Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 16:38:17 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: ./NaAg2.save/ 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 69 57 16 2294 1716 255 Max 70 58 17 2299 1735 258 Sum 2515 2065 583 82675 62079 9257 bravais-lattice index = 14 lattice parameter (alat) = 10.5870 a.u. unit-cell volume = 839.0841 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 62.00 number of Kohn-Sham states= 74 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)= 10.587014 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 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 PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) Ag 11.00 107.86820 Ag( 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 =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.2886751 ) ( 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 =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.2886751 ) ( 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 =( 0.7500000 ) ( 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= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0125000 -0.0072169 0.0102062), wk = 0.0036765 k( 3) = ( 0.0250000 -0.0144338 0.0204124), wk = 0.0036765 k( 4) = ( 0.0375000 -0.0216506 0.0306186), wk = 0.0036765 k( 5) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0036765 k( 6) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0036765 k( 7) = ( 0.0750000 -0.0433013 0.0612372), wk = 0.0036765 k( 8) = ( 0.0875000 -0.0505181 0.0714435), wk = 0.0036765 k( 9) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0036765 k( 10) = ( 0.1125000 -0.0649519 0.0918559), wk = 0.0036765 k( 11) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0036765 k( 12) = ( 0.1375000 -0.0793857 0.1122683), wk = 0.0036765 k( 13) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0036765 k( 14) = ( 0.1625000 -0.0938194 0.1326807), wk = 0.0036765 k( 15) = ( 0.1750000 -0.1010363 0.1428869), wk = 0.0036765 k( 16) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0036765 k( 17) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0036765 k( 18) = ( 0.2125000 -0.1226869 0.1735055), wk = 0.0036765 k( 19) = ( 0.2250000 -0.1299038 0.1837117), wk = 0.0036765 k( 20) = ( 0.2375000 -0.1371207 0.1939179), wk = 0.0036765 k( 21) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0036765 k( 22) = ( 0.2625000 -0.1515544 0.2143304), wk = 0.0036765 k( 23) = ( 0.2750000 -0.1587713 0.2245366), wk = 0.0036765 k( 24) = ( 0.2875000 -0.1659882 0.2347428), wk = 0.0036765 k( 25) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0036765 k( 26) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0036765 k( 27) = ( 0.3250000 -0.1876388 0.2653614), wk = 0.0036765 k( 28) = ( 0.3375000 -0.1948557 0.2755676), wk = 0.0036765 k( 29) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0036765 k( 30) = ( 0.3625000 -0.2092895 0.2959800), wk = 0.0036765 k( 31) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0036765 k( 32) = ( 0.3875000 -0.2237232 0.3163924), wk = 0.0036765 k( 33) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0036765 k( 34) = ( 0.4125000 -0.2381570 0.3368048), wk = 0.0036765 k( 35) = ( 0.4250000 -0.2453739 0.3470110), wk = 0.0036765 k( 36) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0036765 k( 37) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0036765 k( 38) = ( 0.4625000 -0.2670245 0.3776297), wk = 0.0036765 k( 39) = ( 0.4750000 -0.2742414 0.3878359), wk = 0.0036765 k( 40) = ( 0.4875000 -0.2814583 0.3980421), wk = 0.0036765 k( 41) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036765 k( 42) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036765 k( 43) = ( 0.5000000 -0.2742414 0.4184545), wk = 0.0036765 k( 44) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0036765 k( 45) = ( 0.5000000 -0.2453739 0.4388669), wk = 0.0036765 k( 46) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0036765 k( 47) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0036765 k( 48) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0036765 k( 49) = ( 0.5000000 -0.1876388 0.4796917), wk = 0.0036765 k( 50) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0036765 k( 51) = ( 0.5000000 -0.1587713 0.5001042), wk = 0.0036765 k( 52) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0036765 k( 53) = ( 0.5000000 -0.1299038 0.5205166), wk = 0.0036765 k( 54) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0036765 k( 55) = ( 0.5000000 -0.1010363 0.5409290), wk = 0.0036765 k( 56) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0036765 k( 57) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0036765 k( 58) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0036765 k( 59) = ( 0.5000000 -0.0433013 0.5817538), wk = 0.0036765 k( 60) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0036765 k( 61) = ( 0.5000000 -0.0144338 0.6021662), wk = 0.0036765 k( 62) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036765 k( 63) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036765 k( 64) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0036765 k( 65) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0036765 k( 66) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0036765 k( 67) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0036765 k( 68) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0036765 k( 69) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0036765 k( 70) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0036765 k( 71) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0036765 k( 72) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0036765 k( 73) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0036765 k( 74) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0036765 k( 75) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0036765 k( 76) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0036765 k( 77) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0036765 k( 78) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036765 k( 79) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036765 k( 80) = ( 0.3662791 0.2114713 0.5981312), wk = 0.0036765 k( 81) = ( 0.3575581 0.2064363 0.5838900), wk = 0.0036765 k( 82) = ( 0.3488372 0.2014013 0.5696488), wk = 0.0036765 k( 83) = ( 0.3401163 0.1963662 0.5554076), wk = 0.0036765 k( 84) = ( 0.3313953 0.1913312 0.5411663), wk = 0.0036765 k( 85) = ( 0.3226744 0.1862962 0.5269251), wk = 0.0036765 k( 86) = ( 0.3139535 0.1812611 0.5126839), wk = 0.0036765 k( 87) = ( 0.3052326 0.1762261 0.4984427), wk = 0.0036765 k( 88) = ( 0.2965116 0.1711911 0.4842015), wk = 0.0036765 k( 89) = ( 0.2877907 0.1661560 0.4699602), wk = 0.0036765 k( 90) = ( 0.2790698 0.1611210 0.4557190), wk = 0.0036765 k( 91) = ( 0.2703488 0.1560860 0.4414778), wk = 0.0036765 k( 92) = ( 0.2616279 0.1510509 0.4272366), wk = 0.0036765 k( 93) = ( 0.2529070 0.1460159 0.4129954), wk = 0.0036765 k( 94) = ( 0.2441860 0.1409809 0.3987541), wk = 0.0036765 k( 95) = ( 0.2354651 0.1359459 0.3845129), wk = 0.0036765 k( 96) = ( 0.2267442 0.1309108 0.3702717), wk = 0.0036765 k( 97) = ( 0.2180233 0.1258758 0.3560305), wk = 0.0036765 k( 98) = ( 0.2093023 0.1208408 0.3417893), wk = 0.0036765 k( 99) = ( 0.2005814 0.1158057 0.3275480), wk = 0.0036765 k( 100) = ( 0.1918605 0.1107707 0.3133068), wk = 0.0036765 k( 101) = ( 0.1831395 0.1057357 0.2990656), wk = 0.0036765 k( 102) = ( 0.1744186 0.1007006 0.2848244), wk = 0.0036765 k( 103) = ( 0.1656977 0.0956656 0.2705832), wk = 0.0036765 k( 104) = ( 0.1569767 0.0906306 0.2563420), wk = 0.0036765 k( 105) = ( 0.1482558 0.0855955 0.2421007), wk = 0.0036765 k( 106) = ( 0.1395349 0.0805605 0.2278595), wk = 0.0036765 k( 107) = ( 0.1308140 0.0755255 0.2136183), wk = 0.0036765 k( 108) = ( 0.1220930 0.0704904 0.1993771), wk = 0.0036765 k( 109) = ( 0.1133721 0.0654554 0.1851359), wk = 0.0036765 k( 110) = ( 0.1046512 0.0604204 0.1708946), wk = 0.0036765 k( 111) = ( 0.0959302 0.0553853 0.1566534), wk = 0.0036765 k( 112) = ( 0.0872093 0.0503503 0.1424122), wk = 0.0036765 k( 113) = ( 0.0784884 0.0453153 0.1281710), wk = 0.0036765 k( 114) = ( 0.0697674 0.0402803 0.1139298), wk = 0.0036765 k( 115) = ( 0.0610465 0.0352452 0.0996885), wk = 0.0036765 k( 116) = ( 0.0523256 0.0302102 0.0854473), wk = 0.0036765 k( 117) = ( 0.0436047 0.0251752 0.0712061), wk = 0.0036765 k( 118) = ( 0.0348837 0.0201401 0.0569649), wk = 0.0036765 k( 119) = ( 0.0261628 0.0151051 0.0427237), wk = 0.0036765 k( 120) = ( 0.0174419 0.0100701 0.0284824), wk = 0.0036765 k( 121) = ( 0.0087209 0.0050350 0.0142412), wk = 0.0036765 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 124) = ( 0.0142857 0.0082479 0.0058321), wk = 0.0036765 k( 125) = ( 0.0285714 0.0164957 0.0116642), wk = 0.0036765 k( 126) = ( 0.0428571 0.0247436 0.0174964), wk = 0.0036765 k( 127) = ( 0.0571429 0.0329914 0.0233285), wk = 0.0036765 k( 128) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0036765 k( 129) = ( 0.0857143 0.0494872 0.0349927), wk = 0.0036765 k( 130) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0036765 k( 131) = ( 0.1142857 0.0659829 0.0466569), wk = 0.0036765 k( 132) = ( 0.1285714 0.0742307 0.0524891), wk = 0.0036765 k( 133) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0036765 k( 134) = ( 0.1571429 0.0907265 0.0641533), wk = 0.0036765 k( 135) = ( 0.1714286 0.0989743 0.0699854), wk = 0.0036765 k( 136) = ( 0.1857143 0.1072222 0.0758175), wk = 0.0036765 k( 137) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0036765 k( 138) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0036765 k( 139) = ( 0.2285714 0.1319658 0.0933139), wk = 0.0036765 k( 140) = ( 0.2428571 0.1402136 0.0991460), wk = 0.0036765 k( 141) = ( 0.2571429 0.1484615 0.1049781), wk = 0.0036765 k( 142) = ( 0.2714286 0.1567094 0.1108102), wk = 0.0036765 k( 143) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0036765 k( 144) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0036765 k( 145) = ( 0.3142857 0.1814529 0.1283066), wk = 0.0036765 k( 146) = ( 0.3285714 0.1897008 0.1341387), wk = 0.0036765 k( 147) = ( 0.3428571 0.1979487 0.1399708), wk = 0.0036765 k( 148) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0036765 k( 149) = ( 0.3714286 0.2144444 0.1516351), wk = 0.0036765 k( 150) = ( 0.3857143 0.2226922 0.1574672), wk = 0.0036765 k( 151) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0036765 k( 152) = ( 0.4142857 0.2391880 0.1691314), wk = 0.0036765 k( 153) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0036765 k( 154) = ( 0.4428571 0.2556837 0.1807957), wk = 0.0036765 k( 155) = ( 0.4571429 0.2639316 0.1866278), wk = 0.0036765 k( 156) = ( 0.4714286 0.2721794 0.1924599), wk = 0.0036765 k( 157) = ( 0.4857143 0.2804273 0.1982920), wk = 0.0036765 k( 158) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036765 k( 159) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036765 k( 160) = ( 0.5050000 0.2742414 0.2122891), wk = 0.0036765 k( 161) = ( 0.5100000 0.2598076 0.2204541), wk = 0.0036765 k( 162) = ( 0.5150000 0.2453739 0.2286190), wk = 0.0036765 k( 163) = ( 0.5200000 0.2309401 0.2367840), wk = 0.0036765 k( 164) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0036765 k( 165) = ( 0.5300000 0.2020726 0.2531139), wk = 0.0036765 k( 166) = ( 