Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:44:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaTl.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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 50 14 1915 1424 216 Max 62 51 15 1919 1448 220 Sum 2221 1813 511 69041 51733 7799 bravais-lattice index = 14 lattice parameter (alat) = 9.9710 a.u. unit-cell volume = 700.9745 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.971008 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Tl read from file: /users/gautes/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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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) Na 9.00 22.98980 Na( 1.00) 12 Sym. Ops., with inversion, found (10 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.5000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0116279 -0.0067134 0.0094941), wk = 0.0035211 k( 3) = ( 0.0232558 -0.0134267 0.0189883), wk = 0.0035211 k( 4) = ( 0.0348837 -0.0201401 0.0284824), wk = 0.0035211 k( 5) = ( 0.0465116 -0.0268535 0.0379766), wk = 0.0035211 k( 6) = ( 0.0581395 -0.0335669 0.0474707), wk = 0.0035211 k( 7) = ( 0.0697674 -0.0402803 0.0569649), wk = 0.0035211 k( 8) = ( 0.0813954 -0.0469936 0.0664590), wk = 0.0035211 k( 9) = ( 0.0930233 -0.0537070 0.0759532), wk = 0.0035211 k( 10) = ( 0.1046512 -0.0604204 0.0854473), wk = 0.0035211 k( 11) = ( 0.1162791 -0.0671338 0.0949415), wk = 0.0035211 k( 12) = ( 0.1279070 -0.0738471 0.1044356), wk = 0.0035211 k( 13) = ( 0.1395349 -0.0805605 0.1139298), wk = 0.0035211 k( 14) = ( 0.1511628 -0.0872739 0.1234239), wk = 0.0035211 k( 15) = ( 0.1627907 -0.0939873 0.1329180), wk = 0.0035211 k( 16) = ( 0.1744186 -0.1007006 0.1424122), wk = 0.0035211 k( 17) = ( 0.1860465 -0.1074140 0.1519063), wk = 0.0035211 k( 18) = ( 0.1976744 -0.1141274 0.1614005), wk = 0.0035211 k( 19) = ( 0.2093023 -0.1208408 0.1708946), wk = 0.0035211 k( 20) = ( 0.2209302 -0.1275541 0.1803888), wk = 0.0035211 k( 21) = ( 0.2325581 -0.1342675 0.1898829), wk = 0.0035211 k( 22) = ( 0.2441860 -0.1409809 0.1993771), wk = 0.0035211 k( 23) = ( 0.2558140 -0.1476943 0.2088712), wk = 0.0035211 k( 24) = ( 0.2674419 -0.1544076 0.2183654), wk = 0.0035211 k( 25) = ( 0.2790698 -0.1611210 0.2278595), wk = 0.0035211 k( 26) = ( 0.2906977 -0.1678344 0.2373537), wk = 0.0035211 k( 27) = ( 0.3023256 -0.1745478 0.2468478), wk = 0.0035211 k( 28) = ( 0.3139535 -0.1812611 0.2563420), wk = 0.0035211 k( 29) = ( 0.3255814 -0.1879745 0.2658361), wk = 0.0035211 k( 30) = ( 0.3372093 -0.1946879 0.2753302), wk = 0.0035211 k( 31) = ( 0.3488372 -0.2014013 0.2848244), wk = 0.0035211 k( 32) = ( 0.3604651 -0.2081146 0.2943185), wk = 0.0035211 k( 33) = ( 0.3720930 -0.2148280 0.3038127), wk = 0.0035211 k( 34) = ( 0.3837209 -0.2215414 0.3133068), wk = 0.0035211 k( 35) = ( 0.3953488 -0.2282548 0.3228010), wk = 0.0035211 k( 36) = ( 0.4069767 -0.2349681 0.3322951), wk = 0.0035211 k( 37) = ( 0.4186047 -0.2416815 0.3417893), wk = 0.0035211 k( 38) = ( 0.4302326 -0.2483949 0.3512834), wk = 0.0035211 k( 39) = ( 0.4418605 -0.2551083 0.3607776), wk = 0.0035211 k( 40) = ( 0.4534884 -0.2618216 0.3702717), wk = 0.0035211 k( 41) = ( 0.4651163 -0.2685350 0.3797659), wk = 0.0035211 k( 42) = ( 0.4767442 -0.2752484 0.3892600), wk = 0.0035211 k( 43) = ( 0.4883721 -0.2819618 0.3987541), wk = 0.0035211 k( 44) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035211 k( 45) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035211 k( 46) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0035211 k( 47) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0035211 k( 48) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0035211 k( 49) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0035211 k( 50) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0035211 k( 51) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0035211 k( 52) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0035211 k( 53) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0035211 k( 54) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0035211 k( 55) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0035211 k( 56) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0035211 k( 57) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0035211 k( 58) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0035211 k( 59) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0035211 k( 60) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0035211 k( 61) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0035211 k( 62) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0035211 k( 63) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0035211 k( 64) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0035211 k( 65) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0035211 k( 66) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0035211 k( 67) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035211 k( 68) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035211 k( 69) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0035211 k( 70) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0035211 k( 71) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0035211 k( 72) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0035211 k( 73) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0035211 k( 74) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0035211 k( 75) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0035211 k( 76) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0035211 k( 77) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0035211 k( 78) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0035211 k( 79) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0035211 k( 80) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0035211 k( 81) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0035211 k( 82) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0035211 k( 83) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035211 k( 84) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035211 k( 85) = ( 0.3666667 0.2116951 0.5987642), wk = 0.0035211 k( 86) = ( 0.3583333 0.2068838 0.5851559), wk = 0.0035211 k( 87) = ( 0.3500000 0.2020726 0.5715476), wk = 0.0035211 k( 88) = ( 0.3416667 0.1972613 0.5579393), wk = 0.0035211 k( 89) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0035211 k( 90) = ( 0.3250000 0.1876388 0.5307228), wk = 0.0035211 k( 91) = ( 0.3166667 0.1828276 0.5171145), wk = 0.0035211 k( 92) = ( 0.3083333 0.1780163 0.5035062), wk = 0.0035211 k( 93) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0035211 k( 94) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0035211 k( 95) = ( 0.2833333 0.1635826 0.4626814), wk = 0.0035211 k( 96) = ( 0.2750000 0.1587713 0.4490731), wk = 0.0035211 k( 97) = ( 0.2666667 0.1539601 0.4354648), wk = 0.0035211 k( 98) = ( 0.2583333 0.1491488 0.4218566), wk = 0.0035211 k( 99) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0035211 k( 100) = ( 0.2416667 0.1395263 0.3946400), wk = 0.0035211 k( 101) = ( 0.2333333 0.1347151 0.3810317), wk = 0.0035211 k( 102) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0035211 k( 103) = ( 0.2166667 0.1250926 0.3538152), wk = 0.0035211 k( 104) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0035211 k( 105) = ( 0.2000000 0.1154701 0.3265986), wk = 0.0035211 k( 106) = ( 0.1916667 0.1106588 0.3129903), wk = 0.0035211 k( 107) = ( 0.1833333 0.1058475 0.2993821), wk = 0.0035211 k( 108) = ( 0.1750000 0.1010363 0.2857738), wk = 0.0035211 k( 109) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0035211 k( 110) = ( 0.1583333 0.0914138 0.2585573), wk = 0.0035211 k( 111) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0035211 k( 112) = ( 0.1416667 0.0817913 0.2313407), wk = 0.0035211 k( 113) = ( 0.1333333 0.0769800 0.2177324), wk = 0.0035211 k( 114) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0035211 k( 115) = ( 0.1166667 0.0673575 0.1905159), wk = 0.0035211 k( 116) = ( 0.1083333 0.0625463 0.1769076), wk = 0.0035211 k( 117) = ( 0.1000000 0.0577350 0.1632993), wk = 0.0035211 k( 118) = ( 0.0916667 0.0529238 0.1496910), wk = 0.0035211 k( 119) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0035211 k( 120) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0035211 k( 121) = ( 0.0666667 0.0384900 0.1088662), wk = 0.0035211 k( 122) = ( 0.0583333 0.0336788 0.0952579), wk = 0.0035211 k( 123) = ( 0.0500000 0.0288675 0.0816497), wk = 0.0035211 k( 124) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0035211 k( 125) = ( 0.0333333 0.0192450 0.0544331), wk = 0.0035211 k( 126) = ( 0.0250000 0.0144338 0.0408248), wk = 0.0035211 k( 127) = ( 0.0166667 0.0096225 0.0272165), wk = 0.0035211 k( 128) = ( 0.0083333 0.0048113 0.0136083), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 131) = ( 0.0135135 0.0078020 0.0055169), wk = 0.0035211 k( 132) = ( 0.0270270 0.0156041 0.0110337), wk = 0.0035211 k( 133) = ( 0.0405405 0.0234061 0.0165506), wk = 0.0035211 k( 134) = ( 0.0540540 0.0312081 0.0220675), wk = 0.0035211 k( 135) = ( 0.0675676 0.0390102 0.0275843), wk = 0.0035211 k( 136) = ( 0.0810811 0.0468122 0.0331012), wk = 0.0035211 k( 137) = ( 0.0945946 0.0546142 0.0386181), wk = 0.0035211 k( 138) = ( 0.1081081 0.0624162 0.0441350), wk = 0.0035211 k( 139) = ( 0.1216216 0.0702183 0.0496518), wk = 0.0035211 k( 140) = ( 0.1351351 0.0780203 0.0551687), wk = 0.0035211 k( 141) = ( 0.1486486 0.0858223 0.0606856), wk = 0.0035211 k( 142) = ( 0.1621622 0.0936244 0.0662024), wk = 0.0035211 k( 143) = ( 0.1756757 0.1014264 0.0717193), wk = 0.0035211 k( 144) = ( 0.1891892 0.1092284 0.0772362), wk = 0.0035211 k( 145) = ( 0.2027027 0.1170305 0.0827530), wk = 0.0035211 k( 146) = ( 0.2162162 0.1248325 0.0882699), wk = 0.0035211 k( 147) = ( 0.2297297 0.1326345 0.0937868), wk = 0.0035211 k( 148) = ( 0.2432432 0.1404366 0.0993036), wk = 0.0035211 k( 149) = ( 0.2567568 0.1482386 0.1048205), wk = 0.0035211 k( 150) = ( 0.2702703 0.1560406 0.1103374), wk = 0.0035211 k( 151) = ( 0.2837838 0.1638426 0.1158542), wk = 0.0035211 k( 152) = ( 0.2972973 0.1716447 0.1213711), wk = 0.0035211 k( 153) = ( 0.3108108 0.1794467 0.1268880), wk = 0.0035211 k( 154) = ( 0.3243243 0.1872487 0.1324048), wk = 0.0035211 k( 155) = ( 0.3378378 0.1950508 0.1379217), wk = 0.0035211 k( 156) = ( 0.3513514 0.2028528 0.1434386), wk = 0.0035211 k( 157) = ( 0.3648649 0.2106548 0.1489555), wk = 0.0035211 k( 158) = ( 0.3783784 0.2184569 0.1544723), wk = 0.0035211 k( 159) = ( 0.3918919 0.2262589 0.1599892), wk = 0.0035211 k( 160) = ( 0.4054054 0.2340609 0.1655061), wk = 0.0035211 k( 161) = ( 0.4189189 0.2418630 0.1710229), wk = 0.0035211 k( 162) = ( 0.4324324 0.2496650 0.1765398), wk = 0.0035211 k( 163) = ( 0.4459459 0.2574670 0.1820567), wk = 0.0035211 k( 164) = ( 0.4594595 0.2652690 0.1875735), wk = 0.0035211 k( 165) = ( 0.4729730 0.2730711 0.1930904), wk = 0.0035211 k( 166) = ( 0.4864865 0.2808731 0.1986073), wk = 0.0035211 k( 167) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035211 k( 168) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035211 k( 169) = ( 0.5048077 0.2747965 0.2119751), wk = 0.0035211 k( 170) = ( 0.5096154 0.2609179 0.2198260), wk = 0.0035211 k( 171) = ( 0.5144231 0.2470393 0.2276769), wk = 0.0035211 k( 172) = ( 0.5192308 0.2331607 0.2355279), wk = 0.0035211 k( 173) = ( 0.5240385 0.2192821 0.2433788), wk = 0.0035211 k( 174) = ( 0.5288462 0.2054035 0.2512297), wk = 0.0035211 k( 175) = ( 0.5336538 0.1915248 0.2590806), wk = 0.0035211 k( 176) = ( 0.5384615 0.1776462 0.2669316), wk = 0.0035211 k( 177) = ( 0.5432692 0.1637676 0.2747825), wk = 0.0035211 k( 178) = ( 0.5480769 0.1498890 0.2826334), wk = 0.0035211 k( 179) = ( 0.5528846 0.1360104 0.2904844), wk = 0.0035211 k( 180) = ( 0.5576923 0.1221318 0.2983353), wk = 0.0035211 k( 181) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0035211 k( 182) = ( 0.5673077 0.0943746 0.3140371), wk = 0.0035211 k( 183) = ( 0.5721154 0.0804960 0.3218881), wk = 0.0035211 k( 184) = ( 0.5769231 0.0666173 0.3297390), wk = 0.0035211 k( 185) = ( 0.5817308 0.0527387 0.3375899), wk = 0.0035211 k( 186) = ( 0.5865385 0.0388601 0.3454409), wk = 0.0035211 k( 187) = ( 0.5913462 0.0249815 0.3532918), wk = 0.0035211 k( 188) = ( 0.5961538 0.0111029 0.3611427), wk = 0.0035211 k( 189) = ( 0.6009615 -0.0027757 0.3689936), wk = 0.0035211 k( 190) = ( 0.6057692 -0.0166543 0.3768446), wk = 0.0035211 k( 191) = ( 0.6105769 -0.0305329 0.3846955), wk = 0.0035211 k( 192) = ( 0.6153846 -0.0444116 0.3925464), wk = 0.0035211 k( 193) = ( 0.6201923 -0.0582902 0.4003974), wk = 0.0035211 k( 194) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035211 k( 195) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035211 k( 196) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0035211 k( 197) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0035211 k( 198) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0035211 k( 199) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0035211 k( 200) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0035211 k( 201) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0035211 k( 202) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0035211 k( 203) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0035211 k( 204) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0035211 k( 205) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0035211 k( 206) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0035211 k( 207) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0035211 k( 208) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0035211 k( 209) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0035211 k( 210) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035211 k( 211) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035211 k( 212) = ( 0.5000000 0.0096225 0.5987642), wk = 0.0035211 k( 213) = ( 0.5000000 0.0192450 0.5851559), wk = 0.0035211 k( 214) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0035211 k( 215) = ( 0.5000000 0.0384900 0.5579393), wk = 0.0035211 k( 216) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0035211 k( 217) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0035211 k( 218) = ( 0.5000000 0.0673575 0.5171145), wk = 0.0035211 k( 219) = ( 0.5000000 0.0769800 0.5035062), wk = 0.0035211 k( 220) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0035211 k( 221) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0035211 k( 222) = ( 0.5000000 0.1058476 0.4626814), wk = 0.0035211 k( 223) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0035211 k( 224) = ( 0.5000000 0.1250926 0.4354648), wk = 0.0035211 k( 225) = ( 0.5000000 0.1347151 0.4218566), wk = 0.0035211 k( 226) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0035211 k( 227) = ( 0.5000000 0.1539601 0.3946400), wk = 0.0035211 k( 228) = ( 0.5000000 0.1635826 0.3810317), wk = 0.0035211 k( 229) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0035211 k( 230) = ( 0.5000000 0.1828276 0.3538152), wk = 0.0035211 k( 231) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0035211 k( 232) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0035211 k( 233) = ( 0.5000000 0.2116951 0.3129904), wk = 0.0035211 k( 234) = ( 0.5000000 0.2213176 0.2993821), wk = 0.0035211 k( 235) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0035211 k( 236) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0035211 k( 237) = ( 0.5000000 0.2501851 0.2585572), wk = 0.0035211 k( 238) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0035211 k( 239) = ( 0.5000000 0.2694301 0.2313407), wk = 0.0035211 k( 240) = ( 0.5000000 0.2790526 0.2177324), wk = 0.0035211 k( 241) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035211 k( 242) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035211 k( 243) = ( 0.4951923 0.2858994 0.2198260), wk = 0.0035211 k( 244) = ( 0.4903846 0.2831237 0.2355279), wk = 0.0035211 k( 245) = ( 0.4855769 0.2803480 0.2512297), wk = 0.0035211 k( 246) = ( 0.4807692 0.2775722 0.2669316), wk = 0.0035211 k( 247) = ( 0.4759615 0.2747965 0.2826334), wk = 0.0035211 k( 248) = ( 0.4711538 0.2720208 0.2983353), wk = 0.0035211 k( 249) = ( 0.4663462 0.2692451 0.3140371), wk = 0.0035211 k( 250) = ( 0.4615385 0.2664694 0.3297390), wk = 0.0035211 k( 251) = ( 0.4567308 0.2636936 0.3454409), wk = 0.0035211 k( 252) = ( 0.4519231 0.2609179 0.3611427), wk = 0.0035211 k( 253) = ( 0.4471154 0.2581422 0.3768446), wk = 0.0035211 k( 254) = ( 0.4423077 0.2553665 0.3925464), wk = 0.0035211 k( 255) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0035211 k( 256) = ( 0.4326923 0.2498150 0.4239501), wk = 0.0035211 k( 257) = ( 0.4278846 0.2470393 0.4396520), wk = 0.0035211 k( 258) = ( 0.4230769 0.2442636 0.4553539), wk = 0.0035211 k( 259) = ( 0.4182692 0.2414879 0.4710557), wk = 0.0035211 k( 260) = ( 0.4134615 0.2387121 0.4867576), wk = 0.0035211 k( 261) = ( 0.4086538 0.2359364 0.5024594), wk = 0.0035211 k( 262) = ( 0.4038462 0.2331607 0.5181613), wk = 0.0035211 k( 263) = ( 0.3990385 0.2303850 0.5338632), wk = 0.0035211 k( 264) = ( 0.3942308 0.2276092 0.5495650), wk = 0.0035211 k( 265) = ( 0.3894231 0.2248335 0.5652669), wk = 0.0035211 k( 266) = ( 0.3846154 0.2220578 0.5809687), wk = 0.0035211 k( 267) = ( 0.3798077 0.2192821 0.5966706), wk = 0.0035211 k( 268) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035211 k( 269) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035211 k( 270) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0035211 k( 271) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0035211 k( 272) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0035211 k( 273) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0035211 k( 274) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0035211 k( 275) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0035211 k( 276) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0035211 k( 277) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0035211 k( 278) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0035211 k( 279) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0035211 k( 280) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0035211 k( 281) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0035211 k( 282) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0035211 k( 283) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0035211 k( 284) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0035211 k( 3) = ( 0.0232558 -0.0000000 0.0232558), wk = 0.0035211 k( 4) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0035211 k( 5) = ( 0.0465116 -0.0000000 0.0465116), wk = 0.0035211 k( 6) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0035211 k( 7) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0035211 k( 8) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0035211 k( 9) = ( 0.0930233 -0.0000000 0.0930233), wk = 0.0035211 k( 10) = ( 0.1046512 -0.0000000 0.1046512), wk = 0.0035211 k( 11) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0035211 k( 12) = ( 0.1279070 -0.0000000 0.1279070), wk = 0.0035211 k( 13) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0035211 k( 14) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0035211 k( 15) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0035211 k( 16) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0035211 k( 17) = ( 0.1860465 -0.0000000 0.1860465), wk = 0.0035211 k( 18) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0035211 k( 19) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0035211 k( 20) = ( 0.2209302 -0.0000000 0.2209302), wk = 0.0035211 k( 21) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0035211 k( 22) = ( 0.2441860 -0.0000000 0.2441861), wk = 0.0035211 k( 23) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0035211 k( 24) = ( 0.2674419 -0.0000000 0.2674419), wk = 0.0035211 k( 25) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0035211 k( 26) = ( 0.2906977 -0.0000000 0.2906977), wk = 0.0035211 k( 27) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0035211 k( 28) = ( 0.3139535 -0.0000000 0.3139535), wk = 0.0035211 k( 29) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0035211 k( 30) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0035211 k( 31) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0035211 k( 32) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0035211 k( 33) = ( 0.3720930 -0.0000000 0.3720930), wk = 0.0035211 k( 34) = ( 0.3837209 -0.0000000 0.3837209), wk = 0.0035211 k( 35) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0035211 k( 36) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0035211 k( 37) = ( 0.4186047 0.0000000 0.4186047), wk = 0.0035211 k( 38) = ( 0.4302326 -0.0000000 0.4302326), wk = 0.0035211 k( 39) = ( 0.4418605 -0.0000000 0.4418605), wk = 0.0035211 k( 40) = ( 0.4534884 0.0000000 0.4534884), wk = 0.0035211 k( 41) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0035211 k( 42) = ( 0.4767442 -0.0000000 0.4767442), wk = 0.0035211 k( 43) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0035211 k( 44) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 k( 45) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 k( 46) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0035211 k( 47) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0035211 k( 48) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0035211 k( 49) = ( 0.5000000 0.0454545 0.5454545), wk = 0.0035211 k( 50) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0035211 k( 51) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0035211 k( 52) = ( 0.5000000 0.0795454 0.5795455), wk = 0.0035211 k( 53) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0035211 k( 54) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0035211 k( 55) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0035211 k( 56) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0035211 k( 57) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0035211 k( 58) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0035211 k( 59) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0035211 k( 60) = ( 0.5000000 0.1704545 0.6704545), wk = 0.0035211 k( 61) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0035211 k( 62) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0035211 k( 63) = ( 0.5000000 0.2045454 0.7045455), wk = 0.0035211 k( 64) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0035211 k( 65) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0035211 k( 66) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0035211 k( 67) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035211 k( 68) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035211 k( 69) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0035211 k( 70) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0035211 k( 71) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0035211 k( 72) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0035211 k( 73) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0035211 k( 74) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0035211 k( 75) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0035211 k( 76) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0035211 k( 77) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0035211 k( 78) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0035211 k( 79) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0035211 k( 80) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0035211 k( 81) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0035211 k( 82) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0035211 k( 83) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035211 k( 84) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035211 k( 85) = ( 0.3666667 0.3666667 0.7333333), wk = 0.0035211 k( 86) = ( 0.3583333 0.3583333 0.7166667), wk = 0.0035211 k( 87) = ( 0.3500000 0.3500000 0.7000000), wk = 0.0035211 k( 88) = ( 0.3416667 0.3416667 0.6833333), wk = 0.0035211 k( 89) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0035211 k( 90) = ( 0.3250000 0.3250000 0.6500000), wk = 0.0035211 k( 91) = ( 0.3166667 0.3166667 0.6333333), wk = 0.0035211 k( 92) = ( 0.3083333 0.3083333 0.6166667), wk = 0.0035211 k( 93) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0035211 k( 94) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0035211 k( 95) = ( 0.2833333 0.2833333 0.5666667), wk = 0.0035211 k( 96) = ( 0.2750000 0.2750000 0.5500000), wk = 0.0035211 k( 97) = ( 0.2666667 0.2666667 0.5333333), wk = 0.0035211 k( 98) = ( 0.2583333 0.2583333 0.5166667), wk = 0.0035211 k( 99) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035211 k( 100) = ( 0.2416667 0.2416667 0.4833333), wk = 0.0035211 k( 101) = ( 0.2333333 0.2333333 0.4666667), wk = 0.0035211 k( 102) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0035211 k( 103) = ( 0.2166667 0.2166667 0.4333333), wk = 0.0035211 k( 104) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0035211 k( 105) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0035211 k( 106) = ( 0.1916667 0.1916667 0.3833333), wk = 0.0035211 k( 107) = ( 0.1833333 0.1833333 0.3666667), wk = 0.0035211 k( 108) = ( 0.1750000 0.1750000 0.3500000), wk = 0.0035211 k( 109) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035211 k( 110) = ( 0.1583333 0.1583333 0.3166667), wk = 0.0035211 k( 111) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0035211 k( 112) = ( 0.1416667 0.1416667 0.2833333), wk = 0.0035211 k( 113) = ( 0.1333333 0.1333333 0.2666667), wk = 0.0035211 k( 114) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0035211 k( 115) = ( 0.1166667 0.1166667 0.2333333), wk = 0.0035211 k( 116) = ( 0.1083333 0.1083333 0.2166667), wk = 0.0035211 k( 117) = ( 0.1000000 0.1000000 0.2000000), wk = 0.0035211 k( 118) = ( 0.0916667 0.0916667 0.1833333), wk = 0.0035211 k( 119) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0035211 k( 120) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0035211 k( 121) = ( 0.0666667 0.0666667 0.1333333), wk = 0.0035211 k( 122) = ( 0.0583333 0.0583333 0.1166667), wk = 0.0035211 k( 123) = ( 0.0500000 0.0500000 0.1000000), wk = 0.0035211 k( 124) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0035211 k( 125) = ( 0.0333333 0.0333333 0.0666667), wk = 0.0035211 k( 126) = ( 0.0250000 0.0250000 0.0500000), wk = 0.0035211 k( 127) = ( 0.0166667 0.0166667 0.0333333), wk = 0.0035211 k( 128) = ( 0.0083333 0.0083333 0.0166667), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 131) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0035211 k( 132) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0035211 k( 133) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0035211 k( 134) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0035211 k( 135) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0035211 k( 136) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0035211 k( 137) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0035211 k( 138) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0035211 k( 139) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0035211 k( 140) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0035211 k( 141) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0035211 k( 142) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0035211 k( 143) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0035211 k( 144) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0035211 k( 145) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0035211 k( 146) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0035211 k( 147) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0035211 k( 148) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0035211 k( 149) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0035211 k( 150) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0035211 k( 151) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0035211 k( 152) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0035211 k( 153) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0035211 k( 154) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0035211 k( 155) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0035211 k( 156) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0035211 k( 157) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0035211 k( 158) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0035211 k( 159) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0035211 k( 160) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0035211 k( 161) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0035211 k( 162) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0035211 k( 163) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0035211 k( 164) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0035211 k( 165) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0035211 k( 166) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0035211 k( 167) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 168) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 169) = ( 0.5048077 0.4903846 0.5048077), wk = 0.0035211 k( 170) = ( 0.5096154 0.4807692 0.5096154), wk = 0.0035211 k( 171) = ( 0.5144231 0.4711538 0.5144231), wk = 0.0035211 k( 172) = ( 0.5192308 0.4615385 0.5192308), wk = 0.0035211 k( 173) = ( 0.5240385 0.4519231 0.5240385), wk = 0.0035211 k( 174) = ( 0.5288462 0.4423077 0.5288462), wk = 0.0035211 k( 175) = ( 0.5336538 0.4326923 0.5336538), wk = 0.0035211 k( 176) = ( 0.5384615 0.4230769 0.5384615), wk = 0.0035211 k( 177) = ( 0.5432692 0.4134615 0.5432692), wk = 0.0035211 k( 178) = ( 0.5480769 0.4038461 0.5480769), wk = 0.0035211 k( 179) = ( 0.5528846 0.3942308 0.5528846), wk = 0.0035211 k( 180) = ( 0.5576923 0.3846154 0.5576923), wk = 0.0035211 k( 181) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0035211 k( 182) = ( 0.5673077 0.3653846 0.5673077), wk = 0.0035211 k( 183) = ( 0.5721154 0.3557692 0.5721154), wk = 0.0035211 k( 184) = ( 0.5769231 0.3461538 0.5769231), wk = 0.0035211 k( 185) = ( 0.5817308 0.3365385 0.5817308), wk = 0.0035211 k( 186) = ( 0.5865385 0.3269231 0.5865385), wk = 0.0035211 k( 187) = ( 0.5913462 0.3173077 0.5913462), wk = 0.0035211 k( 188) = ( 0.5961538 0.3076923 0.5961539), wk = 0.0035211 k( 189) = ( 0.6009615 0.2980769 0.6009615), wk = 0.0035211 k( 190) = ( 0.6057692 0.2884615 0.6057692), wk = 0.0035211 k( 191) = ( 0.6105769 0.2788461 0.6105769), wk = 0.0035211 k( 192) = ( 0.6153846 0.2692308 0.6153846), wk = 0.0035211 k( 193) = ( 0.6201923 0.2596154 0.6201923), wk = 0.0035211 k( 194) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035211 k( 195) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035211 k( 196) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0035211 k( 197) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0035211 k( 198) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0035211 k( 199) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0035211 k( 200) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0035211 k( 201) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0035211 k( 202) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0035211 k( 203) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0035211 k( 204) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0035211 k( 205) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0035211 k( 206) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0035211 k( 207) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0035211 k( 208) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0035211 k( 209) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0035211 k( 210) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035211 k( 211) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035211 k( 212) = ( 0.5000000 0.2583333 0.7416667), wk = 0.0035211 k( 213) = ( 0.5000000 0.2666667 0.7333333), wk = 0.0035211 k( 214) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0035211 k( 215) = ( 0.5000000 0.2833333 0.7166667), wk = 0.0035211 k( 216) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0035211 k( 217) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0035211 k( 218) = ( 0.5000000 0.3083333 0.6916667), wk = 0.0035211 k( 219) = ( 0.5000000 0.3166667 0.6833333), wk = 0.0035211 k( 220) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0035211 k( 221) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0035211 k( 222) = ( 0.5000000 0.3416667 0.6583333), wk = 0.0035211 k( 223) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0035211 k( 224) = ( 0.5000000 0.3583333 0.6416667), wk = 0.0035211 k( 225) = ( 0.5000000 0.3666667 0.6333333), wk = 0.0035211 k( 226) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0035211 k( 227) = ( 0.5000000 0.3833333 0.6166667), wk = 0.0035211 k( 228) = ( 0.5000000 0.3916667 0.6083333), wk = 0.0035211 k( 229) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0035211 k( 230) = ( 0.5000000 0.4083333 0.5916667), wk = 0.0035211 k( 231) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0035211 k( 232) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0035211 k( 233) = ( 0.5000000 0.4333333 0.5666667), wk = 0.0035211 k( 234) = ( 0.5000000 0.4416667 0.5583333), wk = 0.0035211 k( 235) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0035211 k( 236) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0035211 k( 237) = ( 0.5000000 0.4666667 0.5333333), wk = 0.0035211 k( 238) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0035211 k( 239) = ( 0.5000000 0.4833333 0.5166667), wk = 0.0035211 k( 240) = ( 0.5000000 0.4916667 0.5083333), wk = 0.0035211 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 243) = ( 0.4951923 0.4951923 0.5096154), wk = 0.0035211 k( 244) = ( 0.4903846 0.4903846 0.5192308), wk = 0.0035211 k( 245) = ( 0.4855769 0.4855769 0.5288462), wk = 0.0035211 k( 246) = ( 0.4807692 0.4807692 0.5384615), wk = 0.0035211 k( 247) = ( 0.4759615 0.4759615 0.5480769), wk = 0.0035211 k( 248) = ( 0.4711538 0.4711538 0.5576923), wk = 0.0035211 k( 249) = ( 0.4663462 0.4663461 0.5673077), wk = 0.0035211 k( 250) = ( 0.4615385 0.4615385 0.5769231), wk = 0.0035211 k( 251) = ( 0.4567308 0.4567308 0.5865385), wk = 0.0035211 k( 252) = ( 0.4519231 0.4519231 0.5961538), wk = 0.0035211 k( 253) = ( 0.4471154 0.4471154 0.6057692), wk = 0.0035211 k( 254) = ( 0.4423077 0.4423077 0.6153846), wk = 0.0035211 k( 255) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0035211 k( 256) = ( 0.4326923 0.4326923 0.6346154), wk = 0.0035211 k( 257) = ( 0.4278846 0.4278846 0.6442308), wk = 0.0035211 k( 258) = ( 0.4230769 0.4230769 0.6538462), wk = 0.0035211 k( 259) = ( 0.4182692 0.4182692 0.6634615), wk = 0.0035211 k( 260) = ( 0.4134615 0.4134615 0.6730769), wk = 0.0035211 k( 261) = ( 0.4086538 0.4086538 0.6826923), wk = 0.0035211 k( 262) = ( 0.4038462 0.4038462 0.6923077), wk = 0.0035211 k( 263) = ( 0.3990385 0.3990385 0.7019231), wk = 0.0035211 k( 264) = ( 0.3942308 0.3942308 0.7115385), wk = 0.0035211 k( 265) = ( 0.3894231 0.3894231 0.7211538), wk = 0.0035211 k( 266) = ( 0.3846154 0.3846154 0.7307692), wk = 0.0035211 k( 267) = ( 0.3798077 0.3798077 0.7403846), wk = 0.0035211 k( 268) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035211 k( 269) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035211 k( 270) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0035211 k( 271) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0035211 k( 272) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0035211 k( 273) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0035211 k( 274) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0035211 k( 275) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0035211 k( 276) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0035211 k( 277) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0035211 k( 278) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0035211 k( 279) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0035211 k( 280) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0035211 k( 281) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0035211 k( 282) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0035211 k( 283) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0035211 k( 284) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 Dense grid: 69041 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 51733 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 380, 52) NL pseudopotentials 0.28 Mb ( 190, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1919) G-vector shells 0.00 Mb ( 494) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.21 Mb ( 380, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.15 Mb ( 96, 2, 52) The potential is recalculated from file : ./NaTl.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 9.9 secs Computing kpt #: 16 total cpu time spent up to now is 10.5 secs Computing kpt #: 17 total cpu time spent up to now is 11.1 secs Computing kpt #: 18 total cpu time spent up to now is 11.6 secs Computing kpt #: 19 total cpu time spent up to now is 12.2 secs Computing kpt #: 20 total cpu time spent up to now is 12.8 secs Computing kpt #: 21 total cpu time spent up to now is 13.5 secs Computing kpt #: 22 total cpu time spent up to now is 14.2 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.5 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.8 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.1 secs Computing kpt #: 29 total cpu time spent up to now is 18.8 secs Computing kpt #: 30 total cpu time spent up to now is 19.5 secs Computing kpt #: 31 total cpu time spent up to now is 20.1 secs Computing kpt #: 32 total cpu time spent up to now is 20.8 secs Computing kpt #: 33 total cpu time spent up to now is 21.5 secs Computing kpt #: 34 total cpu time spent up to now is 22.0 secs Computing kpt #: 35 total cpu time spent up to now is 22.5 secs Computing kpt #: 36 total cpu time spent up to now is 23.1 secs Computing kpt #: 37 total cpu time spent up to now is 23.6 secs Computing kpt #: 38 total cpu time spent up to now is 24.1 secs Computing kpt #: 39 total cpu time spent up to now is 24.7 secs Computing kpt #: 40 total cpu time spent up to now is 25.2 secs Computing kpt #: 41 total cpu time spent up to now is 25.7 secs Computing kpt #: 42 total cpu time spent up to now is 26.2 secs Computing kpt #: 43 total cpu time spent up to now is 26.8 secs Computing kpt #: 44 total cpu time spent up to now is 27.3 secs Computing kpt #: 45 total cpu time spent up to now is 27.8 secs Computing kpt #: 46 total cpu time spent up to now is 28.3 secs Computing kpt #: 47 total cpu time spent up to now is 28.8 secs Computing kpt #: 48 total cpu time spent up to now is 29.4 secs Computing kpt #: 49 total cpu time spent up to now is 29.9 secs Computing kpt #: 50 total cpu time spent up to now is 30.4 secs Computing kpt #: 51 total cpu time spent up to now is 31.0 secs Computing kpt #: 52 total cpu time spent up to now is 31.5 secs Computing kpt #: 53 total cpu time spent up to now is 32.0 secs Computing kpt #: 54 total cpu time spent up to now is 32.5 secs Computing kpt #: 55 total cpu time spent up to now is 33.1 secs Computing kpt #: 56 total cpu time spent up to now is 33.6 secs Computing kpt #: 57 total cpu time spent up to now is 34.1 secs Computing kpt #: 58 total cpu time spent up to now is 34.6 secs Computing kpt #: 59 total cpu time spent up to now is 35.1 secs Computing kpt #: 60 total cpu time spent up to now is 35.6 secs Computing kpt #: 61 total cpu time spent up to now is 36.0 secs Computing kpt #: 62 total cpu time spent up to now is 36.5 secs Computing kpt #: 63 total cpu time spent up to now is 37.0 secs Computing kpt #: 64 total cpu time spent up to now is 37.5 secs Computing kpt #: 65 total cpu time spent up to now is 37.9 secs Computing kpt #: 66 total cpu time spent up to now is 38.4 secs Computing kpt #: 67 total cpu time spent up to now is 38.9 secs Computing kpt #: 68 total cpu time spent up to now is 39.3 secs Computing kpt #: 69 total cpu time spent up to now is 39.8 secs Computing kpt #: 70 total cpu time spent up to now is 40.3 secs Computing kpt #: 71 total cpu time spent up to now is 40.8 secs Computing kpt #: 72 total cpu time spent up to now is 41.2 secs Computing kpt #: 73 total cpu time spent up to now is 41.7 secs Computing kpt #: 74 total cpu time spent up to now is 42.2 secs Computing kpt #: 75 total cpu time spent up to now is 42.7 secs Computing kpt #: 76 total cpu time spent up to now is 43.2 secs Computing kpt #: 77 total cpu time spent up to now is 43.7 secs Computing kpt #: 78 total cpu time spent up to now is 44.2 secs Computing kpt #: 79 total cpu time spent up to now is 44.7 secs Computing kpt #: 80 total cpu time spent up to now is 45.2 secs Computing kpt #: 81 total cpu time spent up to now is 45.7 secs Computing kpt #: 82 total cpu time spent up to now is 46.2 secs Computing kpt #: 83 total cpu time spent up to now is 46.8 secs Computing kpt #: 84 total cpu time spent up to now is 47.3 secs Computing kpt #: 85 total cpu time spent up to now is 47.8 secs Computing kpt #: 86 total cpu time spent up to now is 48.4 secs Computing kpt #: 87 total cpu time spent up to now is 48.9 secs Computing kpt #: 88 total cpu time spent up to now is 49.4 secs Computing kpt #: 89 total cpu time spent up to now is 49.9 secs Computing kpt #: 90 total cpu time spent up to now is 50.5 secs Computing kpt #: 91 total cpu time spent up to now is 51.0 secs Computing kpt #: 92 total cpu time spent up to now is 51.5 secs Computing kpt #: 93 total cpu time spent up to now is 52.0 secs Computing kpt #: 94 total cpu time spent up to now is 52.5 secs Computing kpt #: 95 total cpu time spent up to now is 53.1 secs Computing kpt #: 96 total cpu time spent up to now is 53.6 secs Computing kpt #: 97 total cpu time spent up to now is 54.1 secs Computing kpt #: 98 total cpu time spent up to now is 54.6 secs Computing kpt #: 99 total cpu time spent up to now is 55.1 secs Computing kpt #: 100 total cpu time spent up to now is 55.6 secs Computing kpt #: 101 total cpu time spent up to now is 56.0 secs Computing kpt #: 102 total cpu time spent up to now is 56.5 secs Computing kpt #: 103 total cpu time spent up to now is 57.0 secs Computing kpt #: 104 total cpu time spent up to now is 57.6 secs Computing kpt #: 105 total cpu time spent up to now is 58.1 secs Computing kpt #: 106 total cpu time spent up to now is 58.6 secs Computing kpt #: 107 total cpu time spent up to now is 59.1 secs Computing kpt #: 108 total cpu time spent up to now is 59.6 secs Computing kpt #: 109 total cpu time spent up to now is 60.1 secs Computing kpt #: 110 total cpu time spent up to now is 60.6 secs Computing kpt #: 111 total cpu time spent up to now is 61.2 secs Computing kpt #: 112 total cpu time spent up to now is 61.7 secs Computing kpt #: 113 total cpu time spent up to now is 62.2 secs Computing kpt #: 114 total cpu time spent up to now is 62.8 secs Computing kpt #: 115 total cpu time spent up to now is 63.3 secs Computing kpt #: 116 total cpu time spent up to now is 63.8 secs Computing kpt #: 117 total cpu time spent up to now is 64.3 secs Computing kpt #: 118 total cpu time spent up to now is 64.8 secs Computing kpt #: 119 total cpu time spent up to now is 65.4 secs Computing kpt #: 120 total cpu time spent up to now is 65.9 secs Computing kpt #: 121 total cpu time spent up to now is 66.4 secs Computing kpt #: 122 total cpu time spent up to now is 66.9 secs Computing kpt #: 123 total cpu time spent up to now is 67.5 secs Computing kpt #: 124 total cpu time spent up to now is 68.0 secs Computing kpt #: 125 total cpu time spent up to now is 68.6 secs Computing kpt #: 126 total cpu time spent up to now is 69.1 secs Computing kpt #: 127 total cpu time spent up to now is 69.7 secs Computing kpt #: 128 total cpu time spent up to now is 70.2 secs Computing kpt #: 129 total cpu time spent up to now is 70.9 secs Computing kpt #: 130 total cpu time spent up to now is 71.5 secs Computing kpt #: 131 total cpu time spent up to now is 72.1 secs Computing kpt #: 132 total cpu time spent up to now is 72.7 secs Computing kpt #: 133 total cpu time spent up to now is 73.2 secs Computing kpt #: 134 total cpu time spent up to now is 73.8 secs Computing kpt #: 135 total cpu time spent up to now is 74.3 secs Computing kpt #: 136 total cpu time spent up to now is 74.8 secs Computing kpt #: 137 total cpu time spent up to now is 75.4 secs Computing kpt #: 138 total cpu time spent up to now is 75.9 secs Computing kpt #: 139 total cpu time spent up to now is 76.4 secs Computing kpt #: 140 total cpu time spent up to now is 76.9 secs Computing kpt #: 141 total cpu time spent up to now is 77.4 secs Computing kpt #: 142 total cpu time spent up to now is 77.9 secs Computing kpt #: 143 total cpu time spent up to now is 78.4 secs Computing kpt #: 144 total cpu time spent up to now is 78.9 secs Computing kpt #: 145 total cpu time spent up to now is 79.5 secs Computing kpt #: 146 total cpu time spent up to now is 80.0 secs Computing kpt #: 147 total cpu time spent up to now is 80.5 secs Computing kpt #: 148 total cpu time spent up to now is 81.1 secs Computing kpt #: 149 total cpu time spent up to now is 81.6 secs Computing kpt #: 150 total cpu time spent up to now is 82.1 secs Computing kpt #: 151 total cpu time spent up to now is 82.7 secs Computing kpt #: 152 total cpu time spent up to now is 83.2 secs Computing kpt #: 153 total cpu time spent up to now is 83.8 secs Computing kpt #: 154 total cpu time spent up to now is 84.3 secs Computing kpt #: 155 total cpu time spent up to now is 84.8 secs Computing kpt #: 156 total cpu time spent up to now is 85.4 secs Computing kpt #: 157 total cpu time spent up to now is 85.9 secs Computing kpt #: 158 total cpu time spent up to now is 86.4 secs Computing kpt #: 159 total cpu time spent up to now is 86.9 secs Computing kpt #: 160 total cpu time spent up to now is 87.5 secs Computing kpt #: 161 total cpu time spent up to now is 88.0 secs Computing kpt #: 162 total cpu time spent up to now is 88.5 secs Computing kpt #: 163 total cpu time spent up to now is 88.9 secs Computing kpt #: 164 total cpu time spent up to now is 89.4 secs Computing kpt #: 165 total cpu time spent up to now is 89.9 secs Computing kpt #: 166 total cpu time spent up to now is 90.4 secs Computing kpt #: 167 total cpu time spent up to now is 90.9 secs Computing kpt #: 168 total cpu time spent up to now is 91.3 secs Computing kpt #: 169 total cpu time spent up to now is 91.8 secs Computing kpt #: 170 total cpu time spent up to now is 92.3 secs Computing kpt #: 171 total cpu time spent up to now is 92.8 secs Computing kpt #: 172 total cpu time spent up to now is 93.3 secs Computing kpt #: 173 total cpu time spent up to now is 93.8 secs Computing kpt #: 174 total cpu time spent up to now is 94.3 secs Computing kpt #: 175 total cpu time spent up to now is 94.9 secs Computing kpt #: 176 total cpu time spent up to now is 95.4 secs Computing kpt #: 177 total cpu time spent up to now is 96.0 secs Computing kpt #: 178 total cpu time spent up to