 15.9467 k = 0.3333 0.5774 0.2168 ( 2328 PWs) bands (ev): -4.4697 -4.4697 -4.4132 -4.3549 -1.9814 -1.9814 -1.8099 -1.8099 -1.7036 -1.4818 -1.0909 -1.0909 0.0250 0.0250 0.1742 0.1960 0.3074 0.3074 0.3941 0.3941 1.1186 1.1186 1.4727 1.5955 3.9195 3.9398 3.9432 3.9432 6.1487 6.1487 7.1828 7.1828 8.0733 8.2944 8.2944 8.3852 13.4880 13.5393 13.6472 13.6472 15.4795 15.4795 15.7672 15.8866 k = 0.3333 0.5774 0.2282 ( 2328 PWs) bands (ev): -4.4682 -4.4682 -4.4087 -4.3571 -1.9800 -1.9800 -1.8100 -1.8100 -1.6915 -1.4953 -1.0966 -1.0966 0.0273 0.0273 0.1720 0.1903 0.3078 0.3078 0.3940 0.3940 1.1167 1.1167 1.4838 1.5918 3.9053 3.9235 3.9288 3.9288 6.1944 6.1944 7.1328 7.1328 8.1331 8.3336 8.3336 8.4110 13.4723 13.5204 13.6385 13.6385 15.5053 15.5053 15.7224 15.8315 k = 0.3333 0.5774 0.2396 ( 2334 PWs) bands (ev): -4.4670 -4.4670 -4.4041 -4.3595 -1.9789 -1.9789 -1.8100 -1.8100 -1.6789 -1.5092 -1.1016 -1.1016 0.0292 0.0292 0.1701 0.1852 0.3083 0.3083 0.3939 0.3939 1.1149 1.1149 1.4946 1.5876 3.8930 3.9089 3.9160 3.9160 6.2398 6.2398 7.0834 7.0834 8.1896 8.3689 8.3689 8.4316 13.4583 13.5023 13.6303 13.6303 15.5281 15.5281 15.6849 15.7816 k = 0.3333 0.5774 0.2510 ( 2340 PWs) bands (ev): -4.4658 -4.4658 -4.3996 -4.3622 -1.9778 -1.9778 -1.8101 -1.8101 -1.6659 -1.5234 -1.1061 -1.1061 0.0309 0.0309 0.1685 0.1807 0.3087 0.3087 0.3939 0.3939 1.1135 1.1135 1.5051 1.5828 3.8826 3.8961 3.9050 3.9050 6.2840 6.2840 7.0358 7.0358 8.2419 8.3998 8.3998 8.4466 13.4464 13.4852 13.6229 13.6229 15.5471 15.5471 15.6546 15.7375 k = 0.3333 0.5774 0.2624 ( 2334 PWs) bands (ev): -4.4649 -4.4649 -4.3952 -4.3651 -1.9770 -1.9770 -1.8101 -1.8101 -1.6525 -1.5378 -1.1097 -1.1097 0.0322 0.0322 0.1673 0.1768 0.3091 0.3091 0.3938 0.3938 1.1122 1.1122 1.5152 1.5775 3.8742 3.8852 3.8958 3.8958 6.3258 6.3258 6.9912 6.9912 8.2897 8.4258 8.4258 8.4554 13.4371 13.4696 13.6166 13.6166 15.5618 15.5618 15.6317 15.6994 k = 0.3333 0.5774 0.2738 ( 2334 PWs) bands (ev): -4.4641 -4.4641 -4.3909 -4.3682 -1.9763 -1.9763 -1.8101 -1.8101 -1.6388 -1.5523 -1.1126 -1.1126 0.0332 0.0332 0.1666 0.1735 0.3094 0.3094 0.3938 0.3938 1.1112 1.1112 1.5248 1.5716 3.8680 3.8763 3.8886 3.8886 6.3633 6.3633 6.9514 6.9514 8.3324 8.4465 8.4465 8.4578 13.4306 13.4559 13.6114 13.6114 15.5722 15.5722 15.6159 15.6675 k = 0.3333 0.5774 0.2852 ( 2328 PWs) bands (ev): -4.4636 -4.4636 -4.3867 -4.3715 -1.9758 -1.9758 -1.8101 -1.8101 -1.6247 -1.5669 -1.1147 -1.1147 0.0340 0.0340 0.1664 0.1709 0.3097 0.3097 0.3938 0.3938 1.1105 1.1105 1.5340 1.5652 3.8639 3.8695 3.8835 3.8835 6.3940 6.3940 6.9191 6.9191 8.3694 8.4536 8.4615 8.4615 13.4271 13.4445 13.6075 13.6075 15.5786 15.5786 15.6072 15.6420 k = 0.3333 0.5774 0.2967 ( 2328 PWs) bands (ev): -4.4632 -4.4632 -4.3826 -4.3750 -1.9755 -1.9755 -1.8101 -1.8101 -1.6105 -1.5815 -1.1160 -1.1160 0.0344 0.0344 0.1666 0.1689 0.3098 0.3098 0.3938 0.3938 1.1101 1.1101 1.5426 1.5582 3.8620 3.8648 3.8803 3.8803 6.4145 6.4145 6.8976 6.8976 8.4002 8.4425 8.4706 8.4706 13.4268 13.4356 13.6052 13.6052 15.5819 15.5819 15.6056 15.6231 k = 0.3333 0.5774 0.3081 ( 2322 PWs) bands (ev): -4.4631 -4.4631 -4.3787 -4.3787 -1.9754 -1.9754 -1.8101 -1.8101 -1.5960 -1.5960 -1.1164 -1.1164 0.0346 0.0346 0.1675 0.1675 0.3099 0.3099 0.3938 0.3938 1.1099 1.1099 1.5507 1.5507 3.8623 3.8623 3.8793 3.8793 6.4218 6.4218 6.8900 6.8900 8.4247 8.4247 8.4737 8.4737 13.4297 13.4297 13.6044 13.6044 15.5830 15.5830 15.6109 15.6109 Writing output data file TlN.save init_run : 2.47s CPU 13.30s WALL ( 1 calls) electrons : 378.66s CPU 389.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 378.63s CPU 389.56s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.87s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.12s CPU 0.52s WALL ( 1 calls) newd : 0.39s CPU 0.52s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.08s WALL ( 364 calls) cegterg : 270.11s CPU 272.40s WALL ( 663 calls) Called by sum_band: Called by *egterg: h_psi : 110.03s CPU 115.18s WALL ( 9953 calls) s_psi : 11.51s CPU 12.18s WALL ( 9953 calls) g_psi : 0.23s CPU 0.26s WALL ( 8926 calls) cdiaghg : 109.46s CPU 108.09s WALL ( 9290 calls) cegterg:over : 26.03s CPU 23.40s WALL ( 8926 calls) cegterg:upda : 2.53s CPU 4.39s WALL ( 8926 calls) cegterg:last : 2.99s CPU 3.62s WALL ( 1755 calls) Called by h_psi: h_psi:vloc : 84.96s CPU 89.57s WALL ( 9953 calls) h_psi:vnl : 25.00s CPU 25.34s WALL ( 9953 calls) add_vuspsi : 6.27s CPU 9.04s WALL ( 9953 calls) General routines calbec : 18.71s CPU 16.21s WALL ( 9953 calls) fft : 0.20s CPU 1.47s WALL ( 19 calls) ffts : 0.02s CPU 0.05s WALL ( 4 calls) fftw : 81.23s CPU 84.62s WALL ( 889224 calls) interpolate : 0.07s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 8.17s WALL ( 728 calls) Parallel routines fft_scatter : 58.38s CPU 59.95s WALL ( 889247 calls) PWSCF : 7m23.82s CPU 10m43.73s WALL This run was terminated on: 23:20:53 26Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=