now is 96.5 secs Computing kpt #: 179 total cpu time spent up to now is 97.1 secs Computing kpt #: 180 total cpu time spent up to now is 97.6 secs Computing kpt #: 181 total cpu time spent up to now is 98.1 secs Computing kpt #: 182 total cpu time spent up to now is 98.7 secs Computing kpt #: 183 total cpu time spent up to now is 99.2 secs Computing kpt #: 184 total cpu time spent up to now is 99.7 secs Computing kpt #: 185 total cpu time spent up to now is 100.2 secs Computing kpt #: 186 total cpu time spent up to now is 100.7 secs Computing kpt #: 187 total cpu time spent up to now is 101.3 secs Computing kpt #: 188 total cpu time spent up to now is 101.8 secs Computing kpt #: 189 total cpu time spent up to now is 102.4 secs Computing kpt #: 190 total cpu time spent up to now is 102.9 secs Computing kpt #: 191 total cpu time spent up to now is 103.4 secs Computing kpt #: 192 total cpu time spent up to now is 104.0 secs Computing kpt #: 193 total cpu time spent up to now is 104.5 secs Computing kpt #: 194 total cpu time spent up to now is 105.0 secs Computing kpt #: 195 total cpu time spent up to now is 105.5 secs Computing kpt #: 196 total cpu time spent up to now is 106.1 secs Computing kpt #: 197 total cpu time spent up to now is 106.6 secs Computing kpt #: 198 total cpu time spent up to now is 107.1 secs Computing kpt #: 199 total cpu time spent up to now is 107.6 secs Computing kpt #: 200 total cpu time spent up to now is 108.1 secs Computing kpt #: 201 total cpu time spent up to now is 108.6 secs Computing kpt #: 202 total cpu time spent up to now is 109.1 secs Computing kpt #: 203 total cpu time spent up to now is 109.6 secs Computing kpt #: 204 total cpu time spent up to now is 110.1 secs Computing kpt #: 205 total cpu time spent up to now is 110.6 secs Computing kpt #: 206 total cpu time spent up to now is 111.1 secs Computing kpt #: 207 total cpu time spent up to now is 111.6 secs Computing kpt #: 208 total cpu time spent up to now is 112.0 secs Computing kpt #: 209 total cpu time spent up to now is 112.5 secs Computing kpt #: 210 total cpu time spent up to now is 113.0 secs Computing kpt #: 211 total cpu time spent up to now is 113.4 secs Computing kpt #: 212 total cpu time spent up to now is 113.9 secs Computing kpt #: 213 total cpu time spent up to now is 114.4 secs Computing kpt #: 214 total cpu time spent up to now is 114.9 secs Computing kpt #: 215 total cpu time spent up to now is 115.3 secs Computing kpt #: 216 total cpu time spent up to now is 115.8 secs Computing kpt #: 217 total cpu time spent up to now is 116.3 secs Computing kpt #: 218 total cpu time spent up to now is 116.8 secs Computing kpt #: 219 total cpu time spent up to now is 117.3 secs Computing kpt #: 220 total cpu time spent up to now is 117.8 secs Computing kpt #: 221 total cpu time spent up to now is 118.3 secs Computing kpt #: 222 total cpu time spent up to now is 118.9 secs Computing kpt #: 223 total cpu time spent up to now is 119.4 secs Computing kpt #: 224 total cpu time spent up to now is 119.9 secs Computing kpt #: 225 total cpu time spent up to now is 120.5 secs Computing kpt #: 226 total cpu time spent up to now is 121.0 secs Computing kpt #: 227 total cpu time spent up to now is 121.5 secs Computing kpt #: 228 total cpu time spent up to now is 122.1 secs Computing kpt #: 229 total cpu time spent up to now is 122.6 secs Computing kpt #: 230 total cpu time spent up to now is 123.1 secs Computing kpt #: 231 total cpu time spent up to now is 123.7 secs Computing kpt #: 232 total cpu time spent up to now is 124.3 secs Computing kpt #: 233 total cpu time spent up to now is 124.8 secs Computing kpt #: 234 total cpu time spent up to now is 125.3 secs Computing kpt #: 235 total cpu time spent up to now is 125.9 secs Computing kpt #: 236 total cpu time spent up to now is 126.6 secs Computing kpt #: 237 total cpu time spent up to now is 127.3 secs Computing kpt #: 238 total cpu time spent up to now is 127.9 secs Computing kpt #: 239 total cpu time spent up to now is 128.4 secs Computing kpt #: 240 total cpu time spent up to now is 128.9 secs Computing kpt #: 241 total cpu time spent up to now is 129.3 secs Computing kpt #: 242 total cpu time spent up to now is 129.8 secs Computing kpt #: 243 total cpu time spent up to now is 130.3 secs Computing kpt #: 244 total cpu time spent up to now is 130.8 secs Computing kpt #: 245 total cpu time spent up to now is 131.3 secs Computing kpt #: 246 total cpu time spent up to now is 131.8 secs Computing kpt #: 247 total cpu time spent up to now is 132.3 secs Computing kpt #: 248 total cpu time spent up to now is 132.8 secs Computing kpt #: 249 total cpu time spent up to now is 133.3 secs Computing kpt #: 250 total cpu time spent up to now is 133.9 secs Computing kpt #: 251 total cpu time spent up to now is 134.4 secs Computing kpt #: 252 total cpu time spent up to now is 135.0 secs Computing kpt #: 253 total cpu time spent up to now is 135.5 secs Computing kpt #: 254 total cpu time spent up to now is 136.1 secs Computing kpt #: 255 total cpu time spent up to now is 136.6 secs Computing kpt #: 256 total cpu time spent up to now is 137.1 secs Computing kpt #: 257 total cpu time spent up to now is 137.6 secs Computing kpt #: 258 total cpu time spent up to now is 138.2 secs Computing kpt #: 259 total cpu time spent up to now is 138.7 secs Computing kpt #: 260 total cpu time spent up to now is 139.2 secs Computing kpt #: 261 total cpu time spent up to now is 139.8 secs Computing kpt #: 262 total cpu time spent up to now is 140.3 secs Computing kpt #: 263 total cpu time spent up to now is 140.8 secs Computing kpt #: 264 total cpu time spent up to now is 141.4 secs Computing kpt #: 265 total cpu time spent up to now is 141.9 secs Computing kpt #: 266 total cpu time spent up to now is 142.4 secs Computing kpt #: 267 total cpu time spent up to now is 142.9 secs Computing kpt #: 268 total cpu time spent up to now is 143.5 secs Computing kpt #: 269 total cpu time spent up to now is 144.0 secs Computing kpt #: 270 total cpu time spent up to now is 144.5 secs Computing kpt #: 271 total cpu time spent up to now is 145.0 secs Computing kpt #: 272 total cpu time spent up to now is 145.6 secs Computing kpt #: 273 total cpu time spent up to now is 146.1 secs Computing kpt #: 274 total cpu time spent up to now is 146.6 secs Computing kpt #: 275 total cpu time spent up to now is 147.1 secs Computing kpt #: 276 total cpu time spent up to now is 147.7 secs Computing kpt #: 277 total cpu time spent up to now is 148.2 secs Computing kpt #: 278 total cpu time spent up to now is 148.7 secs Computing kpt #: 279 total cpu time spent up to now is 149.3 secs Computing kpt #: 280 total cpu time spent up to now is 149.8 secs Computing kpt #: 281 total cpu time spent up to now is 150.3 secs Computing kpt #: 282 total cpu time spent up to now is 150.9 secs Computing kpt #: 283 total cpu time spent up to now is 151.4 secs Computing kpt #: 284 total cpu time spent up to now is 151.9 secs ethr = 2.27E-08, avg # of iterations = 16.7 total cpu time spent up to now is 151.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -45.3920 -45.3920 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2818 -17.2818 -17.2419 -17.2419 -17.2419 -17.2419 -5.0764 -5.0764 -5.0764 -5.0764 -5.0047 -5.0047 -5.0047 -5.0047 -3.1023 -3.1023 -2.8910 -2.8910 -2.8910 -2.8910 -2.7672 -2.7672 -2.7672 -2.7672 -2.6677 -2.6677 -1.0866 -1.0866 5.1076 5.1076 7.6531 7.6531 8.8657 8.8657 9.0932 9.0932 9.0932 9.0932 9.7635 9.7635 9.7635 9.7635 k = 0.0116-0.0067 0.0095 ( 6423 PWs) bands (ev): -45.3920 -45.3920 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2818 -17.2818 -17.2419 -17.2419 -17.2419 -17.2419 -5.0764 -5.0764 -5.0764 -5.0764 -5.0047 -5.0047 -5.0047 -5.0047 -3.1022 -3.1022 -2.8913 -2.8913 -2.8911 -2.8911 -2.7671 -2.7671 -2.7670 -2.7670 -2.6678 -2.6678 -1.0851 -1.0851 5.1026 5.1026 7.6513 7.6513 8.8230 8.8230 9.0890 9.0890 9.1254 9.1254 9.7353 9.7353 9.7756 9.7756 k = 0.0233-0.0134 0.0190 ( 6427 PWs) bands (ev): -45.3919 -45.3919 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2818 -17.2818 -17.2419 -17.2419 -17.2419 -17.2419 -5.0764 -5.0764 -5.0764 -5.0764 -5.0048 -5.0048 -5.0046 -5.0046 -3.1018 -3.1018 -2.8921 -2.8921 -2.8913 -2.8913 -2.7668 -2.7668 -2.7665 -2.7665 -2.6681 -2.6681 -1.0808 -1.0808 5.0874 5.0874 7.6455 7.6455 8.7341 8.7341 9.0782 9.0782 9.1764 9.1764 9.6932 9.6932 9.8104 9.8104 k = 0.0349-0.0201 0.0285 ( 6443 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4595 -17.4595 -17.4208 -17.4208 -17.2819 -17.2819 -17.2817 -17.2817 -17.2420 -17.2420 -17.2419 -17.2419 -5.0765 -5.0765 -5.0764 -5.0764 -5.0048 -5.0048 -5.0046 -5.0046 -3.1013 -3.1013 -2.8934 -2.8934 -2.8915 -2.8915 -2.7664 -2.7664 -2.7657 -2.7657 -2.6686 -2.6686 -1.0736 -1.0736 5.0625 5.0625 7.6354 7.6354 8.6315 8.6315 9.0644 9.0644 9.1959 9.1959 9.6865 9.6865 9.8644 9.8644 k = 0.0465-0.0269 0.0380 ( 6451 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4595 -17.4595 -17.4209 -17.4209 -17.2819 -17.2819 -17.2817 -17.2817 -17.2420 -17.2420 -17.2419 -17.2419 -5.0765 -5.0765 -5.0763 -5.0763 -5.0050 -5.0050 -5.0045 -5.0045 -3.1005 -3.1005 -2.8952 -2.8952 -2.8919 -2.8919 -2.7657 -2.7657 -2.7646 -2.7646 -2.6692 -2.6692 -1.0635 -1.0635 5.0283 5.0283 7.6202 7.6202 8.5247 8.5247 9.0515 9.0515 9.1672 9.1672 9.7329 9.7329 9.9333 9.9333 k = 0.0581-0.0336 0.0475 ( 6471 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4595 -17.4595 -17.4211 -17.4211 -17.2819 -17.2819 -17.2817 -17.2817 -17.2421 -17.2421 -17.2420 -17.2420 -5.0765 -5.0765 -5.0763 -5.0763 -5.0051 -5.0051 -5.0045 -5.0045 -3.0994 -3.0994 -2.8974 -2.8974 -2.8924 -2.8924 -2.7649 -2.7649 -2.7633 -2.7633 -2.6699 -2.6699 -1.0505 -1.0505 4.9854 4.9854 7.5993 7.5993 8.4168 8.4168 9.0430 9.0430 9.1037 9.1037 9.8188 9.8188 10.0137 10.0137 k = 0.0698-0.0403 0.0570 ( 6471 PWs) bands (ev): -45.3919 -45.3919 -45.3832 -45.3832 -17.4594 -17.4594 -17.4213 -17.4213 -17.2819 -17.2819 -17.2816 -17.2816 -17.2421 -17.2421 -17.2420 -17.2420 -5.0765 -5.0765 -5.0762 -5.0762 -5.0052 -5.0052 -5.0044 -5.0044 -3.0982 -3.0982 -2.8999 -2.8999 -2.8929 -2.8929 -2.7639 -2.7639 -2.7619 -2.7619 -2.6708 -2.6708 -1.0347 -1.0347 4.9344 4.9344 7.5723 7.5723 8.3092 8.3092 9.0232 9.0232 9.0410 9.0410 9.9264 9.9264 10.1026 10.1026 k = 0.0814-0.0470 0.0665 ( 6475 PWs) bands (ev): -45.3918 -45.3918 -45.3832 -45.3832 -17.4592 -17.4592 -17.4215 -17.4215 -17.2818 -17.2818 -17.2815 -17.2815 -17.2422 -17.2422 -17.2420 -17.2420 -5.0766 -5.0766 -5.0761 -5.0761 -5.0053 -5.0053 -5.0042 -5.0042 -3.0967 -3.0967 -2.9028 -2.9028 -2.8935 -2.8935 -2.7628 -2.7628 -2.7604 -2.7604 -2.6717 -2.6717 -1.0160 -1.0160 4.8760 4.8760 7.5389 7.5389 8.2027 8.2027 8.9360 8.9360 9.0464 9.0464 10.0456 10.0456 10.1981 10.1981 k = 0.0930-0.0537 0.0760 ( 6475 PWs) bands (ev): -45.3918 -45.3918 -45.3833 -45.3833 -17.4591 -17.4591 -17.4218 -17.4218 -17.2818 -17.2818 -17.2814 -17.2814 -17.2423 -17.2423 -17.2420 -17.2420 -5.0766 -5.0766 -5.0759 -5.0759 -5.0055 -5.0055 -5.0041 -5.0041 -3.0950 -3.0950 -2.9060 -2.9060 -2.8942 -2.8942 -2.7614 -2.7614 -2.7589 -2.7589 -2.6726 -2.6726 -0.9945 -0.9945 4.8110 4.8110 7.4993 7.4993 8.0976 8.0976 8.8467 8.8467 9.0591 9.0591 10.1717 10.1717 10.2984 10.2984 k = 0.1047-0.0604 0.0854 ( 6467 PWs) bands (ev): -45.3917 -45.3917 -45.3833 -45.3833 -17.4589 -17.4589 -17.4221 -17.4221 -17.2817 -17.2817 -17.2813 -17.2813 -17.2424 -17.2424 -17.2420 -17.2420 -5.0766 -5.0766 -5.0758 -5.0758 -5.0056 -5.0056 -5.0039 -5.0039 -3.0931 -3.0931 -2.9093 -2.9093 -2.8950 -2.8950 -2.7599 -2.7599 -2.7575 -2.7575 -2.6736 -2.6736 -0.9702 -0.9702 4.7400 4.7400 7.4541 7.4541 7.9944 7.9944 8.7575 8.7575 9.0780 9.0780 10.3022 10.3022 10.4022 10.4022 k = 0.1163-0.0671 0.0949 ( 6459 PWs) bands (ev): -45.3917 -45.3917 -45.3833 -45.3833 -17.4587 -17.4587 -17.4225 -17.4225 -17.2816 -17.2816 -17.2811 -17.2811 -17.2425 -17.2425 -17.2420 -17.2420 -5.0766 -5.0766 -5.0757 -5.0757 -5.0057 -5.0057 -5.0037 -5.0037 -3.0909 -3.0909 -2.9128 -2.9128 -2.8959 -2.8959 -2.7582 -2.7582 -2.7562 -2.7562 -2.6745 -2.6745 -0.9432 -0.9432 4.6637 4.6637 7.4040 7.4040 7.8931 7.8931 8.6699 8.6699 9.1017 9.1017 10.4357 10.4357 10.5081 10.5081 k = 0.1279-0.0738 0.1044 ( 6463 PWs) bands (ev): -45.3916 -45.3916 -45.3834 -45.3834 -17.4585 -17.4585 -17.4229 -17.4229 -17.2815 -17.2815 -17.2809 -17.2809 -17.2426 -17.2426 -17.2420 -17.2420 -5.0767 -5.0767 -5.0756 -5.0756 -5.0059 -5.0059 -5.0035 -5.0035 -3.0886 -3.0886 -2.9165 -2.9165 -2.8968 -2.8968 -2.7563 -2.7563 -2.7552 -2.7552 -2.6753 -2.6753 -0.9133 -0.9133 4.5827 4.5827 7.3497 7.3497 7.7940 7.7940 8.5844 8.5844 9.1278 9.1278 10.5714 10.5714 10.6148 10.6148 k = 0.1395-0.0806 0.1139 ( 6463 PWs) bands (ev): -45.3916 -45.3916 -45.3835 -45.3835 -17.4583 -17.4583 -17.4233 -17.4233 -17.2814 -17.2814 -17.2807 -17.2807 -17.2427 -17.2427 -17.2421 -17.2421 -5.0767 -5.0767 -5.0754 -5.0754 -5.0061 -5.0061 -5.0033 -5.0033 -3.0862 -3.0862 -2.9202 -2.9202 -2.8979 -2.8979 -2.7545 -2.7545 -2.7543 -2.7543 -2.6760 -2.6760 -0.8807 -0.8807 4.4977 4.4977 7.2923 7.2923 7.6971 7.6971 8.5015 8.5015 9.1539 9.1539 10.7087 10.7087 10.7200 10.7200 k = 0.1512-0.0873 0.1234 ( 6467 PWs) bands (ev): -45.3915 -45.3915 -45.3835 -45.3835 -17.4581 -17.4581 -17.4237 -17.4237 -17.2814 -17.2814 -17.2806 -17.2806 -17.2428 -17.2428 -17.2421 -17.2421 -5.0768 -5.0768 -5.0753 -5.0753 -5.0063 -5.0063 -5.0031 -5.0031 -3.0834 -3.0834 -2.9241 -2.9241 -2.8991 -2.8991 -2.7542 -2.7542 -2.7521 -2.7521 -2.6765 -2.6765 -0.8454 -0.8454 4.4090 4.4090 7.2324 7.2324 7.6026 7.6026 8.4215 8.4215 9.1772 9.1772 10.8200 10.8200 10.8471 10.8471 k = 0.1628-0.0940 0.1329 ( 6475 PWs) bands (ev): -45.3914 -45.3914 -45.3836 -45.3836 -17.4578 -17.4578 -17.4242 -17.4242 -17.2813 -17.2813 -17.2804 -17.2804 -17.2429 -17.2429 -17.2421 -17.2421 -5.0768 -5.0768 -5.0751 -5.0751 -5.0066 -5.0066 -5.0029 -5.0029 -3.0806 -3.0806 -2.9279 -2.9279 -2.9003 -2.9003 -2.7543 -2.7543 -2.7498 -2.7498 -2.6768 -2.6768 -0.8074 -0.8074 4.3172 4.3172 7.1710 7.1710 7.5104 7.5104 8.3446 8.3446 9.1949 9.1949 10.9066 10.9066 10.9862 10.9862 k = 0.1744-0.1007 0.1424 ( 6487 PWs) bands (ev): -45.3913 -45.3913 -45.3837 -45.3837 -17.4576 -17.4576 -17.4247 -17.4247 -17.2813 -17.2813 -17.2802 -17.2802 -17.2431 -17.2431 -17.2422 -17.2422 -5.0768 -5.0768 -5.0750 -5.0750 -5.0068 -5.0068 -5.0028 -5.0028 -3.0775 -3.0775 -2.9318 -2.9318 -2.9016 -2.9016 -2.7549 -2.7549 -2.7473 -2.7473 -2.6769 -2.6769 -0.7667 -0.7667 4.2227 4.2227 7.1085 7.1085 7.4208 7.4208 8.2709 8.2709 9.2041 9.2041 10.9658 10.9658 11.1256 11.1256 k = 0.1860-0.1074 0.1519 ( 6470 PWs) bands (ev): -45.3913 -45.3913 -45.3838 -45.3838 -17.4573 -17.4573 -17.4252 -17.4252 -17.2811 -17.2811 -17.2800 -17.2800 -17.2431 -17.2431 -17.2422 -17.2422 -5.0768 -5.0768 -5.0748 -5.0748 -5.0070 -5.0070 -5.0026 -5.0026 -3.0743 -3.0743 -2.9356 -2.9356 -2.9029 -2.9029 -2.7560 -2.7560 -2.7447 -2.7447 -2.6767 -2.6767 -0.7234 -0.7234 4.1258 4.1258 7.0458 7.0458 7.3337 7.3337 8.2006 8.2006 9.2026 9.2026 10.9934 10.9934 11.2650 11.2650 k = 0.1977-0.1141 0.1614 ( 6478 PWs) bands (ev): -45.3912 -45.3912 -45.3839 -45.3839 -17.4570 -17.4570 -17.4258 -17.4258 -17.2811 -17.2811 -17.2798 -17.2798 -17.2433 -17.2433 -17.2422 -17.2422 -5.0769 -5.0769 -5.0746 -5.0746 -5.0073 -5.0073 -5.0024 -5.0024 -3.0709 -3.0709 -2.9394 -2.9394 -2.9044 -2.9044 -2.7576 -2.7576 -2.7419 -2.7419 -2.6763 -2.6763 -0.6775 -0.6775 4.0268 4.0268 6.9831 6.9831 7.2493 7.2493 8.1336 8.1336 9.1890 9.1890 11.0083 11.0083 11.4041 11.4041 k = 0.2093-0.1208 0.1709 ( 6470 PWs) bands (ev): -45.3911 -45.3911 -45.3840 -45.3840 -17.4566 -17.4566 -17.4263 -17.4263 -17.2809 -17.2809 -17.2796 -17.2796 -17.2434 -17.2434 -17.2423 -17.2423 -5.0768 -5.0768 -5.0744 -5.0744 -5.0075 -5.0075 -5.0023 -5.0023 -3.0673 -3.0673 -2.9432 -2.9432 -2.9058 -2.9058 -2.7597 -2.7597 -2.7390 -2.7390 -2.6757 -2.6757 -0.6291 -0.6291 3.9261 3.9261 6.9210 6.9210 7.1675 7.1675 8.0702 8.0702 9.1626 9.1626 11.0281 11.0281 11.5207 11.5207 k = 0.2209-0.1276 0.1804 ( 6454 PWs) bands (ev): -45.3910 -45.3910 -45.3841 -45.3841 -17.4563 -17.4563 -17.4269 -17.4269 -17.2807 -17.2807 -17.2794 -17.2794 -17.2434 -17.2434 -17.2423 -17.2423 -5.0768 -5.0768 -5.0742 -5.0742 -5.0077 -5.0077 -5.0021 -5.0021 -3.0637 -3.0637 -2.9468 -2.9468 -2.9072 -2.9072 -2.7622 -2.7622 -2.7361 -2.7361 -2.6748 -2.6748 -0.5781 -0.5781 3.8238 3.8238 6.8599 6.8599 7.0884 7.0884 8.0102 8.0102 9.1241 9.1241 11.0603 11.0603 11.6318 11.6318 k = 0.2326-0.1343 0.1899 ( 6462 PWs) bands (ev): -45.3909 -45.3909 -45.3842 -45.3842 -17.4559 -17.4559 -17.4275 -17.4275 -17.2806 -17.2806 -17.2792 -17.2792 -17.2436 -17.2436 -17.2423 -17.2423 -5.0768 -5.0768 -5.0740 -5.0740 -5.0079 -5.0079 -5.0020 -5.0020 -3.0599 -3.0599 -2.9504 -2.9504 -2.9086 -2.9086 -2.7652 -2.7652 -2.7330 -2.7330 -2.6738 -2.6738 -0.5246 -0.5246 3.7202 3.7202 6.7999 6.7999 7.0121 7.0121 7.9538 7.9538 9.0747 9.0747 11.1065 11.1065 11.7466 11.7466 k = 0.2442-0.1410 0.1994 ( 6454 PWs) bands (ev): -45.3907 -45.3907 -45.3843 -45.3843 -17.4555 -17.4555 -17.4281 -17.4281 -17.2805 -17.2805 -17.2790 -17.2790 -17.2436 -17.2436 -17.2424 -17.2424 -5.0768 -5.0768 -5.0738 -5.0738 -5.0081 -5.0081 -5.0019 -5.0019 -3.0560 -3.0560 -2.9538 -2.9538 -2.9101 -2.9101 -2.7685 -2.7685 -2.7298 -2.7298 -2.6726 -2.6726 -0.4687 -0.4687 3.6155 3.6155 6.7415 6.7415 6.9386 6.9386 7.9009 7.9009 9.0163 9.0163 11.1661 11.1661 11.8635 11.8635 k = 0.2558-0.1477 0.2089 ( 6454 PWs) bands (ev): -45.3906 -45.3906 -45.3844 -45.3844 -17.4551 -17.4551 -17.4288 -17.4288 -17.2803 -17.2803 -17.2788 -17.2788 -17.2437 -17.2437 -17.2424 -17.2424 -5.0767 -5.0767 -5.0737 -5.0737 -5.0083 -5.0083 -5.0019 -5.0019 -3.0521 -3.0521 -2.9572 -2.9572 -2.9115 -2.9115 -2.7723 -2.7723 -2.7266 -2.7266 -2.6714 -2.6714 -0.4103 -0.4103 3.5099 3.5099 6.6847 6.6847 6.8679 6.8679 7.8517 7.8517 8.9509 8.9509 11.2376 11.2376 11.9819 11.9819 k = 0.2674-0.1544 0.2184 ( 6458 PWs) bands (ev): -45.3905 -45.3905 -45.3845 -45.3845 -17.4548 -17.4548 -17.4294 -17.4294 -17.2803 -17.2803 -17.2787 -17.2787 -17.2438 -17.2438 -17.2425 -17.2425 -5.0767 -5.0767 -5.0735 -5.0735 -5.0085 -5.0085 -5.0018 -5.0018 -3.0481 -3.0481 -2.9604 -2.9604 -2.9128 -2.9128 -2.7763 -2.7763 -2.7234 -2.7234 -2.6702 -2.6702 -0.3496 -0.3496 3.4036 3.4036 6.6299 6.6299 6.8001 6.8001 7.8061 7.8061 8.8802 8.8802 11.3193 11.3193 12.1015 12.1015 k = 0.2791-0.1611 0.2279 ( 6446 PWs) bands (ev): -45.3904 -45.3904 -45.3846 -45.3846 -17.4543 -17.4543 -17.4301 -17.4301 -17.2801 -17.2801 -17.2785 -17.2785 -17.2439 -17.2439 -17.2425 -17.2425 -5.0766 -5.0766 -5.0733 -5.0733 -5.0087 -5.0087 -5.0018 -5.0018 -3.0440 -3.0440 -2.9635 -2.9635 -2.9141 -2.9141 -2.7806 -2.7806 -2.7200 -2.7200 -2.6688 -2.6688 -0.2865 -0.2865 3.2966 3.2966 6.5771 6.5771 6.7352 6.7352 7.7641 7.7641 8.8061 8.8061 11.4095 11.4095 12.2222 12.2222 k = 0.2907-0.1678 0.2374 ( 6446 PWs) bands (ev): -45.3902 -45.3902 -45.3848 -45.3848 -17.4539 -17.4539 -17.4307 -17.4307 -17.2800 -17.2800 -17.2783 -17.2783 -17.2440 -17.2440 -17.2426 -17.2426 -5.0765 -5.0765 -5.0732 -5.0732 -5.0088 -5.0088 -5.0018 -5.0018 -3.0399 -3.0399 -2.9664 -2.9664 -2.9152 -2.9152 -2.7852 -2.7852 -2.7167 -2.7167 -2.6676 -2.6676 -0.2211 -0.2211 3.1891 3.1891 6.5266 6.5266 6.6732 6.6732 7.7257 7.7257 8.7299 8.7299 11.5067 11.5067 12.3441 12.3441 k = 0.3023-0.1745 0.2468 ( 6474 PWs) bands (ev): -45.3901 -45.3901 -45.3849 -45.3849 -17.4535 -17.4535 -17.4315 -17.4315 -17.2800 -17.2800 -17.2782 -17.2782 -17.2441 -17.2441 -17.2427 -17.2427 -5.0764 -5.0764 -5.0731 -5.0731 -5.0091 -5.0091 -5.0019 -5.0019 -3.0359 -3.0359 -2.9692 -2.9692 -2.9163 -2.9163 -2.7900 -2.7900 -2.7134 -2.7134 -2.6664 -2.6664 -0.1535 -0.1535 3.0813 3.0813 6.4784 6.4784 6.6143 6.6143 7.6910 7.6910 8.6527 8.6527 11.6096 11.6096 12.4671 12.4671 k = 0.3140-0.1813 0.2563 ( 6474 PWs) bands (ev): -45.3900 -45.3900 -45.3850 -45.3850 -17.4530 -17.4530 -17.4322 -17.4322 -17.2798 -17.2798 -17.2781 -17.2781 -17.2442 -17.2442 -17.2428 -17.2428 -5.0764 -5.0764 -5.0730 -5.0730 -5.0091 -5.0091 -5.0020 -5.0020 -3.0320 -3.0320 -2.9719 -2.9719 -2.9171 -2.9171 -2.7950 -2.7950 -2.7100 -2.7100 -2.6653 -2.6653 -0.0837 -0.0837 2.9733 2.9733 6.4326 6.4326 6.5583 6.5583 7.6600 7.6600 8.5754 8.5754 11.7171 11.7171 12.5914 12.5914 k = 0.3256-0.1880 0.2658 ( 6462 PWs) bands (ev): -45.3898 -45.3898 -45.3852 -45.3852 -17.4525 -17.4525 -17.4329 -17.4329 -17.2796 -17.2796 -17.2779 -17.2779 -17.2442 -17.2442 -17.2428 -17.2428 -5.0762 -5.0762 -5.0728 -5.0728 -5.0092 -5.0092 -5.0021 -5.0021 -3.0280 -3.0280 -2.9743 -2.9743 -2.9177 -2.9177 -2.8002 -2.8002 -2.7067 -2.7067 -2.6642 -2.6642 -0.0117 -0.0117 2.8652 2.8652 6.3895 6.3895 6.5054 6.5054 7.6326 7.6326 8.4990 8.4990 11.8283 11.8283 12.7173 12.7173 k = 0.3372-0.1947 0.2753 ( 6462 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4520 -17.4520 -17.4336 -17.4336 -17.2795 -17.2795 -17.2778 -17.2778 -17.2442 -17.2442 -17.2429 -17.2429 -5.0761 -5.0761 -5.0727 -5.0727 -5.0092 -5.0092 -5.0023 -5.0023 -3.0242 -3.0242 -2.9766 -2.9766 -2.9181 -2.9181 -2.8055 -2.8055 -2.7034 -2.7034 -2.6633 -2.6633 0.0625 0.0625 2.7570 2.7570 6.3489 6.3489 6.4556 6.4556 7.6090 7.6090 8.4238 8.4238 11.9423 11.9423 12.8448 12.8448 k = 0.3488-0.2014 0.2848 ( 6474 PWs) bands (ev): -45.3896 -45.3896 -45.3855 -45.3855 -17.4515 -17.4515 -17.4343 -17.4343 -17.2794 -17.2794 -17.2777 -17.2777 -17.2443 -17.2443 -17.2430 -17.2430 -5.0760 -5.0760 -5.0727 -5.0727 -5.0093 -5.0093 -5.0025 -5.0025 -3.0205 -3.0205 -2.9788 -2.9788 -2.9182 -2.9182 -2.8109 -2.8109 -2.7001 -2.7001 -2.6625 -2.6625 0.1386 0.1386 2.6490 2.6490 6.3111 6.3111 6.4089 6.4089 7.5890 7.5890 8.3505 8.3505 12.0585 12.0585 12.9741 12.9741 k = 0.3605-0.2081 0.2943 ( 6490 PWs) bands (ev): -45.3894 -45.3894 -45.3856 -45.3856 -17.4510 -17.4510 -17.4351 -17.4351 -17.2793 -17.2793 -17.2777 -17.2777 -17.2444 -17.2444 -17.2431 -17.2431 -5.0759 -5.0759 -5.0727 -5.0727 -5.0093 -5.0093 -5.0027 -5.0027 -3.0171 -3.0171 -2.9808 -2.9808 -2.9180 -2.9180 -2.8164 -2.8164 -2.6969 -2.6969 -2.6618 -2.6618 0.2168 0.2168 2.5411 2.5411 6.2761 6.2761 6.3653 6.3653 7.5727 7.5727 8.2793 8.2793 12.1762 12.1762 13.1055 13.1055 k = 0.3721-0.2148 0.3038 ( 6474 PWs) bands (ev): -45.3893 -45.3893 -45.3858 -45.3858 -17.4505 -17.4505 -17.4357 -17.4357 -17.2791 -17.2791 -17.2776 -17.2776 -17.2444 -17.2444 -17.2431 -17.2431 -5.0757 -5.0757 -5.0726 -5.0726 -5.0092 -5.0092 -5.0029 -5.0029 -3.0138 -3.0138 -2.9827 -2.9827 -2.9173 -2.9173 -2.8220 -2.8220 -2.6938 -2.6938 -2.6613 -2.6613 0.2970 0.2970 2.4335 2.4335 6.2439 6.2439 6.3248 6.3248 7.5602 7.5602 8.2107 8.2107 12.2949 12.2949 13.2389 13.2389 k = 0.3837-0.2215 0.3133 ( 6482 PWs) bands (ev): -45.3891 -45.3891 -45.3859 -45.3859 -17.4500 -17.4500 -17.4365 -17.4365 -17.2790 -17.2790 -17.2776 -17.2776 -17.2444 -17.2444 -17.2432 -17.2432 -5.0755 -5.0755 -5.0726 -5.0726 -5.0092 -5.0092 -5.0032 -5.0032 -3.0108 -3.0108 -2.9843 -2.9843 -2.9163 -2.9163 -2.8277 -2.8277 -2.6907 -2.6907 -2.6609 -2.6609 0.3790 0.3790 2.3262 2.3262 6.2147 6.2147 6.2875 6.2875 7.5513 7.5513 8.1448 8.1448 12.4139 12.4139 13.3436 13.3436 k = 0.3953-0.2283 0.3228 ( 6486 PWs) bands (ev): -45.3890 -45.3890 -45.3861 -45.3861 -17.4494 -17.4494 -17.4372 -17.4372 -17.2789 -17.2789 -17.2775 -17.2775 -17.2444 -17.2444 -17.2433 -17.2433 -5.0753 -5.0753 -5.0726 -5.0726 -5.0091 -5.0091 -5.0035 -5.0035 -3.0081 -3.0081 -2.9859 -2.9859 -2.9148 -2.9148 -2.8334 -2.8334 -2.6878 -2.6878 -2.6607 -2.6607 0.4630 0.4630 2.2194 2.2194 6.1884 6.1884 6.2534 6.2534 7.5461 7.5461 8.0818 8.0818 12.5329 12.5329 13.4295 13.4295 k = 0.4070-0.2350 0.3323 ( 6478 PWs) bands (ev): -45.3888 -45.3888 -45.3862 -45.3862 -17.4488 -17.4488 -17.4379 -17.4379 -17.2787 -17.2787 -17.2775 -17.2775 -17.2443 -17.2443 -17.2433 -17.2433 -5.0751 -5.0751 -5.0726 -5.0726 -5.0089 -5.0089 -5.0038 -5.0038 -3.0057 -3.0057 -2.9872 -2.9872 -2.9129 -2.9129 -2.8391 -2.8391 -2.6849 -2.6849 -2.6607 -2.6607 0.5487 0.5487 2.1132 2.1132 6.1651 6.1651 6.2224 6.2224 7.5447 7.5447 8.0220 8.0220 12.6512 12.6512 13.5055 13.5055 k = 0.4186-0.2417 0.3418 ( 6486 PWs) bands (ev): -45.3887 -45.3887 -45.3864 -45.3864 -17.4482 -17.4482 -17.4387 -17.4387 -17.2786 -17.2786 -17.2775 -17.2775 -17.2444 -17.2444 -17.2435 -17.2435 -5.0750 -5.0750 -5.0727 -5.0727 -5.0088 -5.0088 -5.0042 -5.0042 -3.0036 -3.0036 -2.9885 -2.9885 -2.9106 -2.9106 -2.8448 -2.8448 -2.6822 -2.6822 -2.6608 -2.6608 0.6362 0.6362 2.0075 2.0075 6.1449 6.1449 6.1947 6.1947 7.5469 7.5469 7.9654 7.9654 12.7683 12.7683 13.5690 13.5690 k = 0.4302-0.2484 0.3513 ( 6486 PWs) bands (ev): -45.3885 -45.3885 -45.3865 -45.3865 -17.4476 -17.4476 -17.4394 -17.4394 -17.2784 -17.2784 -17.2775 -17.2775 -17.2443 -17.2443 -17.2435 -17.2435 -5.0748 -5.0748 -5.0728 -5.0728 -5.0085 -5.0085 -5.0045 -5.0045 -3.0017 -3.0017 -2.9897 -2.9897 -2.9077 -2.9077 -2.8505 -2.8505 -2.6796 -2.6796 -2.6612 -2.6612 0.7253 0.7253 1.9026 1.9026 6.1277 6.1277 6.1702 6.1702 7.5529 7.5529 7.9122 7.9122 12.8836 12.8836 13.6169 13.6169 k = 0.4419-0.2551 0.3608 ( 6474 PWs) bands (ev): -45.3883 -45.3883 -45.3867 -45.3867 -17.4469 -17.4469 -17.4401 -17.4401 -17.2783 -17.2783 -17.2775 -17.2775 -17.2443 -17.2443 -17.2436 -17.2436 -5.0746 -5.0746 -5.0729 -5.0729 -5.0083 -5.0083 -5.0048 -5.0048 -3.0001 -3.0001 -2.9906 -2.9906 -2.9045 -2.9045 -2.8562 -2.8562 -2.6771 -2.6771 -2.6617 -2.6617 0.8161 0.8161 1.7984 1.7984 6.1137 6.1137 6.1489 6.1489 7.5626 7.5626 7.8624 7.8624 12.9963 12.9963 13.6459 13.6459 k = 0.4535-0.2618 0.3703 ( 6474 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4463 -17.4463 -17.4408 -17.4408 -17.2782 -17.2782 -17.2775 -17.2775 -17.2442 -17.2442 -17.2437 -17.2437 -5.0744 -5.0744 -5.0730 -5.0730 -5.0080 -5.0080 -5.0052 -5.0052 -2.9987 -2.9987 -2.9916 -2.9916 -2.9008 -2.9008 -2.8618 -2.8618 -2.6748 -2.6748 -2.6624 -2.6624 0.9084 0.9084 1.6951 1.6951 6.1028 6.1028 6.1309 6.1309 7.5760 7.5760 7.8161 7.8161 13.1056 13.1056 13.6538 13.6538 k = 0.4651-0.2685 0.3798 ( 6482 PWs) bands (ev): -45.3880 -45.3880 -45.3870 -45.3870 -17.4456 -17.4456 -17.4415 -17.4415 -17.2781 -17.2781 -17.2776 -17.2776 -17.2442 -17.2442 -17.2438 -17.2438 -5.0742 -5.0742 -5.0731 -5.0731 -5.0077 -5.0077 -5.0056 -5.0056 -2.9976 -2.9976 -2.9924 -2.9924 -2.8969 -2.8969 -2.8673 -2.8673 -2.6726 -2.6726 -2.6633 -2.6633 1.0022 1.0022 1.5927 1.5927 6.0950 6.0950 6.1160 6.1160 7.5931 7.5931 7.7733 7.7733 13.2103 13.2103 13.6397 13.6397 k = 0.4767-0.2752 0.3893 ( 6482 PWs) bands (ev): -45.3878 -45.3878 -45.3872 -45.3872 -17.4450 -17.4450 -17.4422 -17.4422 -17.2780 -17.2780 -17.2776 -17.2776 -17.2441 -17.2441 -17.2439 -17.2439 -5.0740 -5.0740 -5.0733 -5.0733 -5.0074 -5.0074 -5.0060 -5.0060 -2.9965 -2.9965 -2.9933 -2.9933 -2.8925 -2.8925 -2.8727 -2.8727 -2.6706 -2.6706 -2.6644 -2.6644 1.0974 1.0974 1.4914 1.4914 6.0905 6.0905 6.1045 6.1045 7.6140 7.6140 7.7341 7.7341 13.3092 13.3092 13.6046 13.6046 k = 0.4884-0.2820 0.3988 ( 6482 PWs) bands (ev): -45.3877 -45.3877 -45.3874 -45.3874 -17.4443 -17.4443 -17.4429 -17.4429 -17.2778 -17.2778 -17.2777 -17.2777 -17.2441 -17.2441 -17.2440 -17.2440 -5.0738 -5.0738 -5.0735 -5.0735 -5.0071 -5.0071 -5.0063 -5.0063 -2.9956 -2.9956 -2.9940 -2.9940 -2.8879 -2.8879 -2.8780 -2.8780 -2.6688 -2.6688 -2.6657 -2.6657 1.1941 1.1941 1.3911 1.3911 6.0892 6.0892 6.0961 6.0961 7.6385 7.6385 7.6986 7.6986 13.4005 13.4005 13.5510 13.5510 k = 0.5000-0.2887 0.4082 ( 6466 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4436 -17.4436 -17.4436 -17.4436 -17.2777 -17.2777 -17.2777 -17.2777 -17.2440 -17.2440 -17.2440 -17.2440 -5.0736 -5.0736 -5.0736 -5.0736 -5.0067 -5.0067 -5.0067 -5.0067 -2.9948 -2.9948 -2.9948 -2.9948 -2.8830 -2.8830 -2.8830 -2.8830 -2.6671 -2.6671 -2.6671 -2.6671 1.2920 1.2920 1.2920 1.2920 6.0910 6.0910 6.0910 6.0910 7.6667 7.6667 7.6667 7.6667 13.4820 13.4820 13.4820 13.4820 k = 0.5000-0.2887 0.4082 ( 6466 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4436 -17.4436 -17.4436 -17.4436 -17.2777 -17.2777 -17.2777 -17.2777 -17.2440 -17.2440 -17.2440 -17.2440 -5.0736 -5.0736 -5.0736 -5.0736 -5.0067 -5.0067 -5.0067 -5.0067 -2.9948 -2.9948 -2.9948 -2.9948 -2.8830 -2.8830 -2.8830 -2.8830 -2.6671 -2.6671 -2.6671 -2.6671 1.2920 1.2920 1.2920 1.2920 6.0910 6.0910 6.0910 6.0910 7.6667 7.6667 7.6667 7.6667 13.4820 13.4820 13.4820 13.4820 k = 0.5000-0.2756 0.4175 ( 6468 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4437 -17.4437 -17.4435 -17.4435 -17.2784 -17.2784 -17.2771 -17.2771 -17.2445 -17.2445 -17.2435 -17.2435 -5.0746 -5.0746 -5.0726 -5.0726 -5.0083 -5.0083 -5.0051 -5.0051 -2.9981 -2.9981 -2.9914 -2.9914 -2.8847 -2.8847 -2.8814 -2.8814 -2.6712 -2.6712 -2.6631 -2.6631 1.2906 1.2906 1.2938 1.2938 6.0634 6.0634 6.1081 6.1081 7.6527 7.6527 7.6985 7.6985 13.4266 13.4266 13.5136 13.5136 k = 0.5000-0.2624 0.4268 ( 6478 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4438 -17.4438 -17.4434 -17.4434 -17.2790 -17.2790 -17.2764 -17.2764 -17.2451 -17.2451 -17.2430 -17.2430 -5.0755 -5.0755 -5.0716 -5.0716 -5.0099 -5.0099 -5.0036 -5.0036 -3.0012 -3.0012 -2.9880 -2.9880 -2.8864 -2.8864 -2.8798 -2.8798 -2.6754 -2.6754 -2.6591 -2.6591 1.2898 1.2898 1.2960 1.2960 6.0265 6.0265 6.1136 6.1136 7.6572 7.6572 7.7467 7.7467 13.3511 13.3511 13.5172 13.5172 k = 0.5000-0.2493 0.4361 ( 6482 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4439 -17.4439 -17.4433 -17.4433 -17.2796 -17.2796 -17.2757 -17.2757 -17.2457 -17.2457 -17.2425 -17.2425 -5.0764 -5.0764 -5.0706 -5.0706 -5.0116 -5.0116 -5.0021 -5.0021 -3.0043 -3.0043 -2.9845 -2.9845 -2.8881 -2.8881 -2.8783 -2.8783 -2.6796 -2.6796 -2.6553 -2.6553 1.2894 1.2894 1.2987 1.2987 5.9824 5.9824 6.1078 6.1078 7.6803 7.6803 7.8094 7.8094 13.2579 13.2579 13.4881 13.4881 k = 0.5000-0.2362 0.4454 ( 6482 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4441 -17.4441 -17.4432 -17.4432 -17.2802 -17.2802 -17.2750 -17.2750 -17.2463 -17.2463 -17.2420 -17.2420 -5.0772 -5.0772 -5.0695 -5.0695 -5.0133 -5.0133 -5.0006 -5.0006 -3.0072 -3.0072 -2.9810 -2.9810 -2.8897 -2.8897 -2.8768 -2.8768 -2.6838 -2.6838 -2.6516 -2.6516 1.2894 1.2894 1.3019 1.3019 5.9329 5.9329 6.0916 6.0916 7.7207 7.7207 7.8848 7.8848 13.1494 13.1494 13.4239 13.4239 k = 0.5000-0.2231 0.4546 ( 6486 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4442 -17.4442 -17.4431 -17.4431 -17.2808 -17.2808 -17.2743 -17.2743 -17.2470 -17.2470 -17.2416 -17.2416 -5.0781 -5.0781 -5.0684 -5.0684 -5.0149 -5.0149 -4.9992 -4.9992 -3.0100 -3.0100 -2.9774 -2.9774 -2.8914 -2.8914 -2.8753 -2.8753 -2.6881 -2.6881 -2.6480 -2.6480 1.2899 1.2899 1.3054 1.3054 5.8797 5.8797 6.0666 6.0666 7.7770 7.7770 7.9710 7.9710 13.0278 13.0278 13.3265 13.3265 k = 0.5000-0.2099 0.4639 ( 6492 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4443 -17.4443 -17.4430 -17.4430 -17.2813 -17.2813 -17.2736 -17.2736 -17.2476 -17.2476 -17.2412 -17.2412 -5.0788 -5.0788 -5.0673 -5.0673 -5.0166 -5.0166 -4.9979 -4.9979 -3.0127 -3.0127 -2.9737 -2.9737 -2.8930 -2.8930 -2.8740 -2.8740 -2.6923 -2.6923 -2.6445 -2.6445 1.2908 1.2908 1.3092 1.3092 5.8245 5.8245 6.0346 6.0346 7.8471 7.8471 8.0667 8.0667 12.8950 12.8950 13.2016 13.2016 k = 0.5000-0.1968 0.4732 ( 6496 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4444 -17.4444 -17.4429 -17.4429 -17.2818 -17.2818 -17.2728 -17.2728 -17.2483 -17.2483 -17.2408 -17.2408 -5.0796 -5.0796 -5.0661 -5.0661 -5.0183 -5.0183 -4.9966 -4.9966 -3.0152 -3.0152 -2.9701 -2.9701 -2.8946 -2.8946 -2.8728 -2.8728 -2.6964 -2.6964 -2.6413 -2.6413 1.2920 1.2920 1.3134 1.3134 5.7684 5.7684 5.9978 5.9978 7.9289 7.9289 8.1705 8.1705 12.7533 12.7533 13.0567 13.0567 k = 0.5000-0.1837 0.4825 ( 6504 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4445 -17.4445 -17.4428 -17.4428 -17.2823 -17.2823 -17.2721 -17.2721 -17.2490 -17.2490 -17.2405 -17.2405 -5.0803 -5.0803 -5.0649 -5.0649 -5.0200 -5.0200 -4.9953 -4.9953 -3.0176 -3.0176 -2.9665 -2.9665 -2.8962 -2.8962 -2.8716 -2.8716 -2.7005 -2.7005 -2.6381 -2.6381 1.2935 1.2935 1.3178 1.3178 5.7127 5.7127 5.9578 5.9578 8.0207 8.0207 8.2813 8.2813 12.6045 12.6045 12.8980 12.8980 k = 0.5000-0.1706 0.4918 ( 6504 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4446 -17.4446 -17.4428 -17.4428 -17.2827 -17.2827 -17.2713 -17.2713 -17.2497 -17.2497 -17.2401 -17.2401 -5.0809 -5.0809 -5.0637 -5.0637 -5.0217 -5.0217 -4.9941 -4.9941 -3.0199 -3.0199 -2.9629 -2.9629 -2.8977 -2.8977 -2.8705 -2.8705 -2.7045 -2.7045 -2.6352 -2.6352 1.2953 1.2953 1.3223 1.3223 5.6581 5.6581 5.9161 5.9161 8.1207 8.1207 8.3982 8.3982 12.4505 12.4505 12.7303 12.7303 k = 0.5000-0.1575 0.5010 ( 6508 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4447 -17.4447 -17.4427 -17.4427 -17.2831 -17.2831 -17.2705 -17.2705 -17.2504 -17.2504 -17.2398 -17.2398 -5.0816 -5.0816 -5.0625 -5.0625 -5.0234 -5.0234 -4.9930 -4.9930 -3.0220 -3.0220 -2.9594 -2.9594 -2.8991 -2.8991 -2.8696 -2.8696 -2.7084 -2.7084 -2.6324 -2.6324 1.2973 1.2973 1.3270 1.3270 5.6054 5.6054 5.8741 5.8741 8.2274 8.2274 8.5206 8.5206 12.2929 12.2929 12.5569 12.5569 k = 0.5000-0.1443 0.5103 ( 6508 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4448 -17.4448 -17.4426 -17.4426 -17.2835 -17.2835 -17.2697 -17.2697 -17.2511 -17.2511 -17.2395 -17.2395 -5.0821 -5.0821 -5.0613 -5.0613 -5.0250 -5.0250 -4.9920 -4.9920 -3.0239 -3.0239 -2.9559 -2.9559 -2.9005 -2.9005 -2.8687 -2.8687 -2.7121 -2.7121 -2.6298 -2.6298 1.2995 1.2995 1.3316 1.3316 5.5553 5.5553 5.8327 5.8327 8.3396 8.3396 8.6478 8.6478 12.1332 12.1332 12.3802 12.3802 k = 0.5000-0.1312 0.5196 ( 6512 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4449 -17.4449 -17.4425 -17.4425 -17.2839 -17.2839 -17.2690 -17.2690 -17.2518 -17.2518 -17.2392 -17.2392 -5.0826 -5.0826 -5.0601 -5.0601 -5.0267 -5.0267 -4.9910 -4.9910 -3.0257 -3.0257 -2.9526 -2.9526 -2.9017 -2.9017 -2.8679 -2.8679 -2.7157 -2.7157 -2.6274 -2.6274 1.3017 1.3017 1.3362 1.3362 5.5081 5.5081 5.7929 5.7929 8.4560 8.4560 8.7792 8.7792 11.9728 11.9728 12.2019 12.2019 k = 0.5000-0.1181 0.5289 ( 6510 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4449 -17.4449 -17.4425 -17.4425 -17.2842 -17.2842 -17.2682 -17.2682 -17.2525 -17.2525 -17.2390 -17.2390 -5.0831 -5.0831 -5.0588 -5.0588 -5.0283 -5.0283 -4.9902 -4.9902 -3.0273 -3.0273 -2.9494 -2.9494 -2.9029 -2.9029 -2.8673 -2.8673 -2.7190 -2.7190 -2.6252 -2.6252 1.3040 1.3040 1.3407 1.3407 5.4643 5.4643 5.7553 5.7553 8.5755 8.5755 8.9142 8.9142 11.8130 11.8130 12.0233 12.0233 k = 0.5000-0.1050 0.5381 ( 6518 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4450 -17.4450 -17.4424 -17.4424 -17.2845 -17.2845 -17.2674 -17.2674 -17.2533 -17.2533 -17.2388 -17.2388 -5.0835 -5.0835 -5.0576 -5.0576 -5.0299 -5.0299 -4.9894 -4.9894 -3.0288 -3.0288 -2.9464 -2.9464 -2.9040 -2.9040 -2.8668 -2.8668 -2.7221 -2.7221 -2.6233 -2.6233 1.3062 1.3062 1.3450 1.3450 5.4243 5.4243 5.7205 5.7205 8.6969 8.6969 9.0523 9.0523 11.6553 11.6553 11.8454 11.8454 k = 0.5000-0.0919 0.5474 ( 6528 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4451 -17.4451 -17.4424 -17.4424 -17.2848 -17.2848 -17.2666 -17.2666 -17.2540 -17.2540 -17.2386 -17.2386 -5.0839 -5.0839 -5.0564 -5.0564 -5.0314 -5.0314 -4.9887 -4.9887 -3.0301 -3.0301 -2.9436 -2.9436 -2.9049 -2.9049 -2.8663 -2.8663 -2.7249 -2.7249 -2.6215 -2.6215 1.3083 1.3083 1.3490 1.3490 5.3884 5.3884 5.6889 5.6889 8.8186 8.8186 9.1928 9.1928 11.5012 11.5012 11.6694 11.6694 k = 0.5000-0.0787 0.5567 ( 6518 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4451 -17.4451 -17.4423 -17.4423 -17.2850 -17.2850 -17.2658 -17.2658 -17.2547 -17.2547 -17.2384 -17.2384 -5.0842 -5.0842 -5.0551 -5.0551 -5.0328 -5.0328 -4.9880 -4.9880 -3.0312 -3.0312 -2.9411 -2.9411 -2.9057 -2.9057 -2.8660 -2.8660 -2.7274 -2.7274 -2.6200 -2.6200 1.3103 1.3103 1.3526 1.3526 5.3567 5.3567 5.6608 5.6608 8.9388 8.9388 9.3348 9.3348 11.3527 11.3527 11.4963 11.4963 k = 0.5000-0.0656 0.5660 ( 6522 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4452 -17.4452 -17.4423 -17.4423 -17.2852 -17.2852 -17.2651 -17.2651 -17.2554 -17.2554 -17.2383 -17.2383 -5.0845 -5.0845 -5.0540 -5.0540 -5.0342 -5.0342 -4.9875 -4.9875 -3.0321 -3.0321 -2.9388 -2.9388 -2.9065 -2.9065 -2.8657 -2.8657 -2.7296 -2.7296 -2.6187 -2.6187 1.3120 1.3120 1.3558 1.3558 5.3296 5.3296 5.6366 5.6366 9.0552 9.0552 9.4770 9.4770 11.2122 11.2122 11.3276 11.3276 k = 0.5000-0.0525 0.5753 ( 6528 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4452 -17.4452 -17.4423 -17.4423 -17.2854 -17.2854 -17.2644 -17.2644 -17.2561 -17.2561 -17.2382 -17.2382 -5.0847 -5.0847 -5.0529 -5.0529 -5.0355 -5.0355 -4.9871 -4.9871 -3.0329 -3.0329 -2.9370 -2.9370 -2.9071 -2.9071 -2.8656 -2.8656 -2.7314 -2.7314 -2.6177 -2.6177 1.3135 1.3135 1.3585 1.3585 5.3072 5.3072 5.6166 5.6166 9.1643 9.1643 9.6173 9.6173 11.0834 11.0834 11.1655 11.1655 k = 0.5000-0.0394 0.5845 ( 6536 PWs) bands (ev): -45.3876 -45.3876 -45.3876 -45.3876 -17.4453 -17.4453 -17.4423 -17.4423 -17.2855 -17.2855 -17.2637 -17.2637 -17.2568 -17.2568 -17.2381 -17.2381 -5.0849 -5.0849 -5.0519 -5.0519 -5.0366 -5.0366 -4.9867 -4.9867 -3.0335 -3.0335 -2.9354 -2.9354 -2.9076 -2.9076 -2.8655 -2.8655 -2.7329 -2.7329 -2.6168 -2.6168 1.3148 1.3148 1.3606 1.3606 5.2896 5.2896 5.6008 5.6008 9.2614 9.2614 9.7518 9.7518 10.9709 10.9709 11.0140 11.0140 k = 0.5000-0.0262 0.5938 ( 6536 PWs) bands (ev): -45.3876 -45.3876 -45.3876 -45.3876 -17.4453 -17.4453 -17.4422 -17.4422 -17.2856 -17.2856 -17.2632 -17.2632 -17.2574 -17.2574 -17.2380 -17.2380 -5.0850 -5.0850 -5.0511 -5.0511 -5.0375 -5.0375 -4.9865 -4.9865 -3.0340 -3.0340 -2.9343 -2.9343 -2.9079 -2.9079 -2.8654 -2.8654 -2.7339 -2.7339 -2.6162 -2.6162 1.3157 1.3157 1.3622 1.3622 5.2770 5.2770 5.5894 5.5894 9.3398 9.3398 9.8725 9.8725 10.8810 10.8810 10.8813 10.8813 k = 0.5000-0.0131 0.6031 ( 6552 PWs) bands (ev): -45.3876 -45.3876 -45.3876 -45.3876 -17.4453 -17.4453 -17.4423 -17.4423 -17.2857 -17.2857 -17.2628 -17.2628 -17.2578 -17.2578 -17.2380 -17.2380 -5.0851 -5.0851 -5.0506 -5.0506 -5.0381 -5.0381 -4.9864 -4.9864 -3.0343 -3.0343 -2.9337 -2.9337 -2.9081 -2.9081 -2.8654 -2.8654 -2.7346 -2.7346 -2.6159 -2.6159 1.3162 1.3162 1.3632 1.3632 5.2694 5.2694 5.5825 5.5825 9.3918 9.3918 9.9637 9.9637 10.7826 10.7826 10.8227 10.8227 k = 0.5000-0.0000 0.6124 ( 6588 PWs) bands (ev): -45.3876 -45.3876 -45.3876 -45.3876 -17.4454 -17.4454 -17.4423 -17.4423 -17.2858 -17.2858 -17.2628 -17.2628 -17.2580 -17.2580 -17.2381 -17.2381 -5.0853 -5.0853 -5.0505 -5.0505 -5.0384 -5.0384 -4.9864 -4.9864 -3.0344 -3.0344 -2.9335 -2.9335 -2.9082 -2.9082 -2.8654 -2.8654 -2.7348 -2.7348 -2.6158 -2.6158 1.3164 1.3164 1.3635 1.3635 5.2669 5.2669 5.5802 5.5802 9.4102 9.4102 9.9994 9.9994 10.7444 10.7444 10.8021 10.8021 k = 0.5000-0.0000 0.6124 ( 6588 PWs) bands (ev): -45.3876 -45.3876 -45.3876 -45.3876 -17.4454 -17.4454 -17.4423 -17.4423 -17.2858 -17.2858 -17.2628 -17.2628 -17.2580 -17.2580 -17.2381 -17.2381 -5.0853 -5.0853 -5.0505 -5.0505 -5.0384 -5.0384 -4.9864 -4.9864 -3.0344 -3.0344 -2.9335 -2.9335 -2.9082 -2.9082 -2.8654 -2.8654 -2.7348 -2.7348 -2.6158 -2.6158 1.3164 1.3164 1.3635 1.3635 5.2669 5.2669 5.5802 5.5802 9.4102 9.4102 9.9994 9.9994 10.7444 10.7444 10.8021 10.8021 k = 0.4917 0.0144 0.6124 ( 6544 PWs) bands (ev): -45.3876 -45.3876 -45.3875 -45.3875 -17.4454 -17.4454 -17.4422 -17.4422 -17.2857 -17.2857 -17.2627 -17.2627 -17.2578 -17.2578 -17.2380 -17.2380 -5.0852 -5.0852 -5.0505 -5.0505 -5.0382 -5.0382 -4.9863 -4.9863 -3.0343 -3.0343 -2.9337 -2.9337 -2.9080 -2.9080 -2.8652 -2.8652 -2.7346 -2.7346 -2.6159 -2.6159 1.2912 1.2912 1.3884 1.3884 5.2639 5.2639 5.5883 5.5883 9.3942 9.3942 9.9831 9.9831 10.7506 10.7506 10.8328 10.8328 k = 0.4833 0.0289 0.6124 ( 6536 PWs) bands (ev): -45.3877 -45.3877 -45.3874 -45.3874 -17.4454 -17.4454 -17.4421 -17.4421 -17.2856 -17.2856 -17.2629 -17.2629 -17.2576 -17.2576 -17.2380 -17.2380 -5.0851 -5.0851 -5.0507 -5.0507 -5.0379 -5.0379 -4.9864 -4.9864 -3.0341 -3.0341 -2.9346 -2.9346 -2.9076 -2.9076 -2.8650 -2.8650 -2.7342 -2.7342 -2.6162 -2.6162 1.2543 1.2543 1.4245 1.4245 5.2546 5.2546 5.6127 5.6127 9.3421 9.3421 9.9481 9.9481 10.7911 10.7911 10.8937 10.8937 k = 0.4750 0.0433 0.6124 ( 6531 PWs) bands (ev): -45.3878 -45.3878 -45.3873 -45.3873 -17.4455 -17.4455 -17.4420 -17.4420 -17.2856 -17.2856 -17.2632 -17.2632 -17.2573 -17.2573 -17.2380 -17.2380 -5.0851 -5.0851 -5.0511 -5.0511 -5.0375 -5.0375 -4.9865 -4.9865 -3.0339 -3.0339 -2.9358 -2.9358 -2.9070 -2.9070 -2.8646 -2.8646 -2.7336 -2.7336 -2.6167 -2.6167 1.2184 1.2184 1.4589 1.4589 5.2401 5.2401 5.6522 5.6522 9.2526 9.2526 9.9140 9.9140 10.8591 10.8591 10.9732 10.9732 k = 0.4667 0.0577 0.6124 ( 6523 PWs) bands (ev): -45.3878 -45.3878 -45.3872 -45.3872 -17.4457 -17.4457 -17.4418 -17.4418 -17.2855 -17.2855 -17.2635 -17.2635 -17.2570 -17.2570 -17.2380 -17.2380 -5.0850 -5.0850 -5.0515 -5.0515 -5.0369 -5.0369 -4.9866 -4.9866 -3.0336 -3.0336 -2.9373 -2.9373 -2.9063 -2.9063 -2.8642 -2.8642 -2.7327 -2.7327 -2.6174 -2.6174 1.1850 1.1850 1.4904 1.4904 5.2222 5.2222 5.7046 5.7046 9.1330 9.1330 9.8885 9.8885 10.9423 10.9423 11.0686 11.0686 k = 0.4583 0.0722 0.6124 ( 6521 PWs) bands (ev): -45.3879 -45.3879 -45.3872 -45.3872 -17.4458 -17.4458 -17.4416 -17.4416 -17.2855 -17.2855 -17.2639 -17.2639 -17.2566 -17.2566 -17.2381 -17.2381 -5.0849 -5.0849 -5.0520 -5.0520 -5.0363 -5.0363 -4.9868 -4.9868 -3.0333 -3.0333 -2.9390 -2.9390 -2.9056 -2.9056 -2.8638 -2.8638 -2.7317 -2.7317 -2.6183 -2.6183 1.1543 1.1543 1.5188 1.5188 5.2029 5.2029 5.7676 5.7676 8.9939 8.9939 9.8707 9.8707 11.0338 11.0338 11.1770 11.1770 k = 0.4500 0.0866 0.6124 ( 6517 PWs) bands (ev): -45.3880 -45.3880 -45.3871 -45.3871 -17.4459 -17.4459 -17.4414 -17.4414 -17.2854 -17.2854 -17.2642 -17.2642 -17.2563 -17.2563 -17.2381 -17.2381 -5.0849 -5.0849 -5.0525 -5.0525 -5.0357 -5.0357 -4.9870 -4.9870 -3.0329 -3.0329 -2.9407 -2.9407 -2.9049 -2.9049 -2.8633 -2.8633 -2.7305 -2.7305 -2.6193 -2.6193 1.1264 1.1264 1.5439 1.5439 5.1833 5.1833 5.8390 5.8390 8.8444 8.8444 9.8577 9.8577 11.1302 11.1302 11.2955 11.2955 k = 0.4417 0.1010 0.6124 ( 6521 PWs) bands (ev): -45.3880 -45.3880 -45.3871 -45.3871 -17.4461 -17.4461 -17.4413 -17.4413 -17.2854 -17.2854 -17.2646 -17.2646 -17.2559 -17.2559 -17.2382 -17.2382 -5.0848 -5.0848 -5.0530 -5.0530 -5.0351 -5.0351 -4.9872 -4.9872 -3.0325 -3.0325 -2.9425 -2.9425 -2.9043 -2.9043 -2.8629 -2.8629 -2.7292 -2.7292 -2.6204 -2.6204 1.1014 1.1014 1.5659 1.5659 5.1645 5.1645 5.9172 5.9172 8.6912 8.6912 9.8475 9.8475 11.2293 11.2293 11.4215 11.4215 k = 0.4333 0.1155 0.6124 ( 6515 PWs) bands (ev): -45.3880 -45.3880 -45.3870 -45.3870 -17.4462 -17.4462 -17.4411 -17.4411 -17.2853 -17.2853 -17.2649 -17.2649 -17.2556 -17.2556 -17.2382 -17.2382 -5.0847 -5.0847 -5.0534 -5.0534 -5.0345 -5.0345 -4.9874 -4.9874 -3.0321 -3.0321 -2.9441 -2.9441 -2.9038 -2.9038 -2.8625 -2.8625 -2.7278 -2.7278 -2.6215 -2.6215 1.0793 1.0793 1.5850 1.5850 5.1471 5.1471 6.0003 6.0003 8.5389 8.5389 9.8388 9.8388 11.3292 11.3292 11.5529 11.5529 k = 0.4250 0.1299 0.6124 ( 6509 PWs) bands (ev): -45.3881 -45.3881 -45.3870 -45.3870 -17.4463 -17.4463 -17.4410 -17.4410 -17.2852 -17.2852 -17.2652 -17.2652 -17.2553 -17.2553 -17.2382 -17.2382 -5.0847 -5.0847 -5.0538 -5.0538 -5.0339 -5.0339 -4.9876 -4.9876 -3.0317 -3.0317 -2.9455 -2.9455 -2.9033 -2.9033 -2.8621 -2.8621 -2.7264 -2.7264 -2.6226 -2.6226 1.0601 1.0601 1.6011 1.6011 5.1314 5.1314 6.0860 6.0860 8.3913 8.3913 9.8314 9.8314 11.4275 11.4275 11.6883 11.6883 k = 0.4167 0.1443 0.6124 ( 6516 PWs) bands (ev): -45.3881 -45.3881 -45.3870 -45.3870 -17.4464 -17.4464 -17.4409 -17.4409 -17.2852 -17.2852 -17.2655 -17.2655 -17.2551 -17.2551 -17.2383 -17.2383 -5.0846 -5.0846 -5.0542 -5.0542 -5.0334 -5.0334 -4.9879 -4.9879 -3.0314 -3.0314 -2.9469 -2.9469 -2.9029 -2.9029 -2.8618 -2.8618 -2.7251 -2.7251 -2.6237 -2.6237 1.0439 1.0439 1.6146 1.6146 5.1179 5.1179 6.1719 6.1719 8.2521 8.2521 9.8250 9.8250 11.5216 11.5216 11.8259 11.8259 k = 0.4083 0.1588 0.6124 ( 6514 PWs) bands (ev): -45.3881 -45.3881 -45.3869 -45.3869 -17.4465 -17.4465 -17.4408 -17.4408 -17.2851 -17.2851 -17.2657 -17.2657 -17.2548 -17.2548 -17.2383 -17.2383 -5.0845 -5.0845 -5.0545 -5.0545 -5.0330 -5.0330 -4.9880 -4.9880 -3.0310 -3.0310 -2.9480 -2.9480 -2.9026 -2.9026 -2.8616 -2.8616 -2.7239 -2.7239 -2.6246 -2.6246 1.0306 1.0306 1.6253 1.6253 5.1065 5.1065 6.2545 6.2545 8.1254 8.1254 9.8196 9.8196 11.6082 11.6082 11.9637 11.9637 k = 0.4000 0.1732 0.6124 ( 6508 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4466 -17.4466 -17.4407 -17.4407 -17.2851 -17.2851 -17.2659 -17.2659 -17.2547 -17.2547 -17.2383 -17.2383 -5.0845 -5.0845 -5.0548 -5.0548 -5.0326 -5.0326 -4.9882 -4.9882 -3.0308 -3.0308 -2.9489 -2.9489 -2.9024 -2.9024 -2.8613 -2.8613 -2.7229 -2.7229 -2.6254 -2.6254 1.0202 1.0202 1.6336 1.6336 5.0976 5.0976 6.3292 6.3292 8.0161 8.0161 9.8153 9.8153 11.6831 11.6831 12.0982 12.0982 k = 0.3917 0.1876 0.6124 ( 6508 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4466 -17.4466 -17.4406 -17.4406 -17.2850 -17.2850 -17.2660 -17.2660 -17.2545 -17.2545 -17.2384 -17.2384 -5.0845 -5.0845 -5.0550 -5.0550 -5.0324 -5.0324 -4.9883 -4.9883 -3.0306 -3.0306 -2.9495 -2.9495 -2.9023 -2.9023 -2.8612 -2.8612 -2.7221 -2.7221 -2.6260 -2.6260 1.0129 1.0129 1.6394 1.6394 5.0912 5.0912 6.3902 6.3902 7.9303 7.9303 9.8121 9.8121 11.7419 11.7419 12.2224 12.2224 k = 0.3833 0.2021 0.6124 ( 6508 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4466 -17.4466 -17.4406 -17.4406 -17.2850 -17.2850 -17.2661 -17.2661 -17.2545 -17.2545 -17.2384 -17.2384 -5.0844 -5.0844 -5.0551 -5.0551 -5.0322 -5.0322 -4.9884 -4.9884 -3.0304 -3.0304 -2.9499 -2.9499 -2.9022 -2.9022 -2.8611 -2.8611 -2.7217 -2.7217 -2.6264 -2.6264 1.0084 1.0084 1.6429 1.6429 5.0873 5.0873 6.4307 6.4307 7.8749 7.8749 9.8102 9.8102 11.7797 11.7797 12.3201 12.3201 k = 0.3750 0.2165 0.6124 ( 6511 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4467 -17.4467 -17.4406 -17.4406 -17.2850 -17.2850 -17.2661 -17.2661 -17.2545 -17.2545 -17.2384 -17.2384 -5.0844 -5.0844 -5.0551 -5.0551 -5.0322 -5.0322 -4.9884 -4.9884 -3.0304 -3.0304 -2.9501 -2.9501 -2.9022 -2.9022 -2.8611 -2.8611 -2.7215 -2.7215 -2.6266 -2.6266 1.0069 1.0069 1.6441 1.6441 5.0860 5.0860 6.4450 6.4450 7.8556 7.8556 9.8096 9.8096 11.7928 11.7928 12.3602 12.3602 k = 0.3750 0.2165 0.6124 ( 6511 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4467 -17.4467 -17.4406 -17.4406 -17.2850 -17.2850 -17.2661 -17.2661 -17.2545 -17.2545 -17.2384 -17.2384 -5.0844 -5.0844 -5.0551 -5.0551 -5.0322 -5.0322 -4.9884 -4.9884 -3.0304 -3.0304 -2.9501 -2.9501 -2.9022 -2.9022 -2.8611 -2.8611 -2.7215 -2.7215 -2.6266 -2.6266 1.0069 1.0069 1.6441 1.6441 5.0860 5.0860 6.4450 6.4450 7.8556 7.8556 9.8096 9.8096 11.7928 11.7928 12.3602 12.3602 k = 0.3667 0.2117 0.5988 ( 6507 PWs) bands (ev): -45.3883 -45.3883 -45.3868 -45.3868 -17.4470 -17.4470 -17.4402 -17.4402 -17.2852 -17.2852 -17.2653 -17.2653 -17.2552 -17.2552 -17.2382 -17.2382 -5.0848 -5.0848 -5.0537 -5.0537 -5.0337 -5.0337 -4.9878 -4.9878 -3.0314 -3.0314 -2.9502 -2.9502 -2.9013 -2.9013 -2.8595 -2.8595 -2.7233 -2.7233 -2.6262 -2.6262 0.9632 0.9632 1.6923 1.6923 5.0488 5.0488 6.4872 6.4872 7.8829 7.8829 9.9897 9.9897 11.6882 11.6882 12.2473 12.2473 k = 0.3583 0.2069 0.5852 ( 6503 PWs) bands (ev): -45.3884 -45.3884 -45.3867 -45.3867 -17.4473 -17.4473 -17.4398 -17.4398 -17.2855 -17.2855 -17.2645 -17.2645 -17.2560 -17.2560 -17.2380 -17.2380 -5.0851 -5.0851 -5.0523 -5.0523 -5.0352 -5.0352 -4.9873 -4.9873 -3.0323 -3.0323 -2.9509 -2.9509 -2.9001 -2.9001 -2.8578 -2.8578 -2.7248 -2.7248 -2.6261 -2.6261 0.9162 0.9162 1.7435 1.7435 5.0196 5.0196 6.5318 6.5318 7.9110 7.9110 10.1620 10.1620 11.5912 11.5912 12.1354 12.1354 k = 0.3500 0.2021 0.5715 ( 6511 PWs) bands (ev): -45.3885 -45.3885 -45.3866 -45.3866 -17.4477 -17.4477 -17.4395 -17.4395 -17.2857 -17.2857 -17.2638 -17.2638 -17.2567 -17.2567 -17.2379 -17.2379 -5.0854 -5.0854 -5.0510 -5.0510 -5.0366 -5.0366 -4.9869 -4.9869 -3.0330 -3.0330 -2.9522 -2.9522 -2.8987 -2.8987 -2.8559 -2.8559 -2.7260 -2.7260 -2.6265 -2.6265 0.8660 0.8660 1.7978 1.7978 4.9986 4.9986 6.5786 6.5786 7.9398 7.9398 10.3219 10.3219 11.5038 11.5038 12.0249 12.0249 k = 0.3417 0.1973 0.5579 ( 6507 PWs) bands (ev): -45.3886 -45.3886 -45.3865 -45.3865 -17.4480 -17.4480 -17.4391 -17.4391 -17.2858 -17.2858 -17.2631 -17.2631 -17.2574 -17.2574 -17.2378 -17.2378 -5.0857 -5.0857 -5.0497 -5.0497 -5.0379 -5.0379 -4.9865 -4.9865 -3.0336 -3.0336 -2.9540 -2.9540 -2.8972 -2.8972 -2.8537 -2.8537 -2.7270 -2.7270 -2.6271 -2.6271 0.8128 0.8128 1.8551 1.8551 4.9857 4.9857 6.6275 6.6275 7.9689 7.9689 10.4623 10.4623 11.4285 11.4285 11.9160 11.9160 k = 0.3333 0.1925 0.5443 ( 6517 PWs) bands (ev): -45.3887 -45.3887 -45.3864 -45.3864 -17.4484 -17.4484 -17.4387 -17.4387 -17.2860 -17.2860 -17.2625 -17.2625 -17.2580 -17.2580 -17.2377 -17.2377 -5.0859 -5.0859 -5.0486 -5.0486 -5.0390 -5.0390 -4.9863 -4.9863 -3.0340 -3.0340 -2.9561 -2.9561 -2.8958 -2.8958 -2.8512 -2.8512 -2.7276 -2.7276 -2.6281 -2.6281 0.7568 0.7568 1.9153 1.9153 4.9808 4.9808 6.6783 6.6783 7.9981 7.9981 10.5745 10.5745 11.3683 11.3683 11.8092 11.8092 k = 0.3250 0.1876 0.5307 ( 6509 PWs) bands (ev): -45.3888 -45.3888 -45.3863 -45.3863 -17.4487 -17.4487 -17.4382 -17.4382 -17.2861 -17.2861 -17.2621 -17.2621 -17.2584 -17.2584 -17.2377 -17.2377 -5.0861 -5.0861 -5.0478 -5.0478 -5.0397 -5.0397 -4.9862 -4.9862 -3.0343 -3.0343 -2.9584 -2.9584 -2.8946 -2.8946 -2.8483 -2.8483 -2.7280 -2.7280 -2.6293 -2.6293 0.6983 0.6983 1.9785 1.9785 4.9838 4.9838 6.7311 6.7311 8.0272 8.0272 10.6500 10.6500 11.3247 11.3247 11.7049 11.7049 k = 0.3167 0.1828 0.5171 ( 6497 PWs) bands (ev): -45.3889 -45.3889 -45.3862 -45.3862 -17.4491 -17.4491 -17.4377 -17.4377 -17.2861 -17.2861 -17.2620 -17.2620 -17.2585 -17.2585 -17.2376 -17.2376 -5.0861 -5.0861 -5.0475 -5.0475 -5.0399 -5.0399 -4.9861 -4.9861 -3.0346 -3.0346 -2.9609 -2.9609 -2.8936 -2.8936 -2.8450 -2.8450 -2.7282 -2.7282 -2.6309 -2.6309 0.6375 0.6375 2.0446 2.0446 4.9946 4.9946 6.7856 6.7856 8.0557 8.0557 10.6856 10.6856 11.2938 11.2938 11.6037 11.6037 k = 0.3083 0.1780 0.5035 ( 6505 PWs) bands (ev): -45.3890 -45.3890 -45.3861 -45.3861 -17.4495 -17.4495 -17.4372 -17.4372 -17.2862 -17.2862 -17.2623 -17.2623 -17.2582 -17.2582 -17.2376 -17.2376 -5.0862 -5.0862 -5.0478 -5.0478 -5.0395 -5.0395 -4.9861 -4.9861 -3.0347 -3.0347 -2.9634 -2.9634 -2.8928 -2.8928 -2.8414 -2.8414 -2.7281 -2.7281 -2.6327 -2.6327 0.5747 0.5747 2.1136 2.1136 5.0129 5.0129 6.8417 6.8417 8.0835 8.0835 10.6871 10.6871 11.2655 11.2655 11.5065 11.5065 k = 0.3000 0.1732 0.4899 ( 6505 PWs) bands (ev): -45.3891 -45.3891 -45.3860 -45.3860 -17.4499 -17.4499 -17.4367 -17.4367 -17.2862 -17.2862 -17.2629 -17.2629 -17.2577 -17.2577 -17.2376 -17.2376 -5.0863 -5.0863 -5.0486 -5.0486 -5.0386 -5.0386 -4.9862 -4.9862 -3.0349 -3.0349 -2.9659 -2.9659 -2.8923 -2.8923 -2.8375 -2.8375 -2.7279 -2.7279 -2.6349 -2.6349 0.5103 0.5103 2.1854 2.1854 5.0385 5.0385 6.8993 6.8993 8.1102 8.1102 10.6659 10.6659 11.2287 11.2287 11.4144 11.4144 k = 0.2917 0.1684 0.4763 ( 6509 PWs) bands (ev): -45.3892 -45.3892 -45.3859 -45.3859 -17.4504 -17.4504 -17.4362 -17.4362 -17.2863 -17.2863 -17.2636 -17.2636 -17.2570 -17.2570 -17.2376 -17.2376 -5.0862 -5.0862 -5.0496 -5.0496 -5.0374 -5.0374 -4.9864 -4.9864 -3.0350 -3.0350 -2.9683 -2.9683 -2.8921 -2.8921 -2.8333 -2.8333 -2.7276 -2.7276 -2.6373 -2.6373 0.4445 0.4445 2.2600 2.2600 5.0711 5.0711 6.9581 6.9581 8.1354 8.1354 10.6326 10.6326 11.1774 11.1774 11.3286 11.3286 k = 0.2833 0.1636 0.4627 ( 6509 PWs) bands (ev): -45.3893 -45.3893 -45.3858 -45.3858 -17.4508 -17.4508 -17.4356 -17.4356 -17.2863 -17.2863 -17.2643 -17.2643 -17.2563 -17.2563 -17.2377 -17.2377 -5.0862 -5.0862 -5.0507 -5.0507 -5.0361 -5.0361 -4.9867 -4.9867 -3.0352 -3.0352 -2.9706 -2.9706 -2.8920 -2.8920 -2.8289 -2.8289 -2.7270 -2.7270 -2.6399 -2.6399 0.3777 0.3777 2.3373 2.3373 5.1105 5.1105 7.0179 7.0179 8.1589 8.1589 10.5942 10.5942 11.1119 11.1119 11.2494 11.2494 k = 0.2750 0.1588 0.4491 ( 6505 PWs) bands (ev): -45.3894 -45.3894 -45.3857 -45.3857 -17.4512 -17.4512 -17.4351 -17.4351 -17.2862 -17.2862 -17.2650 -17.2650 -17.2556 -17.2556 -17.2377 -17.2377 -5.0861 -5.0861 -5.0519 -5.0519 -5.0346 -5.0346 -4.9870 -4.9870 -3.0356 -3.0356 -2.9725 -2.9725 -2.8921 -2.8921 -2.8244 -2.8244 -2.7264 -2.7264 -2.6428 -2.6428 0.3102 0.3102 2.4173 2.4173 5.1564 5.1564 7.0786 7.0786 8.1803 8.1803 10.5548 10.5548 11.0365 11.0365 11.1751 11.1751 k = 0.2667 0.1540 0.4355 ( 6501 PWs) bands (ev): -45.3895 -45.3895 -45.3855 -45.3855 -17.4516 -17.4516 -17.4345 -17.4345 -17.2862 -17.2862 -17.2658 -17.2658 -17.2549 -17.2549 -17.2378 -17.2378 -5.0860 -5.0860 -5.0532 -5.0532 -5.0331 -5.0331 -4.9874 -4.9874 -3.0361 -3.0361 -2.9741 -2.9741 -2.8924 -2.8924 -2.8197 -2.8197 -2.7257 -2.7257 -2.6458 -2.6458 0.2423 0.2423 2.4999 2.4999 5.2085 5.2085 7.1399 7.1399 8.1995 8.1995 10.5167 10.5167 10.9560 10.9560 11.1042 11.1042 k = 0.2583 0.1491 0.4219 ( 6497 PWs) bands (ev): -45.3897 -45.3897 -45.3854 -45.3854 -17.4519 -17.4519 -17.4340 -17.4340 -17.2861 -17.2861 -17.2666 -17.2666 -17.2542 -17.2542 -17.2379 -17.2379 -5.0858 -5.0858 -5.0544 -5.0544 -5.0316 -5.0316 -4.9878 -4.9878 -3.0368 -3.0368 -2.9753 -2.9753 -2.8927 -2.8927 -2.8150 -2.8150 -2.7249 -2.7249 -2.6490 -2.6490 0.1742 0.1742 2.5849 2.5849 5.2665 5.2665 7.2014 7.2014 8.2164 8.2164 10.4806 10.4806 10.8738 10.8738 11.0365 11.0365 k = 0.2500 0.1443 0.4082 ( 6475 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4523 -17.4523 -17.4333 -17.4333 -17.2859 -17.2859 -17.2673 -17.2673 -17.2535 -17.2535 -17.2379 -17.2379 -5.0856 -5.0856 -5.0556 -5.0556 -5.0301 -5.0301 -4.9883 -4.9883 -3.0378 -3.0378 -2.9760 -2.9760 -2.8931 -2.8931 -2.8103 -2.8103 -2.7241 -2.7241 -2.6523 -2.6523 0.1062 0.1062 2.6724 2.6724 5.3303 5.3303 7.2628 7.2628 8.2309 8.2309 10.4466 10.4466 10.7919 10.7919 10.9729 10.9729 k = 0.2417 0.1395 0.3946 ( 6489 PWs) bands (ev): -45.3899 -45.3899 -45.3852 -45.3852 -17.4527 -17.4527 -17.4328 -17.4328 -17.2858 -17.2858 -17.2681 -17.2681 -17.2528 -17.2528 -17.2381 -17.2381 -5.0854 -5.0854 -5.0568 -5.0568 -5.0286 -5.0286 -4.9888 -4.9888 -3.0392 -3.0392 -2.9762 -2.9762 -2.8935 -2.8935 -2.8057 -2.8057 -2.7233 -2.7233 -2.6558 -2.6558 0.0387 0.0387 2.7623 2.7623 5.3995 5.3995 7.3238 7.3238 8.2430 8.2430 10.4137 10.4137 10.7114 10.7114 10.9153 10.9153 k = 0.2333 0.1347 0.3810 ( 6483 PWs) bands (ev): -45.3900 -45.3900 -45.3850 -45.3850 -17.4531 -17.4531 -17.4321 -17.4321 -17.2857 -17.2857 -17.2689 -17.2689 -17.2521 -17.2521 -17.2382 -17.2382 -5.0852 -5.0852 -5.0580 -5.0580 -5.0271 -5.0271 -4.9894 -4.9894 -3.0409 -3.0409 -2.9758 -2.9758 -2.8940 -2.8940 -2.8011 -2.8011 -2.7226 -2.7226 -2.6593 -2.6593 -0.0283 -0.0283 2.8543 2.8543 5.4739 5.4739 7.3838 7.3838 8.2532 8.2532 10.3803 10.3803 10.6329 10.6329 10.8659 10.8659 k = 0.2250 0.1299 0.3674 ( 6499 PWs) bands (ev): -45.3901 -45.3901 -45.3849 -45.3849 -17.4536 -17.4536 -17.4316 -17.4316 -17.2856 -17.2856 -17.2697 -17.2697 -17.2515 -17.2515 -17.2384 -17.2384 -5.0849 -5.0849 -5.0592 -5.0592 -5.0257 -5.0257 -4.9901 -4.9901 -3.0430 -3.0430 -2.9749 -2.9749 -2.8945 -2.8945 -2.7967 -2.7967 -2.7219 -2.7219 -2.6629 -2.6629 -0.0943 -0.0943 2.9484 2.9484 5.5533 5.5533 7.4424 7.4424 8.2617 8.2617 10.3444 10.3444 10.5565 10.5565 10.8271 10.8271 k = 0.2167 0.1251 0.3538 ( 6495 PWs) bands (ev): -45.3902 -45.3902 -45.3848 -45.3848 -17.4540 -17.4540 -17.4310 -17.4310 -17.2855 -17.2855 -17.2705 -17.2705 -17.2508 -17.2508 -17.2385 -17.2385 -5.0846 -5.0846 -5.0604 -5.0604 -5.0243 -5.0243 -4.9907 -4.9907 -3.0453 -3.0453 -2.9735 -2.9735 -2.8949 -2.8949 -2.7924 -2.7924 -2.7213 -2.7213 -2.6663 -2.6663 -0.1594 -0.1594 3.0444 3.0444 5.6374 5.6374 7.4989 7.4989 8.2693 8.2693 10.3047 10.3047 10.4826 10.4826 10.8008 10.8008 k = 0.2083 0.1203 0.3402 ( 6487 PWs) bands (ev): -45.3903 -45.3903 -45.3847 -45.3847 -17.4543 -17.4543 -17.4304 -17.4304 -17.2853 -17.2853 -17.2712 -17.2712 -17.2502 -17.2502 -17.2387 -17.2387 -5.0843 -5.0843 -5.0615 -5.0615 -5.0228 -5.0228 -4.9914 -4.9914 -3.0478 -3.0478 -2.9716 -2.9716 -2.8953 -2.8953 -2.7882 -2.7882 -2.7209 -2.7209 -2.6697 -2.6697 -0.2232 -0.2232 3.1423 3.1423 5.7260 5.7260 7.5526 7.5526 8.2766 8.2766 10.2602 10.2602 10.4111 10.4111 10.7878 10.7878 k = 0.2000 0.1155 0.3266 ( 6481 PWs) bands (ev): -45.3905 -45.3905 -45.3846 -45.3846 -17.4547 -17.4547 -17.4298 -17.4298 -17.2851 -17.2851 -17.2719 -17.2719 -17.2496 -17.2496 -17.2388 -17.2388 -5.0839 -5.0839 -5.0626 -5.0626 -5.0215 -5.0215 -4.9921 -4.9921 -3.0506 -3.0506 -2.9692 -2.9692 -2.8957 -2.8957 -2.7843 -2.7843 -2.7206 -2.7206 -2.6729 -2.6729 -0.2855 -0.2855 3.2418 3.2418 5.8189 5.8189 7.6029 7.6029 8.2846 8.2846 10.2116 10.2116 10.3419 10.3419 10.7874 10.7874 k = 0.1917 0.1107 0.3130 ( 6477 PWs) bands (ev): -45.3906 -45.3906 -45.3845 -45.3845 -17.4550 -17.4550 -17.4292 -17.4292 -17.2849 -17.2849 -17.2726 -17.2726 -17.2490 -17.2490 -17.2390 -17.2390 -5.0836 -5.0836 -5.0636 -5.0636 -5.0201 -5.0201 -4.9928 -4.9928 -3.0535 -3.0535 -2.9665 -2.9665 -2.8960 -2.8960 -2.7807 -2.7807 -2.7206 -2.7206 -2.6757 -2.6757 -0.3463 -0.3463 3.3427 3.3427 5.9158 5.9158 7.6489 7.6489 8.2943 8.2943 10.1599 10.1599 10.2748 10.2748 10.7981 10.7981 k = 0.1833 0.1058 0.2994 ( 6471 PWs) bands (ev): -45.3907 -45.3907 -45.3844 -45.3844 -17.4554 -17.4554 -17.4286 -17.4286 -17.2847 -17.2847 -17.2733 -17.2733 -17.2484 -17.2484 -17.2392 -17.2392 -5.0832 -5.0832 -5.0647 -5.0647 -5.0188 -5.0188 -4.9936 -4.9936 -3.0565 -3.0565 -2.9634 -2.9634 -2.8962 -2.8962 -2.7773 -2.7773 -2.7210 -2.7210 -2.6783 -2.6783 -0.4053 -0.4053 3.4448 3.4448 6.0164 6.0164 7.6898 7.6898 8.3066 8.3066 10.1066 10.1066 10.2099 10.2099 10.8178 10.8178 k = 0.1750 0.1010 0.2858 ( 6485 PWs) bands (ev): -45.3908 -45.3908 -45.3843 -45.3843 -17.4557 -17.4557 -17.4280 -17.4280 -17.2846 -17.2846 -17.2740 -17.2740 -17.2479 -17.2479 -17.2394 -17.2394 -5.0828 -5.0828 -5.0657 -5.0657 -5.0176 -5.0176 -4.9944 -4.9944 -3.0597 -3.0597 -2.9601 -2.9601 -2.8964 -2.8964 -2.7743 -2.7743 -2.7218 -2.7218 -2.6803 -2.6803 -0.4625 -0.4625 3.5478 3.5478 6.1206 6.1206 7.7252 7.7252 8.3225 8.3225 10.0530 10.0530 10.1472 10.1472 10.8443 10.8443 k = 0.1667 0.0962 0.2722 ( 6465 PWs) bands (ev): -45.3909 -45.3909 -45.3841 -45.3841 -17.4560 -17.4560 -17.4274 -17.4274 -17.2843 -17.2843 -17.2746 -17.2746 -17.2473 -17.2473 -17.2395 -17.2395 -5.0824 -5.0824 -5.0666 -5.0666 -5.0163 -5.0163 -4.9951 -4.9951 -3.0628 -3.0628 -2.9564 -2.9564 -2.8965 -2.8965 -2.7715 -2.7715 -2.7230 -2.7230 -2.6819 -2.6819 -0.5177 -0.5177 3.6516 3.6516 6.2281 6.2281 7.7549 7.7549 8.3424 8.3424 10.0000 10.0000 10.0867 10.0867 10.8751 10.8751 k = 0.1583 0.0914 0.2586 ( 6479 PWs) bands (ev): -45.3910 -45.3910 -45.3841 -45.3841 -17.4564 -17.4564 -17.4268 -17.4268 -17.2842 -17.2842 -17.2753 -17.2753 -17.2469 -17.2469 -17.2397 -17.2397 -5.0820 -5.0820 -5.0676 -5.0676 -5.0152 -5.0152 -4.9959 -4.9959 -3.0660 -3.0660 -2.9526 -2.9526 -2.8966 -2.8966 -2.7692 -2.7692 -2.7248 -2.7248 -2.6829 -2.6829 -0.5708 -0.5708 3.7557 3.7557 6.3384 6.3384 7.7791 7.7791 8.3667 8.3667 9.9483 9.9483 10.0285 10.0285 10.9076 10.9076 k = 0.1500 0.0866 0.2449 ( 6477 PWs) bands (ev): -45.3911 -45.3911 -45.3840 -45.3840 -17.4567 -17.4567 -17.4263 -17.4263 -17.2840 -17.2840 -17.2759 -17.2759 -17.2464 -17.2464 -17.2399 -17.2399 -5.0815 -5.0815 -5.0684 -5.0684 -5.0142 -5.0142 -4.9966 -4.9966 -3.0691 -3.0691 -2.9486 -2.9486 -2.8966 -2.8966 -2.7671 -2.7671 -2.7269 -2.7269 -2.6833 -2.6833 -0.6216 -0.6216 3.8599 3.8599 6.4513 6.4513 7.7984 7.7984 8.3950 8.3950 9.8984 9.8984 9.9727 9.9727 10.9386 10.9386 k = 0.1417 0.0818 0.2313 ( 6479 PWs) bands (ev): -45.3912 -45.3912 -45.3839 -45.3839 -17.4570 -17.4570 -17.4258 -17.4258 -17.2838 -17.2838 -17.2765 -17.2765 -17.2459 -17.2459 -17.2401 -17.2401 -5.0811 -5.0811 -5.0693 -5.0693 -5.0131 -5.0131 -4.9974 -4.9974 -3.0722 -3.0722 -2.9445 -2.9445 -2.8965 -2.8965 -2.7655 -2.7655 -2.7295 -2.7295 -2.6833 -2.6833 -0.6702 -0.6702 3.9637 3.9637 6.5662 6.5662 7.8141 7.8141 8.4268 8.4268 9.8508 9.8508 9.9195 9.9195 10.9641 10.9641 k = 0.1333 0.0770 0.2177 ( 6481 PWs) bands (ev): -45.3913 -45.3913 -45.3838 -45.3838 -17.4573 -17.4573 -17.4252 -17.4252 -17.2836 -17.2836 -17.2772 -17.2772 -17.2455 -17.2455 -17.2403 -17.2403 -5.0807 -5.0807 -5.0701 -5.0701 -5.0122 -5.0122 -4.9981 -4.9981 -3.0752 -3.0752 -2.9403 -2.9403 -2.8963 -2.8963 -2.7641 -2.7641 -2.7323 -2.7323 -2.6828 -2.6828 -0.7164 -0.7164 4.0667 4.0667 6.6826 6.6826 7.8274 7.8274 8.4615 8.4615 9.8055 9.8055 9.8690 9.8690 10.9792 10.9792 k = 0.1250 0.0722 0.2041 ( 6485 PWs) bands (ev): -45.3913 -45.3913 -45.3837 -45.3837 -17.4576 -17.4576 -17.4247 -17.4247 -17.2835 -17.2835 -17.2777 -17.2777 -17.2451 -17.2451 -17.2405 -17.2405 -5.0803 -5.0803 -5.0708 -5.0708 -5.0113 -5.0113 -4.9988 -4.9988 -3.0782 -3.0782 -2.9359 -2.9359 -2.8961 -2.8961 -2.7631 -2.7631 -2.7353 -2.7353 -2.6820 -2.6820 -0.7601 -0.7601 4.1685 4.1685 6.7997 6.7997 7.8401 7.8401 8.4984 8.4984 9.7626 9.7626 9.8214 9.8214 10.9779 10.9779 k = 0.1167 0.0674 0.1905 ( 6475 PWs) bands (ev): -45.3914 -45.3914 -45.3836 -45.3836 -17.4578 -17.4578 -17.4242 -17.4242 -17.2833 -17.2833 -17.2782 -17.2782 -17.2447 -17.2447 -17.2406 -17.2406 -5.0799 -5.0799 -5.0715 -5.0715 -5.0104 -5.0104 -4.9995 -4.9995 -3.0810 -3.0810 -2.9316 -2.9316 -2.8958 -2.8958 -2.7624 -2.7624 -2.7384 -2.7384 -2.6810 -2.6810 -0.8013 -0.8013 4.2686 4.2686 6.9164 6.9164 7.8539 7.8539 8.5370 8.5370 9.7222 9.7222 9.7770 9.7770 10.9543 10.9543 k = 0.1083 0.0625 0.1769 ( 6479 PWs) bands (ev): -45.3915 -45.3915 -45.3836 -45.3836 -17.4581 -17.4581 -17.4238 -17.4238 -17.2831 -17.2831 -17.2787 -17.2787 -17.2443 -17.2443 -17.2408 -17.2408 -5.0795 -5.0795 -5.0722 -5.0722 -5.0096 -5.0096 -5.0002 -5.0002 -3.0837 -3.0837 -2.9273 -2.9273 -2.8955 -2.8955 -2.7620 -2.7620 -2.7416 -2.7416 -2.6798 -2.6798 -0.8399 -0.8399 4.3662 4.3662 7.0313 7.0313 7.8708 7.8708 8.5768 8.5768 9.6839 9.6839 9.7361 9.7361 10.9045 10.9045 k = 0.1000 0.0577 0.1633 ( 6467 PWs) bands (ev): -45.3916 -45.3916 -45.3835 -45.3835 -17.4583 -17.4583 -17.4233 -17.4233 -17.2829 -17.2829 -17.2791 -17.2791 -17.2440 -17.2440 -17.2409 -17.2409 -5.0790 -5.0790 -5.0728 -5.0728 -5.0089 -5.0089 -5.0008 -5.0008 -3.0863 -3.0863 -2.9230 -2.9230 -2.8951 -2.8951 -2.7619 -2.7619 -2.7448 -2.7448 -2.6785 -2.6785 -0.8758 -0.8758 4.4610 4.4610 7.1422 7.1422 7.8934 7.8934 8.6178 8.6178 9.6472 9.6472 9.6992 9.6992 10.8288 10.8288 k = 0.0917 0.0529 0.1497 ( 6461 PWs) bands (ev): -45.3916 -45.3916 -45.3834 -45.3834 -17.4585 -17.4585 -17.4229 -17.4229 -17.2828 -17.2828 -17.2795 -17.2795 -17.2437 -17.2437 -17.2411 -17.2411 -5.0787 -5.0787 -5.0734 -5.0734 -5.0082 -5.0082 -5.0014 -5.0014 -3.0887 -3.0887 -2.9188 -2.9188 -2.8947 -2.8947 -2.7620 -2.7620 -2.7479 -2.7479 -2.6771 -2.6771 -0.9091 -0.9091 4.5521 4.5521 7.2464 7.2464 7.9245 7.9245 8.6600 8.6600 9.6116 9.6116 9.6670 9.6670 10.7315 10.7315 k = 0.0833 0.0481 0.1361 ( 6475 PWs) bands (ev): -45.3917 -45.3917 -45.3834 -45.3834 -17.4587 -17.4587 -17.4225 -17.4225 -17.2827 -17.2827 -17.2800 -17.2800 -17.2434 -17.2434 -17.2412 -17.2412 -5.0783 -5.0783 -5.0739 -5.0739 -5.0076 -5.0076 -5.0020 -5.0020 -3.0910 -3.0910 -2.9147 -2.9147 -2.8942 -2.8942 -2.7623 -2.7623 -2.7509 -2.7509 -2.6757 -2.6757 -0.9396 -0.9396 4.6388 4.6388 7.3403 7.3403 7.9675 7.9675 8.7033 8.7033 9.5765 9.5765 9.6399 9.6399 10.6188 10.6188 k = 0.0750 0.0433 0.1225 ( 6473 PWs) bands (ev): -45.3917 -45.3917 -45.3833 -45.3833 -17.4589 -17.4589 -17.4222 -17.4222 -17.2826 -17.2826 -17.2804 -17.2804 -17.2431 -17.2431 -17.2414 -17.2414 -5.0780 -5.0780 -5.0744 -5.0744 -5.0071 -5.0071 -5.0025 -5.0025 -3.0930 -3.0930 -2.9108 -2.9108 -2.8938 -2.8938 -2.7627 -2.7627 -2.7537 -2.7537 -2.6744 -2.6744 -0.9673 -0.9673 4.7205 4.7205 7.4207 7.4207 8.0256 8.0256 8.7481 8.7481 9.5415 9.5415 9.6182 9.6182 10.4972 10.4972 k = 0.0667 0.0385 0.1089 ( 6481 PWs) bands (ev): -45.3918 -45.3918 -45.3833 -45.3833 -17.4591 -17.4591 -17.4218 -17.4218 -17.2825 -17.2825 -17.2808 -17.2808 -17.2429 -17.2429 -17.2415 -17.2415 -5.0777 -5.0777 -5.0748 -5.0748 -5.0066 -5.0066 -5.0030 -5.0030 -3.0949 -3.0949 -2.9071 -2.9071 -2.8934 -2.8934 -2.7633 -2.7633 -2.7563 -2.7563 -2.6732 -2.6732 -0.9922 -0.9922 4.7962 4.7962 7.4856 7.4856 8.1001 8.1001 8.7945 8.7945 9.5060 9.5060 9.6022 9.6022 10.3723 10.3723 k = 0.0583 0.0337 0.0953 ( 6469 PWs) bands (ev): -45.3918 -45.3918 -45.3832 -45.3832 -17.4592 -17.4592 -17.4215 -17.4215 -17.2823 -17.2823 -17.2810 -17.2810 -17.2426 -17.2426 -17.2416 -17.2416 -5.0774 -5.0774 -5.0752 -5.0752 -5.0062 -5.0062 -5.0034 -5.0034 -3.0966 -3.0966 -2.9037 -2.9037 -2.8929 -2.8929 -2.7639 -2.7639 -2.7587 -2.7587 -2.6720 -2.6720 -1.0142 -1.0142 4.8654 4.8654 7.5356 7.5356 8.1898 8.1898 8.8425 8.8425 9.4690 9.4690 9.5926 9.5926 10.2487 10.2487 k = 0.0500 0.0289 0.0816 ( 6469 PWs) bands (ev): -45.3919 -45.3919 -45.3832 -45.3832 -17.4594 -17.4594 -17.4213 -17.4213 -17.2822 -17.2822 -17.2813 -17.2813 -17.2424 -17.2424 -17.2416 -17.2416 -5.0771 -5.0771 -5.0755 -5.0755 -5.0059 -5.0059 -5.0037 -5.0037 -3.0981 -3.0981 -2.9006 -2.9006 -2.8925 -2.8925 -2.7646 -2.7646 -2.7608 -2.7608 -2.6710 -2.6710 -1.0333 -1.0333 4.9271 4.9271 7.5729 7.5729 8.2911 8.2911 8.8916 8.8916 9.4292 9.4292 9.5901 9.5901 10.1311 10.1311 k = 0.0417 0.0241 0.0680 ( 6463 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4594 -17.4594 -17.4211 -17.4211 -17.2821 -17.2821 -17.2815 -17.2815 -17.2423 -17.2423 -17.2418 -17.2418 -5.0769 -5.0769 -5.0758 -5.0758 -5.0055 -5.0055 -5.0040 -5.0040 -3.0994 -3.0994 -2.8978 -2.8978 -2.8921 -2.8921 -2.7653 -2.7653 -2.7627 -2.7627 -2.6700 -2.6700 -1.0496 -1.0496 4.9807 4.9807 7.6005 7.6005 8.3999 8.3999 8.9409 8.9409 9.3843 9.3843 9.5963 9.5963 10.0237 10.0237 k = 0.0333 0.0192 0.0544 ( 6453 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4595 -17.4595 -17.4209 -17.4209 -17.2820 -17.2820 -17.2816 -17.2816 -17.2422 -17.2422 -17.2418 -17.2418 -5.0767 -5.0767 -5.0760 -5.0760 -5.0052 -5.0052 -5.0043 -5.0043 -3.1004 -3.1004 -2.8954 -2.8954 -2.8918 -2.8918 -2.7659 -2.7659 -2.7643 -2.7643 -2.6692 -2.6692 -1.0629 -1.0629 5.0256 5.0256 7.6209 7.6209 8.5121 8.5121 8.9882 8.9882 9.3319 9.3319 9.6133 9.6133 9.9311 9.9311 k = 0.0250 0.0144 0.0408 ( 6447 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4595 -17.4595 -17.4208 -17.4208 -17.2819 -17.2819 -17.2817 -17.2817 -17.2421 -17.2421 -17.2419 -17.2419 -5.0766 -5.0766 -5.0762 -5.0762 -5.0050 -5.0050 -5.0044 -5.0044 -3.1012 -3.1012 -2.8935 -2.8935 -2.8915 -2.8915 -2.7664 -2.7664 -2.7656 -2.7656 -2.6686 -2.6686 -1.0732 -1.0732 5.0611 5.0611 7.6355 7.6355 8.6239 8.6239 9.0306 9.0306 9.2700 9.2700 9.6430 9.6430 9.8573 9.8573 k = 0.0167 0.0096 0.0272 ( 6429 PWs) bands (ev): -45.3920 -45.3920 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2817 -17.2817 -17.2420 -17.2420 -17.2419 -17.2419 -5.0765 -5.0765 -5.0763 -5.0763 -5.0048 -5.0048 -5.0046 -5.0046 -3.1018 -3.1018 -2.8921 -2.8921 -2.8912 -2.8912 -2.7668 -2.7668 -2.7664 -2.7664 -2.6681 -2.6681 -1.0806 -1.0806 5.0868 5.0868 7.6454 7.6454 8.7304 8.7304 9.0642 9.0642 9.1998 9.1998 9.6860 9.6860 9.8047 9.8047 k = 0.0083 0.0048 0.0136 ( 6423 PWs) bands (ev): -45.3920 -45.3920 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2818 -17.2818 -17.2419 -17.2419 -17.2419 -17.2419 -5.0764 -5.0764 -5.0764 -5.0764 -5.0047 -5.0047 -5.0046 -5.0046 -3.1022 -3.1022 -2.8913 -2.8913 -2.8911 -2.8911 -2.7671 -2.7671 -2.7670 -2.7670 -2.6678 -2.6678 -1.0851 -1.0851 5.1024 5.1024 7.6512 7.6512 8.8219 8.8219 9.0857 9.0857 9.1299 9.1299 9.7358 9.7358 9.7737 9.7737 k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -45.3920 -45.3920 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2818 -17.2818 -17.2419 -17.2419 -17.2419 -17.2419 -5.0764 -5.0764 -5.0764 -5.0764 -5.0047 -5.0047 -5.0047 -5.0047 -3.1023 -3.1023 -2.8910 -2.8910 -2.8910 -2.8910 -2.7672 -2.7672 -2.7672 -2.7672 -2.6677 -2.6677 -1.0866 -1.0866 5.1076 5.1076 7.6531 7.6531 8.8657 8.8657 9.0932 9.0932 9.0932 9.0932 9.7635 9.7635 9.7635 9.7635 k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -45.3920 -45.3920 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2818 -17.2818 -17.2419 -17.2419 -17.2419 -17.2419 -5.0764 -5.0764 -5.0764 -5.0764 -5.0047 -5.0047 -5.0047 -5.0047 -3.1023 -3.1023 -2.8910 -2.8910 -2.8910 -2.8910 -2.7672 -2.7672 -2.7672 -2.7672 -2.6677 -2.6677 -1.0866 -1.0866 5.1076 5.1076 7.6531 7.6531 8.8657 8.8657 9.0932 9.0932 9.0932 9.0932 9.7635 9.7635 9.7635 9.7635 k = 0.0135 0.0078 0.0055 ( 6423 PWs) bands (ev): -45.3920 -45.3920 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2818 -17.2818 -17.2419 -17.2419 -17.2419 -17.2419 -5.0764 -5.0764 -5.0764 -5.0764 -5.0047 -5.0047 -5.0046 -5.0046 -3.1022 -3.1022 -2.8913 -2.8913 -2.8911 -2.8911 -2.7671 -2.7671 -2.7670 -2.7670 -2.6678 -2.6678 -1.0851 -1.0851 5.1025 5.1025 7.6512 7.6512 8.8224 8.8224 9.0850 9.0850 9.1305 9.1305 9.7367 9.7367 9.7725 9.7725 k = 0.0270 0.0156 0.0110 ( 6423 PWs) bands (ev): -45.3919 -45.3919 -45.3830 -45.3830 -17.4595 -17.4595 -17.4206 -17.4206 -17.2818 -17.2818 -17.2817 -17.2817 -17.2419 -17.2419 -17.2419 -17.2419 -5.0765 -5.0765 -5.0763 -5.0763 -5.0048 -5.0048 -5.0045 -5.0045 -3.1018 -3.1018 -2.8921 -2.8921 -2.8912 -2.8912 -2.7668 -2.7668 -2.7664 -2.7664 -2.6681 -2.6681 -1.0807 -1.0807 5.0871 5.0871 7.6456 7.6456 8.7315 8.7315 9.0617 9.0617 9.2039 9.2039 9.6885 9.6885 9.7982 9.7982 k = 0.0405 0.0234 0.0166 ( 6438 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4595 -17.4595 -17.4207 -17.4207 -17.2819 -17.2819 -17.2817 -17.2817 -17.2421 -17.2421 -17.2418 -17.2418 -5.0766 -5.0766 -5.0762 -5.0762 -5.0050 -5.0050 -5.0044 -5.0044 -3.1012 -3.1012 -2.8935 -2.8935 -2.8914 -2.8914 -2.7664 -2.7664 -2.7656 -2.7656 -2.6686 -2.6686 -1.0734 -1.0734 5.0617 5.0617 7.6361 7.6361 8.6248 8.6248 9.0264 9.0264 9.2822 9.2822 9.6479 9.6479 9.8375 9.8375 k = 0.0541 0.0312 0.0221 ( 6456 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4595 -17.4595 -17.4209 -17.4209 -17.2820 -17.2820 -17.2816 -17.2816 -17.2422 -17.2422 -17.2418 -17.2418 -5.0768 -5.0768 -5.0760 -5.0760 -5.0053 -5.0053 -5.0042 -5.0042 -3.1005 -3.1005 -2.8954 -2.8954 -2.8917 -2.8917 -2.7659 -2.7659 -2.7644 -2.7644 -2.6692 -2.6692 -1.0632 -1.0632 5.0265 5.0265 7.6226 7.6226 8.5121 8.5121 8.9825 8.9825 9.3552 9.3552 9.6257 9.6257 9.8865 9.8865 k = 0.0676 0.0390 0.0276 ( 6456 PWs) bands (ev): -45.3919 -45.3919 -45.3831 -45.3831 -17.4594 -17.4594 -17.4210 -17.4210 -17.2821 -17.2821 -17.2815 -17.2815 -17.2423 -17.2423 -17.2417 -17.2417 -5.0770 -5.0770 -5.0757 -5.0757 -5.0056 -5.0056 -5.0039 -5.0039 -3.0994 -3.0994 -2.8977 -2.8977 -2.8921 -2.8921 -2.7651 -2.7651 -2.7629 -2.7629 -2.6700 -2.6700 -1.0501 -1.0501 4.9819 4.9819 7.6051 7.6051 8.3975 8.3975 8.9330 8.9330 9.4154 9.4154 9.6295 9.6295 9.9422 9.9422 k = 0.0811 0.0468 0.0331 ( 6462 PWs) bands (ev): -45.3919 -45.3919 -45.3832 -45.3832 -17.4593 -17.4593 -17.4213 -17.4213 -17.2822 -17.2822 -17.2812 -17.2812 -17.2425 -17.2425 -17.2416 -17.2416 -5.0772 -5.0772 -5.0754 -5.0754 -5.0059 -5.0059 -5.0036 -5.0036 -3.0982 -3.0982 -2.9004 -2.9004 -2.8925 -2.8925 -2.7643 -2.7643 -2.7612 -2.7612 -2.6710 -2.6710 -1.0341 -1.0341 4.9283 4.9283 7.5833 7.5833 8.2835 8.2835 8.8800 8.8800 9.4567 9.4567 9.6647 9.6647 10.0019 10.0019 k = 0.0946 0.0546 0.0386 ( 6474 PWs) bands (ev): -45.3918 -45.3918 -45.3832 -45.3832 -17.4593 -17.4593 -17.4215 -17.4215 -17.2824 -17.2824 -17.2809 -17.2809 -17.2427 -17.2427 -17.2415 -17.2415 -5.0775 -5.0775 -5.0750 -5.0750 -5.0063 -5.0063 -5.0033 -5.0033 -3.0967 -3.0967 -2.9035 -2.9035 -2.8930 -2.8930 -2.7633 -2.7633 -2.7594 -2.7594 -2.6721 -2.6721 -1.0152 -1.0152 4.8662 4.8662 7.5574 7.5574 8.1720 8.1720 8.8251 8.8251 9.4843 9.4843 9.7256 9.7256 10.0636 10.0636 k = 0.1081 0.0624 0.0441 ( 6474 PWs) bands (ev): -45.3918 -45.3918 -45.3833 -45.3833 -17.4591 -17.4591 -17.4218 -17.4218 -17.2826 -17.2826 -17.2806 -17.2806 -17.2429 -17.2429 -17.2414 -17.2414 -5.0778 -5.0778 -5.0746 -5.0746 -5.0068 -5.0068 -5.0028 -5.0028 -3.0951 -3.0951 -2.9069 -2.9069 -2.8935 -2.8935 -2.7621 -2.7621 -2.7574 -2.7574 -2.6733 -2.6733 -0.9935 -0.9935 4.7963 4.7963 7.5273 7.5273 8.0645 8.0645 8.7693 8.7693 9.5084 9.5084 9.8010 9.8010 10.1255 10.1255 k = 0.1216 0.0702 0.0497 ( 6477 PWs) bands (ev): -45.3917 -45.3917 -45.3833 -45.3833 -17.4590 -17.4590 -17.4221 -17.4221 -17.2827 -17.2827 -17.2802 -17.2802 -17.2432 -17.2432 -17.2413 -17.2413 -5.0782 -5.0782 -5.0742 -5.0742 -5.0073 -5.0073 -5.0024 -5.0024 -3.0932 -3.0932 -2.9105 -2.9105 -2.8940 -2.8940 -2.7609 -2.7609 -2.7553 -2.7553 -2.6746 -2.6746 -0.9690 -0.9690 4.7191 4.7191 7.4929 7.4929 7.9621 7.9621 8.7135 8.7135 9.5347 9.5347 9.8836 9.8836 10.1861 10.1861 k = 0.1351 0.0780 0.0552 ( 6474 PWs) bands (ev): -45.3917 -45.3917 -45.3834 -45.3834 -17.4588 -17.4588 -17.4225 -17.4225 -17.2829 -17.2829 -17.2798 -17.2798 -17.2435 -17.2435 -17.2411 -17.2411 -5.0786 -5.0786 -5.0737 -5.0737 -5.0078 -5.0078 -5.0018 -5.0018 -3.0912 -3.0912 -2.9143 -2.9143 -2.8946 -2.8946 -2.7595 -2.7595 -2.7531 -2.7531 -2.6761 -2.6761 -0.9417 -0.9417 4.6353 4.6353 7.4544 7.4544 7.8658 7.8658 8.6581 8.6581 9.5651 9.5651 9.9705 9.9705 10.2440 10.2440 k = 0.1486 0.0858 0.0607 ( 6486 PWs) bands (ev): -45.3916 -45.3916 -45.3834 -45.3834 -17.4586 -17.4586 -17.4229 -17.4229 -17.2830 -17.2830 -17.2794 -17.2794 -17.2439 -17.2439 -17.2410 -17.2410 -5.0790 -5.0790 -5.0731 -5.0731 -5.0084 -5.0084 -5.0013 -5.0013 -3.0891 -3.0891 -2.9182 -2.9182 -2.8952 -2.8952 -2.7581 -2.7581 -2.7509 -2.7509 -2.6778 -2.6778 -0.9117 -0.9117 4.5454 4.5454 7.4117 7.4117 7.7764 7.7764 8.6035 8.6035 9.5995 9.5995 10.0602 10.0602 10.2977 10.2977 k = 0.1622 0.0936 0.0662 ( 6480 PWs) bands (ev): -45.3916 -45.3916 -45.3835 -45.3835 -17.4583 -17.4583 -17.4233 -17.4233 -17.2832 -17.2832 -17.2789 -17.2789 -17.2442 -17.2442 -17.2408 -17.2408 -5.0794 -5.0794 -5.0725 -5.0725 -5.0091 -5.0091 -5.0007 -5.0007 -3.0867 -3.0867 -2.9223 -2.9223 -2.8958 -2.8958 -2.7566 -2.7566 -2.7487 -2.7487 -2.6795 -2.6795 -0.8790 -0.8790 4.4501 4.4501 7.3651 7.3651 7.6943 7.6943 8.5501 8.5501 9.6369 9.6369 10.1521 10.1521 10.3459 10.3459 k = 0.1757 0.1014 0.0717 ( 6474 PWs) bands (ev): -45.3915 -45.3915 -45.3835 -45.3835 -17.4581 -17.4581 -17.4237 -17.4237 -17.2833 -17.2833 -17.2784 -17.2784 -17.2445 -17.2445 -17.2406 -17.2406 -5.0798 -5.0798 -5.0719 -5.0719 -5.0098 -5.0098 -5.0001 -5.0001 -3.0842 -3.0842 -2.9265 -2.9265 -2.8965 -2.8965 -2.7550 -2.7550 -2.7465 -2.7465 -2.6813 -2.6813 -0.8437 -0.8437 4.3502 4.3502 7.3148 7.3148 7.6197 7.6197 8.4980 8.4980 9.6761 9.6761 10.2457 10.2457 10.3875 10.3875 k = 0.1892 0.1092 0.0772 ( 6486 PWs) bands (ev): -45.3914 -45.3914 -45.3836 -45.3836 -17.4579 -17.4579 -17.4242 -17.4242 -17.2835 -17.2835 -17.2780 -17.2780 -17.2449 -17.2449 -17.2405 -17.2405 -5.0802 -5.0802 -5.0712 -5.0712 -5.0106 -5.0106 -4.9995 -4.9995 -3.0816 -3.0816 -2.9308 -2.9308 -2.8972 -2.8972 -2.7533 -2.7533 -2.7443 -2.7443 -2.6832 -2.6832 -0.8057 -0.8057 4.2462 4.2462 7.2616 7.2616 7.5525 7.5525 8.4474 8.4474 9.7159 9.7159 10.3406 10.3406 10.4214 10.4214 k = 0.2027 0.1170 0.0828 ( 6489 PWs) bands (ev): -45.3914 -45.3914 -45.3837 -45.3837 -17.4577 -17.4577 -17.4247 -17.4247 -17.2837 -17.2837 -17.2774 -17.2774 -17.2454 -17.2454 -17.2403 -17.2403 -5.0806 -5.0806 -5.0705 -5.0705 -5.0114 -5.0114 -4.9988 -4.9988 -3.0789 -3.0789 -2.9351 -2.9351 -2.8979 -2.8979 -2.7517 -2.7517 -2.7423 -2.7423 -2.6851 -2.6851 -0.7653 -0.7653 4.1388 4.1388 7.2065 7.2065 7.4919 7.4919 8.3985 8.3985 9.7549 9.7549 10.4365 10.4365 10.4470 10.4470 k = 0.2162 0.1248 0.0883 ( 6498 PWs) bands (ev): -45.3913 -45.3913 -45.3838 -45.3838 -17.4574 -17.4574 -17.4252 -17.4252 -17.2839 -17.2839 -17.2769 -17.2769 -17.2458 -17.2458 -17.2401 -17.2401 -5.0811 -5.0811 -5.0697 -5.0697 -5.0122 -5.0122 -4.9982 -4.9982 -3.0762 -3.0762 -2.9393 -2.9393 -2.8986 -2.8986 -2.7500 -2.7500 -2.7403 -2.7403 -2.6871 -2.6871 -0.7225 -0.7225 4.0286 4.0286 7.1505 7.1505 7.4370 7.4370 8.3514 8.3514 9.7918 9.7918 10.4641 10.4641 10.5328 10.5328 k = 0.2297 0.1326 0.0938 ( 6495 PWs) bands (ev): -45.3912 -45.3912 -45.3839 -45.3839 -17.4571 -17.4571 -17.4257 -17.4257 -17.2841 -17.2841 -17.2762 -17.2762 -17.2463 -17.2463 -17.2399 -17.2399 -5.0815 -5.0815 -5.0689 -5.0689 -5.0131 -5.0131 -4.9975 -4.9975 -3.0733 -3.0733 -2.9435 -2.9435 -2.8993 -2.8993 -2.7482 -2.7482 -2.7384 -2.7384 -2.6891 -2.6891 -0.6774 -0.6774 3.9162 3.9162 7.0949 7.0949 7.3869 7.3869 8.3061 8.3061 9.8257 9.8257 10.4729 10.4729 10.6288 10.6288 k = 0.2432 0.1404 0.0993 ( 6486 PWs) bands (ev): -45.3911 -45.3911 -45.3839 -45.3839 -17.4568 -17.4568 -17.4262 -17.4262 -17.2844 -17.2844 -17.2756 -17.2756 -17.2467 -17.2467 -17.2397 -17.2397 -5.0819 -5.0819 -5.0680 -5.0680 -5.0140 -5.0140 -4.9969 -4.9969 -3.0704 -3.0704 -2.9477 -2.9477 -2.8999 -2.8999 -2.7465 -2.7465 -2.7366 -2.7366 -2.6912 -2.6912 -0.6300 -0.6300 3.8023 3.8023 7.0406 7.0406 7.3408 7.3408 8.2628 8.2628 9.8557 9.8557 10.4742 10.4742 10.7230 10.7230 k = 0.2568 0.1482 0.1048 ( 6477 PWs) bands (ev): -45.3910 -45.3910 -45.3840 -45.3840 -17.4565 -17.4565 -17.4267 -17.4267 -17.2845 -17.2845 -17.2749 -17.2749 -17.2472 -17.2472 -17.2395 -17.2395 -5.0823 -5.0823 -5.0672 -5.0672 -5.0148 -5.0148 -4.9963 -4.9963 -3.0674 -3.0674 -2.9518 -2.9518 -2.9006 -2.9006 -2.7447 -2.7447 -2.7349 -2.7349 -2.6932 -2.6932 -0.5806 -0.5806 3.6874 3.6874 6.9881 6.9881 7.2981 7.2981 8.2215 8.2215 9.8813 9.8813 10.4690 10.4690 10.8137 10.8137 k = 0.2703 0.1560 0.1103 ( 6471 PWs) bands (ev): -45.3909 -45.3909 -45.3841 -45.3841 -17.4562 -17.4562 -17.4272 -17.4272 -17.2847 -17.2847 -17.2743 -17.2743 -17.2477 -17.2477 -17.2393 -17.2393 -5.0827 -5.0827 -5.0663 -5.0663 -5.0158 -5.0158 -4.9956 -4.9956 -3.0645 -3.0645 -2.9558 -2.9558 -2.9012 -2.9012 -2.7430 -2.7430 -2.7333 -2.7333 -2.6952 -2.6952 -0.5293 -0.5293 3.5721 3.5721 6.9382 6.9382 7.2582 7.2582 8.1822 8.1822 9.9024 9.9024 10.4582 10.4582 10.8981 10.8981 k = 0.2838 0.1638 0.1159 ( 6477 PWs) bands (ev): -45.3908 -45.3908 -45.3842 -45.3842 -17.4559 -17.4559 -17.4278 -17.4278 -17.2849 -17.2849 -17.2736 -17.2736 -17.2482 -17.2482 -17.2392 -17.2392 -5.0831 -5.0831 -5.0654 -5.0654 -5.0168 -5.0168 -4.9950 -4.9950 -3.0615 -3.0615 -2.9597 -2.9597 -2.9018 -2.9018 -2.7413 -2.7413 -2.7319 -2.7319 -2.6972 -2.6972 -0.4762 -0.4762 3.4570 3.4570 6.8910 6.8910 7.2209 7.2209 8.1450 8.1450 9.9188 9.9188 10.4432 10.4432 10.9726 10.9726 k = 0.2973 0.1716 0.1214 ( 6465 PWs) bands (ev): -45.3907 -45.3907 -45.3843 -45.3843 -17.4555 -17.4555 -17.4282 -17.4282 -17.2851 -17.2851 -17.2729 -17.2729 -17.2487 -17.2487 -17.2389 -17.2389 -5.0835 -5.0835 -5.0644 -5.0644 -5.0178 -5.0178 -4.9944 -4.9944 -3.0586 -3.0586 -2.9634 -2.9634 -2.9024 -2.9024 -2.7397 -2.7397 -2.7305 -2.7305 -2.6991 -2.6991 -0.4216 -0.4216 3.3426 3.3426 6.8467 6.8467 7.1861 7.1861 8.1099 8.1099 9.9310 9.9310 10.4250 10.4250 11.0336 11.0336 k = 0.3108 0.1794 0.1269 ( 6465 PWs) bands (ev): -45.3906 -45.3906 -45.3844 -45.3844 -17.4552 -17.4552 -17.4288 -17.4288 -17.2852 -17.2852 -17.2722 -17.2722 -17.2493 -17.2493 -17.2388 -17.2388 -5.0838 -5.0838 -5.0635 -5.0635 -5.0188 -5.0188 -4.9939 -4.9939 -3.0557 -3.0557 -2.9670 -2.9670 -2.9029 -2.9029 -2.7381 -2.7381 -2.7293 -2.7293 -2.7010 -2.7010 -0.3657 -0.3657 3.2294 3.2294 6.8055 6.8055 7.1535 7.1535 8.0770 8.0770 9.9392 9.9392 10.4046 10.4046 11.0783 11.0783 k = 0.3243 0.1872 0.1324 ( 6477 PWs) bands (ev): -45.3905 -45.3905 -45.3845 -45.3845 -17.4550 -17.4550 -17.4293 -17.4293 -17.2854 -17.2854 -17.2716 -17.2716 -17.2499 -17.2499 -17.2386 -17.2386 -5.0841 -5.0841 -5.0625 -5.0625 -5.0198 -5.0198 -4.9933 -4.9933 -3.0529 -3.0529 -2.9705 -2.9705 -2.9035 -2.9035 -2.7366 -2.7366 -2.7283 -2.7283 -2.7028 -2.7028 -0.3088 -0.3088 3.1182 3.1182 6.7673 6.7673 7.1232 7.1232 8.0462 8.0462 9.9440 9.9440 10.3830 10.3830 11.1066 11.1066 k = 0.3378 0.1951 0.1379 ( 6477 PWs) bands (ev): -45.3905 -45.3905 -45.3846 -45.3846 -17.4546 -17.4546 -17.4298 -17.4298 -17.2856 -17.2856 -17.2709 -17.2709 -17.2504 -17.2504 -17.2384 -17.2384 -5.0845 -5.0845 -5.0616 -5.0616 -5.0208 -5.0208 -4.9928 -4.9928 -3.0502 -3.0502 -2.9738 -2.9738 -2.9040 -2.9040 -2.7351 -2.7351 -2.7274 -2.7274 -2.7044 -2.7044 -0.2513 -0.2513 3.0094 3.0094 6.7323 6.7323 7.0951 7.0951 8.0177 8.0177 9.9460 9.9460 10.3608 10.3608 11.1208 11.1208 k = 0.3514 0.2029 0.1434 ( 6477 PWs) bands (ev): -45.3904 -45.3904 -45.3847 -45.3847 -17.4543 -17.4543 -17.4303 -17.4303 -17.2857 -17.2857 -17.2702 -17.2702 -17.2510 -17.2510 -17.2383 -17.2383 -5.0848 -5.0848 -5.0607 -5.0607 -5.0219 -5.0219 -4.9924 -4.9924 -3.0475 -3.0475 -2.9768 -2.9768 -2.9045 -2.9045 -2.7338 -2.7338 -2.7267 -2.7267 -2.7059 -2.7059 -0.1935 -0.1935 2.9038 2.9038 6.7002 6.7002 7.0691 7.0691 7.9914 7.9914 9.9457 9.9457 10.3387 10.3387 11.1244 11.1244 k = 0.3649 0.2107 0.1490 ( 6480 PWs) bands (ev): -45.3903 -45.3903 -45.3848 -45.3848 -17.4540 -17.4540 -17.4308 -17.4308 -17.2859 -17.2859 -17.2696 -17.2696 -17.2516 -17.2516 -17.2381 -17.2381 -5.0850 -5.0850 -5.0597 -5.0597 -5.0229 -5.0229 -4.9919 -4.9919 -3.0450 -3.0450 -2.9797 -2.9797 -2.9049 -2.9049 -2.7325 -2.7325 -2.7261 -2.7261 -2.7073 -2.7073 -0.1361 -0.1361 2.8020 2.8020 6.6712 6.6712 7.0454 7.0454 7.9673 7.9673 9.9437 9.9437 10.3172 10.3172 11.1209 11.1209 k = 0.3784 0.2185 0.1545 ( 6474 PWs) bands (ev): -45.3902 -45.3902 -45.3849 -45.3849 -17.4537 -17.4537 -17.4312 -17.4312 -17.2860 -17.2860 -17.2689 -17.2689 -17.2522 -17.2522 -17.2380 -17.2380 -5.0853 -5.0853 -5.0588 -5.0588 -5.0238 -5.0238 -4.9915 -4.9915 -3.0426 -3.0426 -2.9824 -2.9824 -2.9053 -2.9053 -2.7313 -2.7313 -2.7257 -2.7257 -2.7085 -2.7085 -0.0795 -0.0795 2.7048 2.7048 6.6451 6.6451 7.0238 7.0238 7.9455 7.9455 9.9405 9.9405 10.2968 10.2968 11.1130 11.1130 k = 0.3919 0.2263 0.1600 ( 6480 PWs) bands (ev): -45.3901 -45.3901 -45.3849 -45.3849 -17.4535 -17.4535 -17.4316 -17.4316 -17.2862 -17.2862 -17.2682 -17.2682 -17.2528 -17.2528 -17.2379 -17.2379 -5.0855 -5.0855 -5.0580 -5.0580 -5.0247 -5.0247 -4.9912 -4.9912 -3.0405 -3.0405 -2.9848 -2.9848 -2.9057 -2.9057 -2.7302 -2.7302 -2.7254 -2.7254 -2.7095 -2.7095 -0.0245 -0.0245 2.6130 2.6130 6.6219 6.6219 7.0045 7.0045 7.9259 7.9259 9.9365 9.9365 10.2778 10.2778 11.1028 11.1028 k = 0.4054 0.2341 0.1655 ( 6481 PWs) bands (ev): -45.3900 -45.3900 -45.3850 -45.3850 -17.4532 -17.4532 -17.4320 -17.4320 -17.2863 -17.2863 -17.2675 -17.2675 -17.2533 -17.2533 -17.2378 -17.2378 -5.0857 -5.0857 -5.0571 -5.0571 -5.0256 -5.0256 -4.9908 -4.9908 -3.0384 -3.0384 -2.9870 -2.9870 -2.9060 -2.9060 -2.7293 -2.7293 -2.7253 -2.7253 -2.7103 -2.7103 0.0280 0.0280 2.5278 2.5278 6.6016 6.6016 6.9873 6.9873 7.9087 7.9087 9.9321 9.9321 10.2604 10.2604 11.0917 11.0917 k = 0.4189 0.2419 0.1710 ( 6481 PWs) bands (ev): -45.3900 -45.3900 -45.3851 -45.3851 -17.4530 -17.4530 -17.4324 -17.4324 -17.2864 -17.2864 -17.2669 -17.2669 -17.2539 -17.2539 -17.2377 -17.2377 -5.0859 -5.0859 -5.0564 -5.0564 -5.0264 -5.0264 -4.9905 -4.9905 -3.0366 -3.0366 -2.9890 -2.9890 -2.9063 -2.9063 -2.7284 -2.7284 -2.7253 -2.7253 -2.7109 -2.7109 0.0772 0.0772 2.4501 2.4501 6.5840 6.5840 6.9725 6.9725 7.8937 7.8937 9.9276 9.9276 10.2449 10.2449 11.0806 11.0806 k = 0.4324 0.2497 0.1765 ( 6484 PWs) bands (ev): -45.3899 -45.3899 -45.3851 -45.3851 -17.4528 -17.4528 -17.4327 -17.4327 -17.2865 -17.2865 -17.2664 -17.2664 -17.2544 -17.2544 -17.2376 -17.2376 -5.0860 -5.0860 -5.0557 -5.0557 -5.0272 -5.0272 -4.9903 -4.9903 -3.0350 -3.0350 -2.9907 -2.9907 -2.9065 -2.9065 -2.7277 -2.7277 -2.7254 -2.7254 -2.7114 -2.7114 0.1219 0.1219 2.3811 2.3811 6.5693 6.5693 6.9598 6.9598 7.8810 7.8810 9.9234 9.9234 10.2315 10.2315 11.0704 11.0704 k = 0.4459 0.2575 0.1821 ( 6484 PWs) bands (ev): -45.3899 -45.3899 -45.3852 -45.3852 -17.4526 -17.4526 -17.4330 -17.4330 -17.2865 -17.2865 -17.2659 -17.2659 -17.2548 -17.2548 -17.2376 -17.2376 -5.0862 -5.0862 -5.0551 -5.0551 -5.0278 -5.0278 -4.9901 -4.9901 -3.0336 -3.0336 -2.9921 -2.9921 -2.9067 -2.9067 -2.7271 -2.7271 -2.7255 -2.7255 -2.7118 -2.7118 0.1608 0.1608 2.3221 2.3221 6.5573 6.5573 6.9495 6.9495 7.8706 7.8706 9.9196 9.9196 10.2204 10.2204 11.0615 11.0615 k = 0.4595 0.2653 0.1876 ( 6487 PWs) bands (ev): -45.3898 -45.3898 -45.3852 -45.3852 -17.4525 -17.4525 -17.4332 -17.4332 -17.2866 -17.2866 -17.2655 -17.2655 -17.2552 -17.2552 -17.2375 -17.2375 -5.0863 -5.0863 -5.0546 -5.0546 -5.0283 -5.0283 -4.9899 -4.9899 -3.0326 -3.0326 -2.9933 -2.9933 -2.9068 -2.9068 -2.7267 -2.7267 -2.7257 -2.7257 -2.7120 -2.7120 0.1929 0.1929 2.2744 2.2744 6.5480 6.5480 6.9414 6.9414 7.8625 7.8625 9.9165 9.9165 10.2117 10.2117 11.0543 11.0543 k = 0.4730 0.2731 0.1931 ( 6475 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4523 -17.4523 -17.4333 -17.4333 -17.2866 -17.2866 -17.2651 -17.2651 -17.2555 -17.2555 -17.2375 -17.2375 -5.0863 -5.0863 -5.0542 -5.0542 -5.0287 -5.0287 -4.9898 -4.9898 -3.0318 -3.0318 -2.9941 -2.9941 -2.9069 -2.9069 -2.7263 -2.7263 -2.7258 -2.7258 -2.7121 -2.7121 0.2168 0.2168 2.2393 2.2393 6.5413 6.5413 6.9357 6.9357 7.8567 7.8567 9.9142 9.9142 10.2053 10.2053 11.0490 11.0490 k = 0.4865 0.2809 0.1986 ( 6478 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2650 -17.2650 -17.2556 -17.2556 -17.2375 -17.2375 -5.0864 -5.0864 -5.0539 -5.0539 -5.0289 -5.0289 -4.9897 -4.9897 -3.0313 -3.0313 -2.9946 -2.9946 -2.9071 -2.9071 -2.7261 -2.7261 -2.7258 -2.7258 -2.7122 -2.7122 0.2316 0.2316 2.2178 2.2178 6.5374 6.5374 6.9322 6.9322 7.8533 7.8533 9.9128 9.9128 10.2015 10.2015 11.0458 11.0458 k = 0.5000 0.2887 0.2041 ( 6478 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2649 -17.2649 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0539 -5.0539 -5.0290 -5.0290 -4.9897 -4.9897 -3.0311 -3.0311 -2.9948 -2.9948 -2.9071 -2.9071 -2.7260 -2.7260 -2.7259 -2.7259 -2.7123 -2.7123 0.2366 0.2366 2.2105 2.2105 6.5360 6.5360 6.9311 6.9311 7.8521 7.8521 9.9123 9.9123 10.2003 10.2003 11.0447 11.0447 k = 0.5000 0.2887 0.2041 ( 6478 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2649 -17.2649 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0539 -5.0539 -5.0290 -5.0290 -4.9897 -4.9897 -3.0311 -3.0311 -2.9948 -2.9948 -2.9071 -2.9071 -2.7260 -2.7260 -2.7259 -2.7259 -2.7123 -2.7123 0.2366 0.2366 2.2105 2.2105 6.5360 6.5360 6.9311 6.9311 7.8521 7.8521 9.9123 9.9123 10.2003 10.2003 11.0447 11.0447 k = 0.5048 0.2748 0.2120 ( 6476 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2649 -17.2649 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0538 -5.0538 -5.0291 -5.0291 -4.9897 -4.9897 -3.0311 -3.0311 -2.9947 -2.9947 -2.9070 -2.9070 -2.7286 -2.7286 -2.7259 -2.7259 -2.7097 -2.7097 0.2379 0.2379 2.2103 2.2103 6.5109 6.5109 6.9486 6.9486 7.8554 7.8554 9.9119 9.9119 10.1951 10.1951 11.0643 11.0643 k = 0.5096 0.2609 0.2198 ( 6474 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2648 -17.2648 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0538 -5.0538 -5.0292 -5.0292 -4.9896 -4.9896 -3.0312 -3.0312 -2.9943 -2.9943 -2.9069 -2.9069 -2.7340 -2.7340 -2.7260 -2.7260 -2.7046 -2.7046 0.2420 0.2420 2.2096 2.2096 6.4468 6.4468 6.9893 6.9893 7.8656 7.8656 9.9084 9.9084 10.1847 10.1847 11.1199 11.1199 k = 0.5144 0.2470 0.2277 ( 6482 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4522 -17.4522 -17.4336 -17.4336 -17.2866 -17.2866 -17.2647 -17.2647 -17.2558 -17.2558 -17.2375 -17.2375 -5.0864 -5.0864 -5.0537 -5.0537 -5.0294 -5.0294 -4.9895 -4.9895 -3.0313 -3.0313 -2.9937 -2.9937 -2.9068 -2.9068 -2.7402 -2.7402 -2.7261 -2.7261 -2.6990 -2.6990 0.2487 0.2487 2.2083 2.2083 6.3615 6.3615 7.0345 7.0345 7.8837 7.8837 9.8970 9.8970 10.1813 10.1813 11.2044 11.2044 k = 0.5192 0.2332 0.2355 ( 6482 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4521 -17.4521 -17.4337 -17.4337 -17.2866 -17.2866 -17.2646 -17.2646 -17.2559 -17.2559 -17.2375 -17.2375 -5.0864 -5.0864 -5.0535 -5.0535 -5.0298 -5.0298 -4.9894 -4.9894 -3.0313 -3.0313 -2.9928 -2.9928 -2.9066 -2.9066 -2.7466 -2.7466 -2.7262 -2.7262 -2.6932 -2.6932 0.2580 0.2580 2.2064 2.2064 6.2659 6.2659 7.0725 7.0725 7.9105 7.9105 9.8744 9.8744 10.1952 10.1952 11.3107 11.3107 k = 0.5240 0.2193 0.2434 ( 6482 PWs) bands (ev): -45.3897 -45.3897 -45.3854 -45.3854 -17.4520 -17.4520 -17.4338 -17.4338 -17.2866 -17.2866 -17.2646 -17.2646 -17.2560 -17.2560 -17.2375 -17.2375 -5.0864 -5.0864 -5.0533 -5.0533 -5.0302 -5.0302 -4.9892 -4.9892 -3.0315 -3.0315 -2.9918 -2.9918 -2.9063 -2.9063 -2.7532 -2.7532 -2.7264 -2.7264 -2.6876 -2.6876 0.2701 0.2701 2.2037 2.2037 6.1654 6.1654 7.0979 7.0979 7.9456 7.9456 9.8442 9.8442 10.2288 10.2288 11.4330 11.4330 k = 0.5288 0.2054 0.2512 ( 6469 PWs) bands (ev): -45.3896 -45.3896 -45.3854 -45.3854 -17.4518 -17.4518 -17.4339 -17.4339 -17.2866 -17.2866 -17.2644 -17.2644 -17.2561 -17.2561 -17.2374 -17.2374 -5.0864 -5.0864 -5.0530 -5.0530 -5.0307 -5.0307 -4.9889 -4.9889 -3.0316 -3.0316 -2.9904 -2.9904 -2.9059 -2.9059 -2.7599 -2.7599 -2.7266 -2.7266 -2.6820 -2.6820 0.2848 0.2848 2.2001 2.2001 6.0631 6.0631 7.1089 7.1089 7.9870 7.9870 9.8132 9.8132 10.2793 10.2793 11.5672 11.5672 k = 0.5337 0.1915 0.2591 ( 6473 PWs) bands (ev): -45.3896 -45.3896 -45.3854 -45.3854 -17.4517 -17.4517 -17.4341 -17.4341 -17.2866 -17.2866 -17.2643 -17.2643 -17.2562 -17.2562 -17.2374 -17.2374 -5.0864 -5.0864 -5.0527 -5.0527 -5.0312 -5.0312 -4.9887 -4.9887 -3.0317 -3.0317 -2.9889 -2.9889 -2.9056 -2.9056 -2.7665 -2.7665 -2.7268 -2.7268 -2.6766 -2.6766 0.3021 0.3021 2.1953 2.1953 5.9611 5.9611 7.1064 7.1064 8.0314 8.0314 9.7882 9.7882 10.3434 10.3434 11.7102 11.7102 k = 0.5385 0.1776 0.2669 ( 6475 PWs) bands (ev): -45.3896 -45.3896 -45.3855 -45.3855 -17.4516 -17.4516 -17.4343 -17.4343 -17.2865 -17.2865 -17.2641 -17.2641 -17.2564 -17.2564 -17.2374 -17.2374 -5.0864 -5.0864 -5.0524 -5.0524 -5.0318 -5.0318 -4.9885 -4.9885 -3.0319 -3.0319 -2.9872 -2.9872 -2.9052 -2.9052 -2.7732 -2.7732 -2.7270 -2.7270 -2.6714 -2.6714 0.3221 0.3221 2.1890 2.1890 5.8606 5.8606 7.0924 7.0924 8.0744 8.0744 9.7743 9.7743 10.4181 10.4181 11.8591 11.8591 k = 0.5433 0.1638 0.2748 ( 6477 PWs) bands (ev): -45.3895 -45.3895 -45.3855 -45.3855 -17.4514 -17.4514 -17.4346 -17.4346 -17.2865 -17.2865 -17.2639 -17.2639 -17.2565 -17.2565 -17.2374 -17.2374 -5.0864 -5.0864 -5.0520 -5.0520 -5.0325 -5.0325 -4.9882 -4.9882 -3.0321 -3.0321 -2.9853 -2.9853 -2.9048 -2.9048 -2.7799 -2.7799 -2.7272 -2.7272 -2.6664 -2.6664 0.3448 0.3448 2.1811 2.1811 5.7630 5.7630 7.0692 7.0692 8.1120 8.1120 9.7752 9.7752 10.5015 10.5015 12.0084 12.0084 k = 0.5481 0.1499 0.2826 ( 6481 PWs) bands (ev): -45.3895 -45.3895 -45.3856 -45.3856 -17.4512 -17.4512 -17.4349 -17.4349 -17.2865 -17.2865 -17.2638 -17.2638 -17.2567 -17.2567 -17.2375 -17.2375 -5.0864 -5.0864 -5.0517 -5.0517 -5.0331 -5.0331 -4.9880 -4.9880 -3.0322 -3.0322 -2.9833 -2.9833 -2.9043 -2.9043 -2.7865 -2.7865 -2.7274 -2.7274 -2.6617 -2.6617 0.3700 0.3700 2.1711 2.1711 5.6690 5.6690 7.0392 7.0392 8.1408 8.1408 9.7929 9.7929 10.5920 10.5920 12.1242 12.1242 k = 0.5529 0.1360 0.2905 ( 6481 PWs) bands (ev): -45.3894 -45.3894 -45.3856 -45.3856 -17.4510 -17.4510 -17.4351 -17.4351 -17.2864 -17.2864 -17.2636 -17.2636 -17.2568 -17.2568 -17.2375 -17.2375 -5.0863 -5.0863 -5.0513 -5.0513 -5.0338 -5.0338 -4.9877 -4.9877 -3.0324 -3.0324 -2.9810 -2.9810 -2.9039 -2.9039 -2.7930 -2.7930 -2.7276 -2.7276 -2.6573 -2.6573 0.3978 0.3978 2.1589 2.1589 5.5795 5.5795 7.0040 7.0040 8.1592 8.1592 9.8283 9.8283 10.6880 10.6880 12.0733 12.0733 k = 0.5577 0.1221 0.2983 ( 6486 PWs) bands (ev): -45.3893 -45.3893 -45.3857 -45.3857 -17.4508 -17.4508 -17.4355 -17.4355 -17.2864 -17.2864 -17.2635 -17.2635 -17.2570 -17.2570 -17.2375 -17.2375 -5.0863 -5.0863 -5.0510 -5.0510 -5.0344 -5.0344 -4.9875 -4.9875 -3.0326 -3.0326 -2.9787 -2.9787 -2.9035 -2.9035 -2.7994 -2.7994 -2.7277 -2.7277 -2.6530 -2.6530 0.4281 0.4281 2.1440 2.1440 5.4952 5.4952 6.9653 6.9653 8.1664 8.1664 9.8803 9.8803 10.7878 10.7878 11.9614 11.9614 k = 0.5625 0.1083 0.3062 ( 6483 PWs) bands (ev): -45.3893 -45.3893 -45.3858 -45.3858 -17.4505 -17.4505 -17.4358 -17.4358 -17.2863 -17.2863 -17.2633 -17.2633 -17.2571 -17.2571 -17.2375 -17.2375 -5.0863 -5.0863 -5.0507 -5.0507 -5.0350 -5.0350 -4.9873 -4.9873 -3.0327 -3.0327 -2.9762 -2.9762 -2.9030 -2.9030 -2.8057 -2.8057 -2.7278 -2.7278 -2.6491 -2.6491 0.4609 0.4609 2.1261 2.1261 5.4168 5.4168 6.9242 6.9242 8.1634 8.1634 9.9466 9.9466 10.8895 10.8895 11.8486 11.8486 k = 0.5673 0.0944 0.3140 ( 6475 PWs) bands (ev): -45.3892 -45.3892 -45.3858 -45.3858 -17.4503 -17.4503 -17.4361 -17.4361 -17.2862 -17.2862 -17.2632 -17.2632 -17.2572 -17.2572 -17.2375 -17.2375 -5.0862 -5.0862 -5.0504 -5.0504 -5.0356 -5.0356 -4.9871 -4.9871 -3.0328 -3.0328 -2.9736 -2.9736 -2.9026 -2.9026 -2.8118 -2.8118 -2.7279 -2.7279 -2.6455 -2.6455 0.4962 0.4962 2.1050 2.1050 5.3449 5.3449 6.8817 6.8817 8.1516 8.1516 10.0236 10.0236 10.9896 10.9896 11.7450 11.7450 k = 0.5721 0.0805 0.3219 ( 6479 PWs) bands (ev): -45.3891 -45.3891 -45.3859 -45.3859 -17.4500 -17.4500 -17.4365 -17.4365 -17.2862 -17.2862 -17.2632 -17.2632 -17.2572 -17.2572 -17.2376 -17.2376 -5.0861 -5.0861 -5.0502 -5.0502 -5.0360 -5.0360 -4.9870 -4.9870 -3.0329 -3.0329 -2.9709 -2.9709 -2.9023 -2.9023 -2.8178 -2.8178 -2.7279 -2.7279 -2.6421 -2.6421 0.5338 0.5338 2.0804 2.0804 5.2799 5.2799 6.8387 6.8387 8.1329 8.1329 10.1065 10.1065 11.0817 11.0817 11.6599 11.6599 k = 0.5769 0.0666 0.3297 ( 6485 PWs) bands (ev): -45.3890 -45.3890 -45.3860 -45.3860 -17.4497 -17.4497 -17.4369 -17.4369 -17.2861 -17.2861 -17.2632 -17.2632 -17.2572 -17.2572 -17.2376 -17.2376 -5.0860 -5.0860 -5.0502 -5.0502 -5.0364 -5.0364 -4.9869 -4.9869 -3.0330 -3.0330 -2.9682 -2.9682 -2.9020 -2.9020 -2.8235 -2.8235 -2.7278 -2.7278 -2.6391 -2.6391 0.5736 0.5736 2.0521 2.0521 5.2224 5.2224 6.7956 6.7956 8.1092 8.1092 10.1888 10.1888 11.1541 11.1541 11.6090 11.6090 k = 0.5817 0.0527 0.3376 ( 6495 PWs) bands (ev): -45.3889 -45.3889 -45.3861 -45.3861 -17.4494 -17.4494 -17.4373 -17.4373 -17.2860 -17.2860 -17.2633 -17.2633 -17.2572 -17.2572 -17.2377 -17.2377 -5.0860 -5.0860 -5.0502 -5.0502 -5.0366 -5.0366 -4.9868 -4.9868 -3.0330 -3.0330 -2.9655 -2.9655 -2.9017 -2.9017 -2.8291 -2.8291 -2.7277 -2.7277 -2.6364 -2.6364 0.6156 0.6156 2.0200 2.0200 5.1727 5.1727 6.7531 6.7531 8.0822 8.0822 10.2621 10.2621 11.1931 11.1931 11.6117 11.6117 k = 0.5865 0.0389 0.3454 ( 6502 PWs) bands (ev): -45.3889 -45.3889 -45.3862 -45.3862 -17.4491 -17.4491 -17.4377 -17.4377 -17.2860 -17.2860 -17.2634 -17.2634 -17.2571 -17.2571 -17.2377 -17.2377 -5.0859 -5.0859 -5.0504 -5.0504 -5.0366 -5.0366 -4.9868 -4.9868 -3.0330 -3.0330 -2.9628 -2.9628 -2.9016 -2.9016 -2.8344 -2.8344 -2.7274 -2.7274 -2.6341 -2.6341 0.6594 0.6594 1.9842 1.9842 5.1310 5.1310 6.7114 6.7114 8.0534 8.0534 10.3153 10.3153 11.2067 11.2067 11.6680 11.6680 k = 0.5913 0.0250 0.3533 ( 6495 PWs) bands (ev): -45.3888 -45.3888 -45.3863 -45.3863 -17.4488 -17.4488 -17.4381 -17.4381 -17.2859 -17.2859 -17.2636 -17.2636 -17.2569 -17.2569 -17.2378 -17.2378 -5.0857 -5.0857 -5.0506 -5.0506 -5.0365 -5.0365 -4.9869 -4.9869 -3.0329 -3.0329 -2.9602 -2.9602 -2.9014 -2.9014 -2.8393 -2.8393 -2.7270 -2.7270 -2.6320 -2.6320 0.7049 0.7049 1.9449 1.9449 5.0975 5.0975 6.6711 6.6711 8.0239 8.0239 10.3372 10.3372 11.2249 11.2249 11.7562 11.7562 k = 0.5962 0.0111 0.3611 ( 6505 PWs) bands (ev): -45.3887 -45.3887 -45.3864 -45.3864 -17.4485 -17.4485 -17.4385 -17.4385 -17.2858 -17.2858 -17.2638 -17.2638 -17.2567 -17.2567 -17.2378 -17.2378 -5.0856 -5.0856 -5.0510 -5.0510 -5.0362 -5.0362 -4.9870 -4.9870 -3.0328 -3.0328 -2.9578 -2.9578 -2.9013 -2.9013 -2.8440 -2.8440 -2.7266 -2.7266 -2.6302 -2.6302 0.7518 0.7518 1.9024 1.9024 5.0723 5.0723 6.6324 6.6324 7.9945 7.9945 10.3222 10.3222 11.2683 11.2683 11.8572 11.8572 k = 0.6010-0.0028 0.3690 ( 6510 PWs) bands (ev): -45.3886 -45.3886 -45.3865 -45.3865 -17.4481 -17.4481 -17.4389 -17.4389 -17.2857 -17.2857 -17.2641 -17.2641 -17.2564 -17.2564 -17.2379 -17.2379 -5.0854 -5.0854 -5.0516 -5.0516 -5.0358 -5.0358 -4.9871 -4.9871 -3.0326 -3.0326 -2.9555 -2.9555 -2.9013 -2.9013 -2.8482 -2.8482 -2.7260 -2.7260 -2.6288 -2.6288 0.7995 0.7995 1.8573 1.8573 5.0554 5.0554 6.5955 6.5955 7.9662 7.9662 10.2739 10.2739 11.3393 11.3393 11.9605 11.9605 k = 0.6058-0.0167 0.3768 ( 6510 PWs) bands (ev): -45.3885 -45.3885 -45.3866 -45.3866 -17.4478 -17.4478 -17.4393 -17.4393 -17.2856 -17.2856 -17.2644 -17.2644 -17.2561 -17.2561 -17.2380 -17.2380 -5.0853 -5.0853 -5.0522 -5.0522 -5.0352 -5.0352 -4.9873 -4.9873 -3.0323 -3.0323 -2.9536 -2.9536 -2.9014 -2.9014 -2.8520 -2.8520 -2.7253 -2.7253 -2.6278 -2.6278 0.8472 0.8472 1.8105 1.8105 5.0464 5.0464 6.5606 6.5606 7.9395 7.9395 10.2015 10.2015 11.4299 11.4299 12.0590 12.0590 k = 0.6106-0.0305 0.3847 ( 6508 PWs) bands (ev): -45.3884 -45.3884 -45.3867 -45.3867 -17.4475 -17.4475 -17.4397 -17.4397 -17.2854 -17.2854 -17.2648 -17.2648 -17.2557 -17.2557 -17.2381 -17.2381 -5.0851 -5.0851 -5.0528 -5.0528 -5.0346 -5.0346 -4.9875 -4.9875 -3.0320 -3.0320 -2.9520 -2.9520 -2.9015 -2.9015 -2.8552 -2.8552 -2.7245 -2.7245 -2.6270 -2.6270 0.8939 0.8939 1.7634 1.7634 5.0454 5.0454 6.5280 6.5280 7.9147 7.9147 10.1136 10.1136 11.5300 11.5300 12.1481 12.1481 k = 0.6154-0.0444 0.3925 ( 6503 PWs) bands (ev): -45.3883 -45.3883 -45.3867 -45.3867 -17.4471 -17.4471 -17.4400 -17.4400 -17.2853 -17.2853 -17.2652 -17.2652 -17.2553 -17.2553 -17.2382 -17.2382 -5.0849 -5.0849 -5.0535 -5.0535 -5.0338 -5.0338 -4.9877 -4.9877 -3.0315 -3.0315 -2.9509 -2.9509 -2.9016 -2.9016 -2.8579 -2.8579 -2.7236 -2.7236 -2.6265 -2.6265 0.9380 0.9380 1.7178 1.7178 5.0518 5.0518 6.4978 6.4978 7.8923 7.8923 10.0165 10.0165 11.6297 11.6297 12.2259 12.2259 k = 0.6202-0.0583 0.4004 ( 6509 PWs) bands (ev): -45.3883 -45.3883 -45.3868 -45.3868 -17.4469 -17.4469 -17.4404 -17.4404 -17.2852 -17.2852 -17.2657 -17.2657 -17.2549 -17.2549 -17.2383 -17.2383 -5.0847 -5.0847 -5.0543 -5.0543 -5.0330 -5.0330 -4.9880 -4.9880 -3.0310 -3.0310 -2.9502 -2.9502 -2.9018 -2.9018 -2.8598 -2.8598 -2.7226 -2.7226 -2.6264 -2.6264 0.9769 0.9769 1.6768 1.6768 5.0655 5.0655 6.4700 6.4700 7.8725 7.8725 9.9143 9.9143 11.7199 11.7199 12.2947 12.2947 k = 0.6250-0.0722 0.4082 ( 6511 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4467 -17.4467 -17.4406 -17.4406 -17.2850 -17.2850 -17.2661 -17.2661 -17.2545 -17.2545 -17.2384 -17.2384 -5.0844 -5.0844 -5.0551 -5.0551 -5.0322 -5.0322 -4.9884 -4.9884 -3.0304 -3.0304 -2.9501 -2.9501 -2.9022 -2.9022 -2.8611 -2.8611 -2.7215 -2.7215 -2.6266 -2.6266 1.0069 1.0069 1.6441 1.6441 5.0860 5.0860 6.4450 6.4450 7.8556 7.8556 9.8096 9.8096 11.7928 11.7928 12.3602 12.3602 k = 0.6250-0.0722 0.4082 ( 6511 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4467 -17.4467 -17.4406 -17.4406 -17.2850 -17.2850 -17.2661 -17.2661 -17.2545 -17.2545 -17.2384 -17.2384 -5.0844 -5.0844 -5.0551 -5.0551 -5.0322 -5.0322 -4.9884 -4.9884 -3.0304 -3.0304 -2.9501 -2.9501 -2.9022 -2.9022 -2.8611 -2.8611 -2.7215 -2.7215 -2.6266 -2.6266 1.0069 1.0069 1.6441 1.6441 5.0860 5.0860 6.4450 6.4450 7.8556 7.8556 9.8096 9.8096 11.7928 11.7928 12.3602 12.3602 k = 0.6167-0.0674 0.4219 ( 6508 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4466 -17.4466 -17.4406 -17.4406 -17.2850 -17.2850 -17.2661 -17.2661 -17.2545 -17.2545 -17.2384 -17.2384 -5.0844 -5.0844 -5.0551 -5.0551 -5.0322 -5.0322 -4.9884 -4.9884 -3.0304 -3.0304 -2.9499 -2.9499 -2.9022 -2.9022 -2.8611 -2.8611 -2.7217 -2.7217 -2.6264 -2.6264 1.0084 1.0084 1.6429 1.6429 5.0873 5.0873 6.4307 6.4307 7.8749 7.8749 9.8102 9.8102 11.7797 11.7797 12.3201 12.3201 k = 0.6083-0.0625 0.4355 ( 6508 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4466 -17.4466 -17.4406 -17.4406 -17.2850 -17.2850 -17.2660 -17.2660 -17.2545 -17.2545 -17.2384 -17.2384 -5.0845 -5.0845 -5.0550 -5.0550 -5.0324 -5.0324 -4.9883 -4.9883 -3.0306 -3.0306 -2.9495 -2.9495 -2.9023 -2.9023 -2.8612 -2.8612 -2.7221 -2.7221 -2.6260 -2.6260 1.0129 1.0129 1.6394 1.6394 5.0912 5.0912 6.3902 6.3902 7.9303 7.9303 9.8121 9.8121 11.7419 11.7419 12.2224 12.2224 k = 0.6000-0.0577 0.4491 ( 6508 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4466 -17.4466 -17.4407 -17.4407 -17.2851 -17.2851 -17.2659 -17.2659 -17.2547 -17.2547 -17.2383 -17.2383 -5.0845 -5.0845 -5.0548 -5.0548 -5.0326 -5.0326 -4.9882 -4.9882 -3.0308 -3.0308 -2.9489 -2.9489 -2.9024 -2.9024 -2.8613 -2.8613 -2.7229 -2.7229 -2.6254 -2.6254 1.0203 1.0203 1.6336 1.6336 5.0976 5.0976 6.3292 6.3292 8.0161 8.0161 9.8153 9.8153 11.6831 11.6831 12.0982 12.0982 k = 0.5917-0.0529 0.4627 ( 6514 PWs) bands (ev): -45.3881 -45.3881 -45.3869 -45.3869 -17.4465 -17.4465 -17.4408 -17.4408 -17.2851 -17.2851 -17.2657 -17.2657 -17.2548 -17.2548 -17.2383 -17.2383 -5.0845 -5.0845 -5.0545 -5.0545 -5.0330 -5.0330 -4.9880 -4.9880 -3.0310 -3.0310 -2.9480 -2.9480 -2.9026 -2.9026 -2.8616 -2.8616 -2.7239 -2.7239 -2.6246 -2.6246 1.0306 1.0306 1.6253 1.6253 5.1065 5.1065 6.2545 6.2545 8.1254 8.1254 9.8196 9.8196 11.6082 11.6082 11.9637 11.9637 k = 0.5833-0.0481 0.4763 ( 6516 PWs) bands (ev): -45.3881 -45.3881 -45.3870 -45.3870 -17.4464 -17.4464 -17.4409 -17.4409 -17.2852 -17.2852 -17.2655 -17.2655 -17.2551 -17.2551 -17.2383 -17.2383 -5.0846 -5.0846 -5.0542 -5.0542 -5.0334 -5.0334 -4.9879 -4.9879 -3.0314 -3.0314 -2.9469 -2.9469 -2.9029 -2.9029 -2.8618 -2.8618 -2.7251 -2.7251 -2.6237 -2.6237 1.0439 1.0439 1.6146 1.6146 5.1179 5.1179 6.1719 6.1719 8.2521 8.2521 9.8250 9.8250 11.5216 11.5216 11.8259 11.8259 k = 0.5750-0.0433 0.4899 ( 6509 PWs) bands (ev): -45.3881 -45.3881 -45.3870 -45.3870 -17.4463 -17.4463 -17.4410 -17.4410 -17.2852 -17.2852 -17.2652 -17.2652 -17.2553 -17.2553 -17.2382 -17.2382 -5.0847 -5.0847 -5.0538 -5.0538 -5.0339 -5.0339 -4.9876 -4.9876 -3.0317 -3.0317 -2.9455 -2.9455 -2.9033 -2.9033 -2.8621 -2.8621 -2.7264 -2.7264 -2.6226 -2.6226 1.0601 1.0601 1.6011 1.6011 5.1314 5.1314 6.0860 6.0860 8.3913 8.3913 9.8314 9.8314 11.4275 11.4275 11.6883 11.6883 k = 0.5667-0.0385 0.5035 ( 6515 PWs) bands (ev): -45.3880 -45.3880 -45.3870 -45.3870 -17.4462 -17.4462 -17.4411 -17.4411 -17.2853 -17.2853 -17.2649 -17.2649 -17.2556 -17.2556 -17.2382 -17.2382 -5.0847 -5.0847 -5.0534 -5.0534 -5.0345 -5.0345 -4.9874 -4.9874 -3.0321 -3.0321 -2.9441 -2.9441 -2.9038 -2.9038 -2.8625 -2.8625 -2.7278 -2.7278 -2.6215 -2.6215 1.0793 1.0793 1.5850 1.5850 5.1471 5.1471 6.0003 6.0003 8.5389 8.5389 9.8388 9.8388 11.3292 11.3292 11.5529 11.5529 k = 0.5583-0.0337 0.5171 ( 6521 PWs) bands (ev): -45.3880 -45.3880 -45.3871 -45.3871 -17.4461 -17.4461 -17.4413 -17.4413 -17.2854 -17.2854 -17.2646 -17.2646 -17.2559 -17.2559 -17.2382 -17.2382 -5.0848 -5.0848 -5.0530 -5.0530 -5.0351 -5.0351 -4.9872 -4.9872 -3.0325 -3.0325 -2.9425 -2.9425 -2.9043 -2.9043 -2.8629 -2.8629 -2.7292 -2.7292 -2.6204 -2.6204 1.1014 1.1014 1.5659 1.5659 5.1645 5.1645 5.9172 5.9172 8.6912 8.6912 9.8475 9.8475 11.2293 11.2293 11.4215 11.4215 k = 0.5500-0.0289 0.5307 ( 6517 PWs) bands (ev): -45.3880 -45.3880 -45.3871 -45.3871 -17.4459 -17.4459 -17.4414 -17.4414 -17.2854 -17.2854 -17.2642 -17.2642 -17.2563 -17.2563 -17.2381 -17.2381 -5.0849 -5.0849 -5.0525 -5.0525 -5.0357 -5.0357 -4.9870 -4.9870 -3.0329 -3.0329 -2.9407 -2.9407 -2.9049 -2.9049 -2.8633 -2.8633 -2.7305 -2.7305 -2.6193 -2.6193 1.1264 1.1264 1.5439 1.5439 5.1833 5.1833 5.8390 5.8390 8.8444 8.8444 9.8577 9.8577 11.1302 11.1302 11.2955 11.2955 k = 0.5417-0.0241 0.5443 ( 6521 PWs) bands (ev): -45.3879 -45.3879 -45.3872 -45.3872 -17.4458 -17.4458 -17.4416 -17.4416 -17.2855 -17.2855 -17.2639 -17.2639 -17.2566 -17.2566 -17.2381 -17.2381 -5.0849 -5.0849 -5.0520 -5.0520 -5.0363 -5.0363 -4.9868 -4.9868 -3.0333 -3.0333 -2.9390 -2.9390 -2.9056 -2.9056 -2.8638 -2.8638 -2.7317 -2.7317 -2.6183 -2.6183 1.1543 1.1543 1.5188 1.5188 5.2029 5.2029 5.7676 5.7676 8.9939 8.9939 9.8707 9.8707 11.0338 11.0338 11.1770 11.1770 k = 0.5333-0.0192 0.5579 ( 6523 PWs) bands (ev): -45.3878 -45.3878 -45.3872 -45.3872 -17.4457 -17.4457 -17.4418 -17.4418 -17.2855 -17.2855 -17.2635 -17.2635 -17.2570 -17.2570 -17.2380 -17.2380 -5.0850 -5.0850 -5.0515 -5.0515 -5.0369 -5.0369 -4.9866 -4.9866 -3.0336 -3.0336 -2.9373 -2.9373 -2.9063 -2.9063 -2.8642 -2.8642 -2.7327 -2.7327 -2.6174 -2.6174 1.1850 1.1850 1.4904 1.4904 5.2222 5.2222 5.7046 5.7046 9.1330 9.1330 9.8885 9.8885 10.9423 10.9423 11.0686 11.0686 k = 0.5250-0.0144 0.5715 ( 6531 PWs) bands (ev): -45.3878 -45.3878 -45.3873 -45.3873 -17.4455 -17.4455 -17.4420 -17.4420 -17.2856 -17.2856 -17.2632 -17.2632 -17.2573 -17.2573 -17.2380 -17.2380 -5.0851 -5.0851 -5.0511 -5.0511 -5.0375 -5.0375 -4.9865 -4.9865 -3.0339 -3.0339 -2.9358 -2.9358 -2.9070 -2.9070 -2.8646 -2.8646 -2.7336 -2.7336 -2.6167 -2.6167 1.2184 1.2184 1.4589 1.4589 5.2401 5.2401 5.6522 5.6522 9.2526 9.2526 9.9140 9.9140 10.8591 10.8591 10.9732 10.9732 k = 0.5167-0.0096 0.5852 ( 6536 PWs) bands (ev): -45.3877 -45.3877 -45.3874 -45.3874 -17.4454 -17.4454 -17.4421 -17.4421 -17.2856 -17.2856 -17.2629 -17.2629 -17.2576 -17.2576 -17.2380 -17.2380 -5.0851 -5.0851 -5.0507 -5.0507 -5.0379 -5.0379 -4.9864 -4.9864 -3.0341 -3.0341 -2.9346 -2.9346 -2.9076 -2.9076 -2.8650 -2.8650 -2.7342 -2.7342 -2.6162 -2.6162 1.2543 1.2543 1.4245 1.4245 5.2546 5.2546 5.6127 5.6127 9.3421 9.3421 9.9481 9.9481 10.7911 10.7911 10.8937 10.8937 k = 0.5083-0.0048 0.5988 ( 6544 PWs) bands (ev): -45.3876 -45.3876 -45.3875 -45.3875 -17.4454 -17.4454 -17.4422 -17.4422 -17.2857 -17.2857 -17.2627 -17.2627 -17.2578 -17.2578 -17.2380 -17.2380 -5.0852 -5.0852 -5.0505 -5.0505 -5.0382 -5.0382 -4.9863 -4.9863 -3.0343 -3.0343 -2.9337 -2.9337 -2.9080 -2.9080 -2.8652 -2.8652 -2.7346 -2.7346 -2.6159 -2.6159 1.2912 1.2912 1.3884 1.3884 5.2639 5.2639 5.5883 5.5883 9.3942 9.3942 9.9831 9.9831 10.7506 10.7506 10.8328 10.8328 k = 0.5000-0.0000 0.6124 ( 6588 PWs) bands (ev): -45.3876 -45.3876 -45.3876 -45.3876 -17.4454 -17.4454 -17.4423 -17.4423 -17.2858 -17.2858 -17.2628 -17.2628 -17.2580 -17.2580 -17.2381 -17.2381 -5.0853 -5.0853 -5.0505 -5.0505 -5.0384 -5.0384 -4.9864 -4.9864 -3.0344 -3.0344 -2.9335 -2.9335 -2.9082 -2.9082 -2.8654 -2.8654 -2.7348 -2.7348 -2.6158 -2.6158 1.3164 1.3164 1.3635 1.3635 5.2669 5.2669 5.5802 5.5802 9.4102 9.4102 9.9994 9.9994 10.7444 10.7444 10.8021 10.8021 k = 0.5000-0.0000 0.6124 ( 6588 PWs) bands (ev): -45.3876 -45.3876 -45.3876 -45.3876 -17.4454 -17.4454 -17.4423 -17.4423 -17.2858 -17.2858 -17.2628 -17.2628 -17.2580 -17.2580 -17.2381 -17.2381 -5.0853 -5.0853 -5.0505 -5.0505 -5.0384 -5.0384 -4.9864 -4.9864 -3.0344 -3.0344 -2.9335 -2.9335 -2.9082 -2.9082 -2.8654 -2.8654 -2.7348 -2.7348 -2.6158 -2.6158 1.3164 1.3164 1.3635 1.3635 5.2669 5.2669 5.5802 5.5802 9.4102 9.4102 9.9994 9.9994 10.7444 10.7444 10.8021 10.8021 k = 0.5000 0.0096 0.5988 ( 6544 PWs) bands (ev): -45.3877 -45.3877 -45.3874 -45.3874 -17.4454 -17.4454 -17.4422 -17.4422 -17.2857 -17.2857 -17.2626 -17.2626 -17.2579 -17.2579 -17.2380 -17.2380 -5.0852 -5.0852 -5.0504 -5.0504 -5.0384 -5.0384 -4.9863 -4.9863 -3.0343 -3.0343 -2.9338 -2.9338 -2.9079 -2.9079 -2.8651 -2.8651 -2.7347 -2.7347 -2.6159 -2.6159 1.2734 1.2734 1.4065 1.4065 5.2591 5.2591 5.5929 5.5929 9.4012 9.4012 10.0024 10.0024 10.7109 10.7109 10.8459 10.8459 k = 0.5000 0.0192 0.5852 ( 6540 PWs) bands (ev): -45.3878 -45.3878 -45.3873 -45.3873 -17.4456 -17.4456 -17.4419 -17.4419 -17.2857 -17.2857 -17.2626 -17.2626 -17.2579 -17.2579 -17.2380 -17.2380 -5.0852 -5.0852 -5.0503 -5.0503 -5.0384 -5.0384 -4.9863 -4.9863 -3.0343 -3.0343 -2.9349 -2.9349 -2.9073 -2.9073 -2.8645 -2.8645 -2.7346 -2.7346 -2.6162 -2.6162 1.2136 1.2136 1.4664 1.4664 5.2393 5.2393 5.6276 5.6276 9.3759 9.3759 10.0090 10.0090 10.6719 10.6719 10.9166 10.9166 k = 0.5000 0.0289 0.5715 ( 6538 PWs) bands (ev): -45.3879 -45.3879 -45.3872 -45.3872 -17.4459 -17.4459 -17.4416 -17.4416 -17.2857 -17.2857 -17.2626 -17.2626 -17.2579 -17.2579 -17.2380 -17.2380 -5.0852 -5.0852 -5.0502 -5.0502 -5.0384 -5.0384 -4.9863 -4.9863 -3.0343 -3.0343 -2.9366 -2.9366 -2.9064 -2.9064 -2.8633 -2.8633 -2.7345 -2.7345 -2.6167 -2.6167 1.1529 1.1529 1.5269 1.5269 5.2139 5.2139 5.6778 5.6778 9.3373 9.3373 10.0138 10.0138 10.6490 10.6490 10.9948 10.9948 k = 0.5000 0.0385 0.5579 ( 6534 PWs) bands (ev): -45.3880 -45.3880 -45.3871 -45.3871 -17.4462 -17.4462 -17.4412 -17.4412 -17.2857 -17.2857 -17.2625 -17.2625 -17.2580 -17.2580 -17.2379 -17.2379 -5.0853 -5.0853 -5.0501 -5.0501 -5.0385 -5.0385 -4.9863 -4.9863 -3.0343 -3.0343 -2.9387 -2.9387 -2.9054 -2.9054 -2.8617 -2.8617 -2.7343 -2.7343 -2.6175 -2.6175 1.0928 1.0928 1.5868 1.5868 5.1882 5.1882 5.7383 5.7383 9.2891 9.2891 10.0107 10.0107 10.6470 10.6470 11.0774 11.0774 k = 0.5000 0.0481 0.5443 ( 6528 PWs) bands (ev): -45.3881 -45.3881 -45.3870 -45.3870 -17.4466 -17.4466 -17.4408 -17.4408 -17.2857 -17.2857 -17.2625 -17.2625 -17.2580 -17.2580 -17.2379 -17.2379 -5.0854 -5.0854 -5.0499 -5.0499 -5.0386 -5.0386 -4.9862 -4.9862 -3.0342 -3.0342 -2.9412 -2.9412 -2.9045 -2.9045 -2.8597 -2.8597 -2.7340 -2.7340 -2.6184 -2.6184 1.0336 1.0336 1.6455 1.6455 5.1651 5.1651 5.8061 5.8061 9.2344 9.2344 9.9966 9.9966 10.6672 10.6672 11.1627 11.1627 k = 0.5000 0.0577 0.5307 ( 6512 PWs) bands (ev): -45.3882 -45.3882 -45.3868 -45.3868 -17.4469 -17.4469 -17.4404 -17.4404 -17.2857 -17.2857 -17.2624 -17.2624 -17.2580 -17.2580 -17.2379 -17.2379 -5.0854 -5.0854 -5.0497 -5.0497 -5.0386 -5.0386 -4.9862 -4.9862 -3.0341 -3.0341 -2.9438 -2.9438 -2.9035 -2.9035 -2.8572 -2.8572 -2.7337 -2.7337 -2.6196 -2.6196 0.9756 0.9756 1.7024 1.7024 5.1467 5.1468 5.8793 5.8793 9.1755 9.1755 9.9719 9.9719 10.7075 10.7075 11.2491 11.2491 k = 0.5000 0.0674 0.5171 ( 6520 PWs) bands (ev): -45.3883 -45.3883 -45.3867 -45.3867 -17.4473 -17.4473 -17.4399 -17.4399 -17.2858 -17.2858 -17.2624 -17.2624 -17.2580 -17.2580 -17.2379 -17.2379 -5.0855 -5.0855 -5.0496 -5.0496 -5.0386 -5.0386 -4.9862 -4.9862 -3.0341 -3.0341 -2.9467 -2.9467 -2.9028 -2.9028 -2.8542 -2.8542 -2.7334 -2.7334 -2.6210 -2.6210 0.9191 0.9191 1.7572 1.7572 5.1342 5.1342 5.9565 5.9565 9.1137 9.1137 9.9395 9.9395 10.7638 10.7638 11.3349 11.3349 k = 0.5000 0.0770 0.5035 ( 6514 PWs) bands (ev): -45.3884 -45.3884 -45.3866 -45.3866 -17.4477 -17.4477 -17.4395 -17.4395 -17.2859 -17.2859 -17.2624 -17.2624 -17.2580 -17.2580 -17.2378 -17.2378 -5.0856 -5.0856 -5.0494 -5.0494 -5.0386 -5.0386 -4.9863 -4.9863 -3.0340 -3.0340 -2.9496 -2.9496 -2.9022 -2.9022 -2.8508 -2.8508 -2.7330 -2.7330 -2.6227 -2.6227 0.8641 0.8641 1.8094 1.8094 5.1285 5.1285 6.0369 6.0369 9.0503 9.0503 9.9025 9.9025 10.8318 10.8318 11.4179 11.4179 k = 0.5000 0.0866 0.4899 ( 6508 PWs) bands (ev): -45.3885 -45.3885 -45.3865 -45.3865 -17.4480 -17.4480 -17.4390 -17.4390 -17.2859 -17.2859 -17.2624 -17.2624 -17.2580 -17.2580 -17.2378 -17.2378 -5.0857 -5.0857 -5.0493 -5.0493 -5.0386 -5.0386 -4.9863 -4.9863 -3.0339 -3.0339 -2.9526 -2.9526 -2.9018 -2.9018 -2.8470 -2.8470 -2.7326 -2.7326 -2.6246 -2.6246 0.8109 0.8109 1.8588 1.8588 5.1301 5.1301 6.1197 6.1197 8.9857 8.9857 9.8638 9.8638 10.9076 10.9076 11.4951 11.4951 k = 0.5000 0.0962 0.4763 ( 6498 PWs) bands (ev): -45.3887 -45.3887 -45.3864 -45.3864 -17.4484 -17.4484 -17.4386 -17.4386 -17.2859 -17.2859 -17.2624 -17.2624 -17.2580 -17.2580 -17.2377 -17.2377 -5.0858 -5.0858 -5.0492 -5.0492 -5.0384 -5.0384 -4.9863 -4.9863 -3.0338 -3.0338 -2.9557 -2.9557 -2.9016 -2.9016 -2.8427 -2.8427 -2.7322 -2.7322 -2.6267 -2.6267 0.7596 0.7596 1.9049 1.9049 5.1395 5.1395 6.2043 6.2043 8.9205 8.9205 9.8253 9.8253 10.9873 10.9873 11.5624 11.5624 k = 0.5000 0.1058 0.4627 ( 6498 PWs) bands (ev): -45.3887 -45.3887 -45.3863 -45.3863 -17.4487 -17.4487 -17.4381 -17.4381 -17.2860 -17.2860 -17.2625 -17.2625 -17.2579 -17.2579 -17.2377 -17.2377 -5.0859 -5.0859 -5.0492 -5.0492 -5.0382 -5.0382 -4.9864 -4.9864 -3.0337 -3.0337 -2.9587 -2.9587 -2.9015 -2.9015 -2.8382 -2.8382 -2.7317 -2.7317 -2.6290 -2.6290 0.7103 0.7103 1.9477 1.9477 5.1571 5.1571 6.2900 6.2900 8.8548 8.8548 9.7887 9.7887 11.0668 11.0668 11.6149 11.6149 k = 0.5000 0.1155 0.4491 ( 6502 PWs) bands (ev): -45.3888 -45.3888 -45.3862 -45.3862 -17.4491 -17.4491 -17.4377 -17.4377 -17.2861 -17.2861 -17.2625 -17.2625 -17.2579 -17.2579 -17.2377 -17.2377 -5.0860 -5.0860 -5.0493 -5.0493 -5.0379 -5.0379 -4.9865 -4.9865 -3.0336 -3.0336 -2.9618 -2.9618 -2.9015 -2.9015 -2.8334 -2.8334 -2.7313 -2.7313 -2.6317 -2.6317 0.6631 0.6631 1.9867 1.9867 5.1831 5.1831 6.3761 6.3761 8.7888 8.7888 9.7550 9.7550 11.1392 11.1392 11.6489 11.6489 k = 0.5000 0.1251 0.4355 ( 6506 PWs) bands (ev): -45.3889 -45.3889 -45.3861 -45.3861 -17.4494 -17.4494 -17.4373 -17.4373 -17.2862 -17.2862 -17.2627 -17.2627 -17.2578 -17.2578 -17.2376 -17.2376 -5.0860 -5.0860 -5.0495 -5.0495 -5.0375 -5.0375 -4.9866 -4.9866 -3.0335 -3.0335 -2.9648 -2.9648 -2.9017 -2.9017 -2.8282 -2.8282 -2.7308 -2.7308 -2.6345 -2.6345 0.6181 0.6181 2.0221 2.0221 5.2175 5.2175 6.4619 6.4619 8.7225 8.7225 9.7252 9.7252 11.1925 11.1925 11.6687 11.6687 k = 0.5000 0.1347 0.4219 ( 6506 PWs) bands (ev): -45.3890 -45.3890 -45.3860 -45.3860 -17.4497 -17.4497 -17.4369 -17.4369 -17.2862 -17.2862 -17.2628 -17.2628 -17.2577 -17.2577 -17.2376 -17.2376 -5.0861 -5.0861 -5.0497 -5.0497 -5.0371 -5.0371 -4.9867 -4.9867 -3.0333 -3.0333 -2.9677 -2.9677 -2.9019 -2.9019 -2.8228 -2.8228 -2.7304 -2.7304 -2.6376 -2.6376 0.5754 0.5754 2.0537 2.0537 5.2602 5.2602 6.5468 6.5468 8.6558 8.6558 9.7000 9.7000 11.2082 11.2082 11.6926 11.6926 k = 0.5000 0.1443 0.4082 ( 6504 PWs) bands (ev): -45.3891 -45.3891 -45.3859 -45.3859 -17.4500 -17.4500 -17.4366 -17.4366 -17.2863 -17.2863 -17.2629 -17.2629 -17.2576 -17.2576 -17.2376 -17.2376 -5.0862 -5.0862 -5.0499 -5.0499 -5.0365 -5.0365 -4.9869 -4.9869 -3.0332 -3.0332 -2.9706 -2.9706 -2.9022 -2.9022 -2.8172 -2.8172 -2.7299 -2.7299 -2.6410 -2.6410 0.5350 0.5350 2.0815 2.0815 5.3113 5.3113 6.6298 6.6298 8.5887 8.5887 9.6801 9.6801 11.1736 11.1736 11.7410 11.7410 k = 0.5000 0.1540 0.3946 ( 6502 PWs) bands (ev): -45.3892 -45.3892 -45.3859 -45.3859 -17.4503 -17.4503 -17.4362 -17.4362 -17.2863 -17.2863 -17.2631 -17.2631 -17.2574 -17.2574 -17.2376 -17.2376 -5.0863 -5.0863 -5.0502 -5.0502 -5.0359 -5.0359 -4.9871 -4.9871 -3.0330 -3.0330 -2.9734 -2.9734 -2.9026 -2.9026 -2.8113 -2.8113 -2.7295 -2.7295 -2.6446 -2.6446 0.4970 0.4970 2.1058 2.1058 5.3702 5.3702 6.7102 6.7102 8.5211 8.5211 9.6661 9.6661 11.0964 11.0964 11.8165 11.8165 k = 0.5000 0.1636 0.3810 ( 6488 PWs) bands (ev): -45.3893 -45.3893 -45.3858 -45.3858 -17.4505 -17.4505 -17.4358 -17.4358 -17.2863 -17.2863 -17.2632 -17.2632 -17.2572 -17.2572 -17.2375 -17.2375 -5.0863 -5.0863 -5.0506 -5.0506 -5.0352 -5.0352 -4.9872 -4.9872 -3.0328 -3.0328 -2.9760 -2.9760 -2.9030 -2.9030 -2.8053 -2.8053 -2.7290 -2.7290 -2.6484 -2.6484 0.4616 0.4616 2.1266 2.1266 5.4368 5.4368 6.7868 6.7868 8.4529 8.4529 9.6585 9.6585 10.9942 10.9942 11.9103 11.9103 k = 0.5000 0.1732 0.3674 ( 6484 PWs) bands (ev): -45.3893 -45.3893 -45.3857 -45.3857 -17.4508 -17.4508 -17.4355 -17.4355 -17.2864 -17.2864 -17.2634 -17.2634 -17.2571 -17.2571 -17.2375 -17.2375 -5.0863 -5.0863 -5.0509 -5.0509 -5.0346 -5.0346 -4.9875 -4.9875 -3.0326 -3.0326 -2.9786 -2.9786 -2.9034 -2.9034 -2.7991 -2.7991 -2.7286 -2.7286 -2.6525 -2.6525 0.4286 0.4286 2.1443 2.1443 5.5105 5.5105 6.8585 6.8585 8.3843 8.3843 9.6578 9.6578 10.8809 10.8809 12.0138 12.0138 k = 0.5000 0.1828 0.3538 ( 6482 PWs) bands (ev): -45.3894 -45.3894 -45.3856 -45.3856 -17.4510 -17.4510 -17.4351 -17.4351 -17.2864 -17.2864 -17.2636 -17.2636 -17.2569 -17.2569 -17.2375 -17.2375 -5.0863 -5.0863 -5.0513 -5.0513 -5.0339 -5.0339 -4.9877 -4.9877 -3.0325 -3.0325 -2.9810 -2.9810 -2.9039 -2.9039 -2.7928 -2.7928 -2.7282 -2.7282 -2.6569 -2.6569 0.3981 0.3981 2.1590 2.1590 5.5907 5.5907 6.9242 6.9242 8.3153 8.3153 9.6642 9.6642 10.7651 10.7651 12.1171 12.1171 k = 0.5000 0.1925 0.3402 ( 6472 PWs) bands (ev): -45.3895 -45.3895 -45.3856 -45.3856 -17.4512 -17.4512 -17.4348 -17.4348 -17.2865 -17.2865 -17.2637 -17.2637 -17.2567 -17.2567 -17.2375 -17.2375 -5.0864 -5.0864 -5.0516 -5.0516 -5.0332 -5.0332 -4.9879 -4.9879 -3.0323 -3.0323 -2.9832 -2.9832 -2.9043 -2.9043 -2.7863 -2.7863 -2.7278 -2.7278 -2.6614 -2.6614 0.3702 0.3702 2.1712 2.1712 5.6769 5.6769 6.9822 6.9822 8.2466 8.2466 9.6781 9.6781 10.6521 10.6521 12.1429 12.1429 k = 0.5000 0.2021 0.3266 ( 6476 PWs) bands (ev): -45.3895 -45.3895 -45.3855 -45.3855 -17.4514 -17.4514 -17.4346 -17.4346 -17.2865 -17.2865 -17.2639 -17.2639 -17.2565 -17.2565 -17.2375 -17.2375 -5.0864 -5.0864 -5.0520 -5.0520 -5.0325 -5.0325 -4.9882 -4.9882 -3.0321 -3.0321 -2.9853 -2.9853 -2.9048 -2.9048 -2.7798 -2.7798 -2.7275 -2.7275 -2.6663 -2.6663 0.3450 0.3450 2.1811 2.1811 5.7682 5.7682 7.0310 7.0310 8.1788 8.1788 9.6993 9.6993 10.5457 10.5457 12.0102 12.0102 k = 0.5000 0.2117 0.3130 ( 6476 PWs) bands (ev): -45.3896 -45.3896 -45.3855 -45.3855 -17.4516 -17.4516 -17.4343 -17.4343 -17.2866 -17.2866 -17.2641 -17.2641 -17.2564 -17.2564 -17.2374 -17.2374 -5.0864 -5.0864 -5.0524 -5.0524 -5.0318 -5.0318 -4.9885 -4.9885 -3.0319 -3.0319 -2.9872 -2.9872 -2.9052 -2.9052 -2.7732 -2.7732 -2.7272 -2.7272 -2.6713 -2.6713 0.3223 0.3223 2.1890 2.1890 5.8638 5.8638 7.0686 7.0686 8.1133 8.1133 9.7273 9.7273 10.4483 10.4483 11.8590 11.8590 k = 0.5000 0.2213 0.2994 ( 6480 PWs) bands (ev): -45.3896 -45.3896 -45.3854 -45.3854 -17.4518 -17.4518 -17.4341 -17.4341 -17.2866 -17.2866 -17.2643 -17.2643 -17.2562 -17.2562 -17.2374 -17.2374 -5.0864 -5.0864 -5.0527 -5.0527 -5.0312 -5.0312 -4.9887 -4.9887 -3.0318 -3.0318 -2.9889 -2.9889 -2.9056 -2.9056 -2.7665 -2.7665 -2.7269 -2.7269 -2.6765 -2.6765 0.3022 0.3022 2.1953 2.1953 5.9628 5.9628 7.0931 7.0931 8.0518 8.0518 9.7613 9.7613 10.3624 10.3624 11.7100 11.7100 k = 0.5000 0.2309 0.2858 ( 6480 PWs) bands (ev): -45.3897 -45.3897 -45.3854 -45.3854 -17.4519 -17.4519 -17.4340 -17.4340 -17.2866 -17.2866 -17.2644 -17.2644 -17.2561 -17.2561 -17.2375 -17.2375 -5.0864 -5.0864 -5.0530 -5.0530 -5.0307 -5.0307 -4.9890 -4.9890 -3.0316 -3.0316 -2.9905 -2.9905 -2.9060 -2.9060 -2.7599 -2.7599 -2.7266 -2.7266 -2.6819 -2.6819 0.2849 0.2849 2.2001 2.2001 6.0638 6.0638 7.1024 7.1024 7.9964 7.9964 9.7993 9.7993 10.2901 10.2901 11.5672 11.5672 k = 0.5000 0.2406 0.2722 ( 6486 PWs) bands (ev): -45.3897 -45.3897 -45.3854 -45.3854 -17.4520 -17.4520 -17.4338 -17.4338 -17.2866 -17.2866 -17.2645 -17.2645 -17.2560 -17.2560 -17.2375 -17.2375 -5.0864 -5.0864 -5.0533 -5.0533 -5.0302 -5.0302 -4.9892 -4.9892 -3.0315 -3.0315 -2.9918 -2.9918 -2.9063 -2.9063 -2.7532 -2.7532 -2.7264 -2.7264 -2.6875 -2.6875 0.2701 0.2701 2.2037 2.2037 6.1656 6.1656 7.0953 7.0953 7.9492 7.9492 9.8380 9.8380 10.2339 10.2339 11.4331 11.4331 k = 0.5000 0.2502 0.2586 ( 6482 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4521 -17.4521 -17.4337 -17.4337 -17.2866 -17.2866 -17.2646 -17.2646 -17.2559 -17.2559 -17.2375 -17.2375 -5.0864 -5.0864 -5.0535 -5.0535 -5.0298 -5.0298 -4.9894 -4.9894 -3.0313 -3.0313 -2.9928 -2.9928 -2.9065 -2.9065 -2.7466 -2.7466 -2.7263 -2.7263 -2.6932 -2.6932 0.2581 0.2581 2.2064 2.2064 6.2658 6.2658 7.0718 7.0718 7.9116 7.9116 9.8723 9.8723 10.1970 10.1970 11.3109 11.3109 k = 0.5000 0.2598 0.2449 ( 6484 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4522 -17.4522 -17.4336 -17.4336 -17.2867 -17.2867 -17.2647 -17.2647 -17.2558 -17.2558 -17.2375 -17.2375 -5.0864 -5.0864 -5.0537 -5.0537 -5.0294 -5.0294 -4.9895 -4.9895 -3.0313 -3.0313 -2.9937 -2.9937 -2.9068 -2.9068 -2.7402 -2.7402 -2.7261 -2.7261 -2.6990 -2.6990 0.2487 0.2487 2.2083 2.2083 6.3614 6.3614 7.0344 7.0344 7.8840 7.8840 9.8965 9.8965 10.1817 10.1817 11.2046 11.2046 k = 0.5000 0.2694 0.2313 ( 6474 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2648 -17.2648 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0538 -5.0538 -5.0292 -5.0292 -4.9896 -4.9896 -3.0312 -3.0312 -2.9943 -2.9943 -2.9069 -2.9069 -2.7340 -2.7340 -2.7260 -2.7260 -2.7046 -2.7046 0.2420 0.2420 2.2096 2.2096 6.4467 6.4467 6.9893 6.9893 7.8657 7.8657 9.9084 9.9084 10.1848 10.1848 11.1200 11.1200 k = 0.5000 0.2791 0.2177 ( 6476 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2649 -17.2649 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0538 -5.0538 -5.0291 -5.0291 -4.9897 -4.9897 -3.0311 -3.0311 -2.9947 -2.9947 -2.9070 -2.9070 -2.7286 -2.7286 -2.7259 -2.7259 -2.7097 -2.7097 0.2379 0.2379 2.2103 2.2103 6.5108 6.5108 6.9486 6.9486 7.8554 7.8554 9.9119 9.9119 10.1951 10.1951 11.0643 11.0643 k = 0.5000 0.2887 0.2041 ( 6478 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2649 -17.2649 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0539 -5.0539 -5.0290 -5.0290 -4.9897 -4.9897 -3.0311 -3.0311 -2.9948 -2.9948 -2.9071 -2.9071 -2.7260 -2.7260 -2.7259 -2.7259 -2.7123 -2.7123 0.2366 0.2366 2.2105 2.2105 6.5360 6.5360 6.9311 6.9311 7.8521 7.8521 9.9123 9.9123 10.2003 10.2003 11.0447 11.0447 k = 0.5000 0.2887 0.2041 ( 6478 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2649 -17.2649 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0539 -5.0539 -5.0290 -5.0290 -4.9897 -4.9897 -3.0311 -3.0311 -2.9948 -2.9948 -2.9071 -2.9071 -2.7260 -2.7260 -2.7259 -2.7259 -2.7123 -2.7123 0.2366 0.2366 2.2105 2.2105 6.5360 6.5360 6.9311 6.9311 7.8521 7.8521 9.9123 9.9123 10.2003 10.2003 11.0447 11.0447 k = 0.4952 0.2859 0.2198 ( 6476 PWs) bands (ev): -45.3898 -45.3898 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2649 -17.2649 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0538 -5.0538 -5.0291 -5.0291 -4.9897 -4.9897 -3.0311 -3.0311 -2.9947 -2.9947 -2.9070 -2.9070 -2.7286 -2.7286 -2.7259 -2.7259 -2.7097 -2.7097 0.2379 0.2379 2.2103 2.2103 6.5109 6.5109 6.9486 6.9486 7.8554 7.8554 9.9119 9.9119 10.1951 10.1951 11.0643 11.0643 k = 0.4904 0.2831 0.2355 ( 6474 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4522 -17.4522 -17.4335 -17.4335 -17.2866 -17.2866 -17.2648 -17.2648 -17.2557 -17.2557 -17.2375 -17.2375 -5.0864 -5.0864 -5.0538 -5.0538 -5.0292 -5.0292 -4.9896 -4.9896 -3.0312 -3.0312 -2.9943 -2.9943 -2.9069 -2.9069 -2.7340 -2.7340 -2.7260 -2.7260 -2.7046 -2.7046 0.2420 0.2420 2.2096 2.2096 6.4468 6.4468 6.9893 6.9893 7.8656 7.8656 9.9084 9.9084 10.1847 10.1847 11.1199 11.1199 k = 0.4856 0.2803 0.2512 ( 6482 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4522 -17.4522 -17.4336 -17.4336 -17.2866 -17.2866 -17.2647 -17.2647 -17.2558 -17.2558 -17.2375 -17.2375 -5.0864 -5.0864 -5.0537 -5.0537 -5.0294 -5.0294 -4.9895 -4.9895 -3.0313 -3.0313 -2.9937 -2.9937 -2.9068 -2.9068 -2.7402 -2.7402 -2.7261 -2.7261 -2.6990 -2.6990 0.2487 0.2487 2.2083 2.2083 6.3615 6.3615 7.0345 7.0345 7.8837 7.8837 9.8970 9.8970 10.1813 10.1813 11.2044 11.2044 k = 0.4808 0.2776 0.2669 ( 6482 PWs) bands (ev): -45.3897 -45.3897 -45.3853 -45.3853 -17.4521 -17.4521 -17.4337 -17.4337 -17.2866 -17.2866 -17.2646 -17.2646 -17.2559 -17.2559 -17.2375 -17.2375 -5.0864 -5.0864 -5.0535 -5.0535 -5.0298 -5.0298 -4.9894 -4.9894 -3.0313 -3.0313 -2.9928 -2.9928 -2.9066 -2.9066 -2.7466 -2.7466 -2.7262 -2.7262 -2.6932 -2.6932 0.2580 0.2580 2.2064 2.2064 6.2659 6.2659 7.0725 7.0725 7.9105 7.9105 9.8744 9.8744 10.1952 10.1952 11.3107 11.3107 k = 0.4760 0.2748 0.2826 ( 6482 PWs) bands (ev): -45.3897 -45.3897 -45.3854 -45.3854 -17.4520 -17.4520 -17.4338 -17.4338 -17.2866 -17.2866 -17.2646 -17.2646 -17.2560 -17.2560 -17.2375 -17.2375 -5.0864 -5.0864 -5.0533 -5.0533 -5.0302 -5.0302 -4.9892 -4.9892 -3.0315 -3.0315 -2.9918 -2.9918 -2.9063 -2.9063 -2.7532 -2.7532 -2.7264 -2.7264 -2.6876 -2.6876 0.2701 0.2701 2.2037 2.2037 6.1654 6.1654 7.0979 7.0979 7.9456 7.9456 9.8442 9.8442 10.2288 10.2288 11.4330 11.4330 k = 0.4712 0.2720 0.2983 ( 6469 PWs) bands (ev): -45.3896 -45.3896 -45.3854 -45.3854 -17.4518 -17.4518 -17.4339 -17.4339 -17.2866 -17.2866 -17.2644 -17.2644 -17.2561 -17.2561 -17.2374 -17.2374 -5.0864 -5.0864 -5.0530 -5.0530 -5.0307 -5.0307 -4.9889 -4.9889 -3.0316 -3.0316 -2.9904 -2.9904 -2.9059 -2.9059 -2.7599 -2.7599 -2.7266 -2.7266 -2.6820 -2.6820 0.2848 0.2848 2.2001 2.2001 6.0631 6.0631 7.1089 7.1089 7.9870 7.9870 9.8132 9.8132 10.2793 10.2793 11.5672 11.5672 k = 0.4663 0.2692 0.3140 ( 6473 PWs) bands (ev): -45.3896 -45.3896 -45.3854 -45.3854 -17.4517 -17.4517 -17.4341 -17.4341 -17.2866 -17.2866 -17.2643 -17.2643 -17.2562 -17.2562 -17.2374 -17.2374 -5.0864 -5.0864 -5.0527 -5.0527 -5.0312 -5.0312 -4.9887 -4.9887 -3.0317 -3.0317 -2.9889 -2.9889 -2.9056 -2.9056 -2.7665 -2.7665 -2.7268 -2.7268 -2.6766 -2.6766 0.3021 0.3021 2.1953 2.1953 5.9611 5.9611 7.1064 7.1064 8.0314 8.0314 9.7882 9.7882 10.3434 10.3434 11.7102 11.7102 k = 0.4615 0.2665 0.3297 ( 6475 PWs) bands (ev): -45.3896 -45.3896 -45.3855 -45.3855 -17.4516 -17.4516 -17.4343 -17.4343 -17.2865 -17.2865 -17.2641 -17.2641 -17.2564 -17.2564 -17.2374 -17.2374 -5.0864 -5.0864 -5.0524 -5.0524 -5.0318 -5.0318 -4.9885 -4.9885 -3.0319 -3.0319 -2.9872 -2.9872 -2.9052 -2.9052 -2.7732 -2.7732 -2.7270 -2.7270 -2.6714 -2.6714 0.3221 0.3221 2.1890 2.1890 5.8606 5.8606 7.0924 7.0924 8.0744 8.0744 9.7743 9.7743 10.4181 10.4181 11.8591 11.8591 k = 0.4567 0.2637 0.3454 ( 6477 PWs) bands (ev): -45.3895 -45.3895 -45.3855 -45.3855 -17.4514 -17.4514 -17.4346 -17.4346 -17.2865 -17.2865 -17.2639 -17.2639 -17.2565 -17.2565 -17.2374 -17.2374 -5.0864 -5.0864 -5.0520 -5.0520 -5.0325 -5.0325 -4.9882 -4.9882 -3.0321 -3.0321 -2.9853 -2.9853 -2.9048 -2.9048 -2.7799 -2.7799 -2.7272 -2.7272 -2.6664 -2.6664 0.3448 0.3448 2.1811 2.1811 5.7630 5.7630 7.0692 7.0692 8.1120 8.1120 9.7752 9.7752 10.5015 10.5015 12.0084 12.0084 k = 0.4519 0.2609 0.3611 ( 6481 PWs) bands (ev): -45.3895 -45.3895 -45.3856 -45.3856 -17.4512 -17.4512 -17.4349 -17.4349 -17.2865 -17.2865 -17.2638 -17.2638 -17.2567 -17.2567 -17.2375 -17.2375 -5.0864 -5.0864 -5.0517 -5.0517 -5.0331 -5.0331 -4.9880 -4.9880 -3.0322 -3.0322 -2.9833 -2.9833 -2.9043 -2.9043 -2.7865 -2.7865 -2.7274 -2.7274 -2.6617 -2.6617 0.3700 0.3700 2.1711 2.1711 5.6690 5.6690 7.0392 7.0392 8.1408 8.1408 9.7929 9.7929 10.5920 10.5920 12.1242 12.1242 k = 0.4471 0.2581 0.3768 ( 6481 PWs) bands (ev): -45.3894 -45.3894 -45.3856 -45.3856 -17.4510 -17.4510 -17.4351 -17.4351 -17.2864 -17.2864 -17.2636 -17.2636 -17.2568 -17.2568 -17.2375 -17.2375 -5.0863 -5.0863 -5.0513 -5.0513 -5.0338 -5.0338 -4.9877 -4.9877 -3.0324 -3.0324 -2.9810 -2.9810 -2.9039 -2.9039 -2.7930 -2.7930 -2.7276 -2.7276 -2.6573 -2.6573 0.3978 0.3978 2.1589 2.1589 5.5795 5.5795 7.0040 7.0040 8.1592 8.1592 9.8283 9.8283 10.6880 10.6880 12.0733 12.0733 k = 0.4423 0.2554 0.3925 ( 6486 PWs) bands (ev): -45.3893 -45.3893 -45.3857 -45.3857 -17.4508 -17.4508 -17.4355 -17.4355 -17.2864 -17.2864 -17.2635 -17.2635 -17.2570 -17.2570 -17.2375 -17.2375 -5.0863 -5.0863 -5.0510 -5.0510 -5.0344 -5.0344 -4.9875 -4.9875 -3.0326 -3.0326 -2.9787 -2.9787 -2.9035 -2.9035 -2.7994 -2.7994 -2.7277 -2.7277 -2.6530 -2.6530 0.4281 0.4281 2.1440 2.1440 5.4952 5.4952 6.9653 6.9653 8.1664 8.1664 9.8803 9.8803 10.7879 10.7879 11.9614 11.9614 k = 0.4375 0.2526 0.4082 ( 6483 PWs) bands (ev): -45.3893 -45.3893 -45.3858 -45.3858 -17.4505 -17.4505 -17.4358 -17.4358 -17.2863 -17.2863 -17.2633 -17.2633 -17.2571 -17.2571 -17.2375 -17.2375 -5.0863 -5.0863 -5.0507 -5.0507 -5.0350 -5.0350 -4.9873 -4.9873 -3.0327 -3.0327 -2.9762 -2.9762 -2.9030 -2.9030 -2.8057 -2.8057 -2.7278 -2.7278 -2.6491 -2.6491 0.4609 0.4609 2.1261 2.1261 5.4168 5.4168 6.9242 6.9242 8.1634 8.1634 9.9466 9.9466 10.8895 10.8895 11.8486 11.8486 k = 0.4327 0.2498 0.4240 ( 6475 PWs) bands (ev): -45.3892 -45.3892 -45.3858 -45.3858 -17.4503 -17.4503 -17.4361 -17.4361 -17.2862 -17.2862 -17.2632 -17.2632 -17.2572 -17.2572 -17.2375 -17.2375 -5.0862 -5.0862 -5.0504 -5.0504 -5.0356 -5.0356 -4.9871 -4.9871 -3.0328 -3.0328 -2.9736 -2.9736 -2.9026 -2.9026 -2.8118 -2.8118 -2.7279 -2.7279 -2.6455 -2.6455 0.4962 0.4962 2.1050 2.1050 5.3449 5.3449 6.8817 6.8817 8.1516 8.1516 10.0236 10.0236 10.9896 10.9896 11.7450 11.7450 k = 0.4279 0.2470 0.4397 ( 6479 PWs) bands (ev): -45.3891 -45.3891 -45.3859 -45.3859 -17.4500 -17.4500 -17.4365 -17.4365 -17.2862 -17.2862 -17.2632 -17.2632 -17.2572 -17.2572 -17.2376 -17.2376 -5.0861 -5.0861 -5.0502 -5.0502 -5.0360 -5.0360 -4.9870 -4.9870 -3.0329 -3.0329 -2.9709 -2.9709 -2.9023 -2.9023 -2.8178 -2.8178 -2.7279 -2.7279 -2.6421 -2.6421 0.5338 0.5338 2.0804 2.0804 5.2799 5.2799 6.8387 6.8387 8.1329 8.1329 10.1065 10.1065 11.0817 11.0817 11.6599 11.6599 k = 0.4231 0.2443 0.4554 ( 6485 PWs) bands (ev): -45.3890 -45.3890 -45.3860 -45.3860 -17.4497 -17.4497 -17.4369 -17.4369 -17.2861 -17.2861 -17.2632 -17.2632 -17.2572 -17.2572 -17.2376 -17.2376 -5.0860 -5.0860 -5.0502 -5.0502 -5.0364 -5.0364 -4.9869 -4.9869 -3.0330 -3.0330 -2.9682 -2.9682 -2.9020 -2.9020 -2.8235 -2.8235 -2.7278 -2.7278 -2.6391 -2.6391 0.5736 0.5736 2.0521 2.0521 5.2224 5.2224 6.7956 6.7956 8.1092 8.1092 10.1888 10.1888 11.1541 11.1541 11.6090 11.6090 k = 0.4183 0.2415 0.4711 ( 6495 PWs) bands (ev): -45.3889 -45.3889 -45.3861 -45.3861 -17.4494 -17.4494 -17.4373 -17.4373 -17.2860 -17.2860 -17.2633 -17.2633 -17.2572 -17.2572 -17.2377 -17.2377 -5.0860 -5.0860 -5.0502 -5.0502 -5.0366 -5.0366 -4.9868 -4.9868 -3.0330 -3.0330 -2.9655 -2.9655 -2.9017 -2.9017 -2.8291 -2.8291 -2.7277 -2.7277 -2.6364 -2.6364 0.6156 0.6156 2.0200 2.0200 5.1727 5.1727 6.7531 6.7531 8.0822 8.0822 10.2621 10.2621 11.1931 11.1931 11.6117 11.6117 k = 0.4135 0.2387 0.4868 ( 6502 PWs) bands (ev): -45.3889 -45.3889 -45.3862 -45.3862 -17.4491 -17.4491 -17.4377 -17.4377 -17.2860 -17.2860 -17.2634 -17.2634 -17.2571 -17.2571 -17.2377 -17.2377 -5.0859 -5.0859 -5.0504 -5.0504 -5.0366 -5.0366 -4.9868 -4.9868 -3.0330 -3.0330 -2.9628 -2.9628 -2.9016 -2.9016 -2.8344 -2.8344 -2.7274 -2.7274 -2.6341 -2.6341 0.6594 0.6594 1.9842 1.9842 5.1310 5.1310 6.7114 6.7114 8.0534 8.0534 10.3153 10.3153 11.2067 11.2067 11.6680 11.6680 k = 0.4087 0.2359 0.5025 ( 6495 PWs) bands (ev): -45.3888 -45.3888 -45.3863 -45.3863 -17.4488 -17.4488 -17.4381 -17.4381 -17.2859 -17.2859 -17.2636 -17.2636 -17.2569 -17.2569 -17.2378 -17.2378 -5.0857 -5.0857 -5.0506 -5.0506 -5.0365 -5.0365 -4.9869 -4.9869 -3.0329 -3.0329 -2.9602 -2.9602 -2.9014 -2.9014 -2.8393 -2.8393 -2.7270 -2.7270 -2.6320 -2.6320 0.7049 0.7049 1.9449 1.9449 5.0975 5.0975 6.6711 6.6711 8.0238 8.0238 10.3372 10.3372 11.2249 11.2249 11.7562 11.7562 k = 0.4038 0.2332 0.5182 ( 6505 PWs) bands (ev): -45.3887 -45.3887 -45.3864 -45.3864 -17.4485 -17.4485 -17.4385 -17.4385 -17.2858 -17.2858 -17.2638 -17.2638 -17.2567 -17.2567 -17.2378 -17.2378 -5.0856 -5.0856 -5.0510 -5.0510 -5.0362 -5.0362 -4.9870 -4.9870 -3.0328 -3.0328 -2.9578 -2.9578 -2.9013 -2.9013 -2.8440 -2.8440 -2.7266 -2.7266 -2.6303 -2.6303 0.7518 0.7518 1.9024 1.9024 5.0724 5.0724 6.6324 6.6324 7.9945 7.9945 10.3222 10.3222 11.2683 11.2683 11.8572 11.8572 k = 0.3990 0.2304 0.5339 ( 6510 PWs) bands (ev): -45.3886 -45.3886 -45.3865 -45.3865 -17.4481 -17.4481 -17.4389 -17.4389 -17.2857 -17.2857 -17.2641 -17.2641 -17.2564 -17.2564 -17.2379 -17.2379 -5.0854 -5.0854 -5.0516 -5.0516 -5.0358 -5.0358 -4.9871 -4.9871 -3.0326 -3.0326 -2.9555 -2.9555 -2.9013 -2.9013 -2.8482 -2.8482 -2.7260 -2.7260 -2.6288 -2.6288 0.7995 0.7995 1.8573 1.8573 5.0554 5.0554 6.5955 6.5955 7.9662 7.9662 10.2739 10.2739 11.3393 11.3393 11.9605 11.9605 k = 0.3942 0.2276 0.5496 ( 6510 PWs) bands (ev): -45.3885 -45.3885 -45.3866 -45.3866 -17.4478 -17.4478 -17.4393 -17.4393 -17.2856 -17.2856 -17.2644 -17.2644 -17.2561 -17.2561 -17.2380 -17.2380 -5.0853 -5.0853 -5.0522 -5.0522 -5.0352 -5.0352 -4.9873 -4.9873 -3.0323 -3.0323 -2.9536 -2.9536 -2.9014 -2.9014 -2.8520 -2.8520 -2.7253 -2.7253 -2.6278 -2.6278 0.8472 0.8472 1.8105 1.8105 5.0464 5.0464 6.5606 6.5606 7.9395 7.9395 10.2015 10.2015 11.4299 11.4299 12.0590 12.0590 k = 0.3894 0.2248 0.5653 ( 6508 PWs) bands (ev): -45.3884 -45.3884 -45.3867 -45.3867 -17.4475 -17.4475 -17.4397 -17.4397 -17.2854 -17.2854 -17.2648 -17.2648 -17.2557 -17.2557 -17.2381 -17.2381 -5.0851 -5.0851 -5.0528 -5.0528 -5.0346 -5.0346 -4.9875 -4.9875 -3.0320 -3.0320 -2.9520 -2.9520 -2.9015 -2.9015 -2.8552 -2.8552 -2.7245 -2.7245 -2.6270 -2.6270 0.8939 0.8939 1.7634 1.7634 5.0454 5.0454 6.5280 6.5280 7.9147 7.9147 10.1136 10.1136 11.5300 11.5300 12.1481 12.1481 k = 0.3846 0.2221 0.5810 ( 6503 PWs) bands (ev): -45.3883 -45.3883 -45.3867 -45.3867 -17.4471 -17.4471 -17.4400 -17.4400 -17.2853 -17.2853 -17.2652 -17.2652 -17.2553 -17.2553 -17.2382 -17.2382 -5.0849 -5.0849 -5.0535 -5.0535 -5.0338 -5.0338 -4.9877 -4.9877 -3.0315 -3.0315 -2.9509 -2.9509 -2.9016 -2.9016 -2.8579 -2.8579 -2.7236 -2.7236 -2.6265 -2.6265 0.9380 0.9380 1.7178 1.7178 5.0518 5.0518 6.4978 6.4978 7.8923 7.8923 10.0165 10.0165 11.6297 11.6297 12.2259 12.2259 k = 0.3798 0.2193 0.5967 ( 6509 PWs) bands (ev): -45.3883 -45.3883 -45.3868 -45.3868 -17.4469 -17.4469 -17.4404 -17.4404 -17.2852 -17.2852 -17.2657 -17.2657 -17.2549 -17.2549 -17.2383 -17.2383 -5.0847 -5.0847 -5.0543 -5.0543 -5.0330 -5.0330 -4.9880 -4.9880 -3.0310 -3.0310 -2.9502 -2.9502 -2.9018 -2.9018 -2.8598 -2.8598 -2.7226 -2.7226 -2.6264 -2.6264 0.9769 0.9769 1.6768 1.6768 5.0655 5.0655 6.4700 6.4700 7.8725 7.8725 9.9143 9.9143 11.7199 11.7199 12.2947 12.2947 k = 0.3750 0.2165 0.6124 ( 6511 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4467 -17.4467 -17.4406 -17.4406 -17.2850 -17.2850 -17.2661 -17.2661 -17.2545 -17.2545 -17.2384 -17.2384 -5.0844 -5.0844 -5.0551 -5.0551 -5.0322 -5.0322 -4.9884 -4.9884 -3.0304 -3.0304 -2.9501 -2.9501 -2.9022 -2.9022 -2.8611 -2.8611 -2.7215 -2.7215 -2.6266 -2.6266 1.0069 1.0069 1.6441 1.6441 5.0860 5.0860 6.4450 6.4450 7.8556 7.8556 9.8096 9.8096 11.7928 11.7928 12.3602 12.3602 k = 0.6250-0.0722 0.4082 ( 6511 PWs) bands (ev): -45.3882 -45.3882 -45.3869 -45.3869 -17.4467 -17.4467 -17.4406 -17.4406 -17.2850 -17.2850 -17.2661 -17.2661 -17.2545 -17.2545 -17.2384 -17.2384 -5.0844 -5.0844 -5.0551 -5.0551 -5.0322 -5.0322 -4.9884 -4.9884 -3.0304 -3.0304 -2.9501 -2.9501 -2.9022 -2.9022 -2.8611 -2.8611 -2.7215 -2.7215 -2.6266 -2.6266 1.0069 1.0069 1.6441 1.6441 5.0860 5.0860 6.4450 6.4450 7.8556 7.8556 9.8096 9.8096 11.7928 11.7928 12.3602 12.3602 k = 0.6167-0.0866 0.4082 ( 6511 PWs) bands (ev): -45.3881 -45.3881 -45.3870 -45.3870 -17.4464 -17.4464 -17.4410 -17.4410 -17.2847 -17.2847 -17.2670 -17.2670 -17.2537 -17.2537 -17.2386 -17.2386 -5.0840 -5.0840 -5.0565 -5.0565 -5.0306 -5.0306 -4.9891 -4.9891 -3.0292 -3.0292 -2.9507 -2.9507 -2.9026 -2.9026 -2.8625 -2.8625 -2.7194 -2.7194 -2.6273 -2.6273 1.0473 1.0473 1.5989 1.5989 5.1311 5.1311 6.4051 6.4051 7.8293 7.8293 9.6253 9.6253 11.9034 11.9034 12.4736 12.4736 k = 0.6083-0.1010 0.4082 ( 6507 PWs) bands (ev): -45.3880 -45.3880 -45.3870 -45.3870 -17.4460 -17.4460 -17.4413 -17.4413 -17.2844 -17.2844 -17.2678 -17.2678 -17.2529 -17.2529 -17.2388 -17.2388 -5.0835 -5.0835 -5.0579 -5.0579 -5.0290 -5.0290 -4.9899 -4.9899 -3.0278 -3.0278 -2.9520 -2.9520 -2.9025 -2.9025 -2.8638 -2.8638 -2.7170 -2.7170 -2.6283 -2.6283 1.0842 1.0842 1.5569 1.5569 5.1839 5.1839 6.3676 6.3676 7.8042 7.8042 9.4394 9.4394 12.0192 12.0192 12.5872 12.5872 k = 0.6000-0.1155 0.4082 ( 6511 PWs) bands (ev): -45.3880 -45.3880 -45.3871 -45.3871 -17.4458 -17.4458 -17.4416 -17.4416 -17.2841 -17.2841 -17.2686 -17.2686 -17.2521 -17.2521 -17.2391 -17.2391 -5.0830 -5.0830 -5.0592 -5.0592 -5.0273 -5.0273 -4.9907 -4.9907 -3.0262 -3.0262 -2.9539 -2.9539 -2.9021 -2.9021 -2.8652 -2.8652 -2.7142 -2.7142 -2.6297 -2.6297 1.1176 1.1176 1.5179 1.5179 5.2440 5.2440 6.3327 6.3327 7.7804 7.7804 9.2536 9.2536 12.1391 12.1391 12.7003 12.7003 k = 0.5917-0.1299 0.4082 ( 6511 PWs) bands (ev): -45.3879 -45.3879 -45.3872 -45.3872 -17.4455 -17.4455 -17.4418 -17.4418 -17.2837 -17.2837 -17.2694 -17.2694 -17.2514 -17.2514 -17.2394 -17.2394 -5.0825 -5.0825 -5.0606 -5.0606 -5.0256 -5.0256 -4.9917 -4.9917 -3.0245 -3.0245 -2.9564 -2.9564 -2.9012 -2.9012 -2.8665 -2.8665 -2.7112 -2.7112 -2.6314 -2.6314 1.1477 1.1477 1.4820 1.4820 5.3108 5.3108 6.3003 6.3003 7.7582 7.7582 9.0697 9.0697 12.2624 12.2624 12.8124 12.8124 k = 0.5833-0.1443 0.4082 ( 6511 PWs) bands (ev): -45.3878 -45.3878 -45.3872 -45.3872 -17.4453 -17.4453 -17.4421 -17.4421 -17.2833 -17.2833 -17.2703 -17.2703 -17.2506 -17.2506 -17.2397 -17.2397 -5.0819 -5.0819 -5.0619 -5.0619 -5.0240 -5.0240 -4.9927 -4.9927 -3.0226 -3.0226 -2.9592 -2.9592 -2.9000 -2.9000 -2.8678 -2.8678 -2.7079 -2.7079 -2.6334 -2.6334 1.1745 1.1745 1.4492 1.4492 5.3838 5.3838 6.2705 6.2705 7.7375 7.7375 8.8888 8.8888 12.3883 12.3883 12.9226 12.9226 k = 0.5750-0.1588 0.4082 ( 6501 PWs) bands (ev): -45.3878 -45.3878 -45.3873 -45.3873 -17.4450 -17.4450 -17.4423 -17.4423 -17.2829 -17.2829 -17.2710 -17.2710 -17.2499 -17.2499 -17.2400 -17.2400 -5.0812 -5.0812 -5.0632 -5.0632 -5.0222 -5.0222 -4.9938 -4.9938 -3.0205 -3.0205 -2.9624 -2.9624 -2.8986 -2.8986 -2.8691 -2.8691 -2.7044 -2.7044 -2.6357 -2.6357 1.1982 1.1982 1.4195 1.4195 5.4621 5.4621 6.2433 6.2433 7.7186 7.7186 8.7124 8.7124 12.5159 12.5159 13.0298 13.0298 k = 0.5667-0.1732 0.4082 ( 6501 PWs) bands (ev): -45.3877 -45.3877 -45.3873 -45.3873 -17.4448 -17.4448 -17.4425 -17.4425 -17.2824 -17.2824 -17.2718 -17.2718 -17.2492 -17.2492 -17.2403 -17.2403 -5.0805 -5.0805 -5.0645 -5.0645 -5.0205 -5.0205 -4.9950 -4.9950 -3.0182 -3.0182 -2.9658 -2.9658 -2.8970 -2.8970 -2.8705 -2.8705 -2.7007 -2.7007 -2.6383 -2.6383 1.2188 1.2188 1.3930 1.3930 5.5447 5.5447 6.2188 6.2188 7.7015 7.7015 8.5419 8.5419 12.6444 12.6444 13.1327 13.1327 k = 0.5583-0.1876 0.4082 ( 6505 PWs) bands (ev): -45.3877 -45.3877 -45.3874 -45.3874 -17.4446 -17.4446 -17.4427 -17.4427 -17.2820 -17.2820 -17.2726 -17.2726 -17.2485 -17.2485 -17.2407 -17.2407 -5.0798 -5.0798 -5.0658 -5.0658 -5.0188 -5.0188 -4.9963 -4.9963 -3.0158 -3.0158 -2.9694 -2.9694 -2.8954 -2.8954 -2.8720 -2.8720 -2.6968 -2.6968 -2.6411 -2.6411 1.2365 1.2365 1.3695 1.3695 5.6301 5.6301 6.1970 6.1970 7.6863 7.6863 8.3787 8.3787 12.7726 12.7726 13.2295 13.2295 k = 0.5500-0.2021 0.4082 ( 6503 PWs) bands (ev): -45.3876 -45.3876 -45.3874 -45.3874 -17.4445 -17.4445 -17.4429 -17.4429 -17.2814 -17.2814 -17.2734 -17.2734 -17.2478 -17.2478 -17.2411 -17.2411 -5.0791 -5.0791 -5.0670 -5.0670 -5.0170 -5.0170 -4.9976 -4.9976 -3.0133 -3.0133 -2.9731 -2.9731 -2.8936 -2.8936 -2.8734 -2.8734 -2.6928 -2.6928 -2.6443 -2.6443 1.2515 1.2515 1.3492 1.3492 5.7165 5.7165 6.1777 6.1777 7.6732 7.6732 8.2249 8.2249 12.8992 12.8992 13.3179 13.3179 k = 0.5417-0.2165 0.4082 ( 6497 PWs) bands (ev): -45.3876 -45.3876 -45.3875 -45.3875 -17.4443 -17.4443 -17.4430 -17.4430 -17.2809 -17.2809 -17.2742 -17.2742 -17.2471 -17.2471 -17.2415 -17.2415 -5.0782 -5.0782 -5.0682 -5.0682 -5.0153 -5.0153 -4.9990 -4.9990 -3.0105 -3.0105 -2.9768 -2.9768 -2.8919 -2.8919 -2.8749 -2.8749 -2.6886 -2.6886 -2.6476 -2.6476 1.2639 1.2639 1.3320 1.3320 5.8016 5.8016 6.1611 6.1611 7.6623 7.6623 8.0829 8.0829 13.0223 13.0223 13.3949 13.3949 k = 0.5333-0.2309 0.4082 ( 6481 PWs) bands (ev): -45.3876 -45.3876 -45.3875 -45.3875 -17.4441 -17.4441 -17.4431 -17.4431 -17.2803 -17.2803 -17.2749 -17.2749 -17.2464 -17.2464 -17.2420 -17.2420 -5.0774 -5.0774 -5.0693 -5.0693 -5.0135 -5.0135 -5.0004 -5.0004 -3.0076 -3.0076 -2.9804 -2.9804 -2.8901 -2.8901 -2.8765 -2.8765 -2.6843 -2.6843 -2.6512 -2.6512 1.2738 1.2738 1.3180 1.3180 5.8824 5.8824 6.1467 6.1467 7.6538 7.6538 7.9557 7.9557 13.1397 13.1397 13.4571 13.4571 k = 0.5250-0.2454 0.4082 ( 6481 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4440 -17.4440 -17.4433 -17.4433 -17.2797 -17.2797 -17.2756 -17.2756 -17.2458 -17.2458 -17.2424 -17.2424 -5.0765 -5.0765 -5.0704 -5.0704 -5.0118 -5.0118 -5.0019 -5.0019 -3.0046 -3.0046 -2.9841 -2.9841 -2.8883 -2.8883 -2.8781 -2.8781 -2.6800 -2.6800 -2.6550 -2.6550 1.2814 1.2814 1.3070 1.3070 5.9551 5.9551 6.1343 6.1343 7.6482 7.6482 7.8472 7.8472 13.2484 13.2484 13.5003 13.5003 k = 0.5167-0.2598 0.4082 ( 6469 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4438 -17.4438 -17.4434 -17.4434 -17.2790 -17.2790 -17.2763 -17.2763 -17.2452 -17.2452 -17.2429 -17.2429 -5.0756 -5.0756 -5.0715 -5.0715 -5.0100 -5.0100 -5.0034 -5.0034 -3.0014 -3.0014 -2.9878 -2.9878 -2.8865 -2.8865 -2.8797 -2.8797 -2.6757 -2.6757 -2.6589 -2.6589 1.2868 1.2868 1.2991 1.2991 6.0157 6.0157 6.1227 6.1227 7.6465 7.6465 7.7615 7.7615 13.3447 13.3447 13.5205 13.5205 k = 0.5083-0.2742 0.4082 ( 6463 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4437 -17.4437 -17.4435 -17.4435 -17.2784 -17.2784 -17.2770 -17.2770 -17.2446 -17.2446 -17.2434 -17.2434 -5.0746 -5.0746 -5.0726 -5.0726 -5.0083 -5.0083 -5.0050 -5.0050 -2.9982 -2.9982 -2.9913 -2.9913 -2.8847 -2.8847 -2.8813 -2.8813 -2.6714 -2.6714 -2.6629 -2.6629 1.2901 1.2901 1.2943 1.2943 6.0610 6.0610 6.1097 6.1097 7.6509 7.6509 7.7016 7.7016 13.4241 13.4241 13.5147 13.5147 k = 0.5000-0.2887 0.4082 ( 6466 PWs) bands (ev): -45.3875 -45.3875 -45.3875 -45.3875 -17.4436 -17.4436 -17.4436 -17.4436 -17.2777 -17.2777 -17.2777 -17.2777 -17.2440 -17.2440 -17.2440 -17.2440 -5.0736 -5.0736 -5.0736 -5.0736 -5.0067 -5.0067 -5.0067 -5.0067 -2.9948 -2.9948 -2.9948 -2.9948 -2.8830 -2.8830 -2.8830 -2.8830 -2.6671 -2.6671 -2.6671 -2.6671 1.2920 1.2920 1.2920 1.2920 6.0910 6.0910 6.0910 6.0910 7.6667 7.6667 7.6667 7.6667 13.4820 13.4820 13.4820 13.4820 Writing output data file NaTl.save init_run : 0.20s CPU 0.31s WALL ( 1 calls) electrons : 148.35s CPU 150.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 148.34s CPU 150.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 284 calls) cegterg : 134.43s CPU 135.89s WALL ( 301 calls) Called by sum_band: Called by *egterg: h_psi : 93.60s CPU 95.03s WALL ( 5322 calls) s_psi : 3.75s CPU 3.82s WALL ( 5322 calls) g_psi : 0.28s CPU 0.26s WALL ( 4737 calls) cdiaghg : 31.97s CPU 32.39s WALL ( 5021 calls) cegterg:over : 5.81s CPU 5.79s WALL ( 4737 calls) cegterg:upda : 5.20s CPU 5.11s WALL ( 4737 calls) cegterg:last : 3.05s CPU 3.09s WALL ( 869 calls) cdiaghg:chol : 1.88s CPU 1.86s WALL ( 5021 calls) cdiaghg:inve : 1.11s CPU 1.17s WALL ( 5021 calls) cdiaghg:para : 1.98s CPU 1.91s WALL ( 10042 calls) Called by h_psi: h_psi:vloc : 87.06s CPU 88.33s WALL ( 5322 calls) h_psi:vnl : 6.28s CPU 6.43s WALL ( 5322 calls) add_vuspsi : 3.11s CPU 3.15s WALL ( 5322 calls) General routines calbec : 3.15s CPU 3.27s WALL ( 5322 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.48s CPU 83.61s WALL ( 565940 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.27s WALL ( 568 calls) Parallel routines fft_scatter : 25.56s CPU 26.01s WALL ( 565963 calls) PWSCF : 2m46.18s CPU 3m 3.14s WALL This run was terminated on: 20:48: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=