0.5350000 0.1876388 0.2612789), wk = 0.0036765 k( 167) = ( 0.5400000 0.1732051 0.2694439), wk = 0.0036765 k( 168) = ( 0.5450000 0.1587713 0.2776088), wk = 0.0036765 k( 169) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0036765 k( 170) = ( 0.5550000 0.1299038 0.2939388), wk = 0.0036765 k( 171) = ( 0.5600000 0.1154701 0.3021037), wk = 0.0036765 k( 172) = ( 0.5650000 0.1010363 0.3102687), wk = 0.0036765 k( 173) = ( 0.5700000 0.0866025 0.3184337), wk = 0.0036765 k( 174) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0036765 k( 175) = ( 0.5800000 0.0577350 0.3347636), wk = 0.0036765 k( 176) = ( 0.5850000 0.0433013 0.3429286), wk = 0.0036765 k( 177) = ( 0.5900000 0.0288675 0.3510935), wk = 0.0036765 k( 178) = ( 0.5950000 0.0144338 0.3592585), wk = 0.0036765 k( 179) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0036765 k( 180) = ( 0.6050000 -0.0144338 0.3755884), wk = 0.0036765 k( 181) = ( 0.6100000 -0.0288675 0.3837534), wk = 0.0036765 k( 182) = ( 0.6150000 -0.0433013 0.3919184), wk = 0.0036765 k( 183) = ( 0.6200000 -0.0577350 0.4000833), wk = 0.0036765 k( 184) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036765 k( 185) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036765 k( 186) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0036765 k( 187) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0036765 k( 188) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0036765 k( 189) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0036765 k( 190) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0036765 k( 191) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0036765 k( 192) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0036765 k( 193) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0036765 k( 194) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0036765 k( 195) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0036765 k( 196) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0036765 k( 197) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0036765 k( 198) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0036765 k( 199) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0036765 k( 200) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036765 k( 201) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036765 k( 202) = ( 0.5000000 0.0099543 0.5982949), wk = 0.0036765 k( 203) = ( 0.5000000 0.0199086 0.5842174), wk = 0.0036765 k( 204) = ( 0.5000000 0.0298629 0.5701399), wk = 0.0036765 k( 205) = ( 0.5000000 0.0398173 0.5560623), wk = 0.0036765 k( 206) = ( 0.5000000 0.0497716 0.5419848), wk = 0.0036765 k( 207) = ( 0.5000000 0.0597259 0.5279073), wk = 0.0036765 k( 208) = ( 0.5000000 0.0696802 0.5138297), wk = 0.0036765 k( 209) = ( 0.5000000 0.0796345 0.4997522), wk = 0.0036765 k( 210) = ( 0.5000000 0.0895888 0.4856747), wk = 0.0036765 k( 211) = ( 0.5000000 0.0995432 0.4715972), wk = 0.0036765 k( 212) = ( 0.5000000 0.1094975 0.4575196), wk = 0.0036765 k( 213) = ( 0.5000000 0.1194518 0.4434421), wk = 0.0036765 k( 214) = ( 0.5000000 0.1294061 0.4293646), wk = 0.0036765 k( 215) = ( 0.5000000 0.1393604 0.4152870), wk = 0.0036765 k( 216) = ( 0.5000000 0.1493147 0.4012095), wk = 0.0036765 k( 217) = ( 0.5000000 0.1592690 0.3871320), wk = 0.0036765 k( 218) = ( 0.5000000 0.1692233 0.3730545), wk = 0.0036765 k( 219) = ( 0.5000000 0.1791777 0.3589770), wk = 0.0036765 k( 220) = ( 0.5000000 0.1891320 0.3448994), wk = 0.0036765 k( 221) = ( 0.5000000 0.1990863 0.3308219), wk = 0.0036765 k( 222) = ( 0.5000000 0.2090406 0.3167444), wk = 0.0036765 k( 223) = ( 0.5000000 0.2189949 0.3026668), wk = 0.0036765 k( 224) = ( 0.5000000 0.2289492 0.2885893), wk = 0.0036765 k( 225) = ( 0.5000000 0.2389036 0.2745118), wk = 0.0036765 k( 226) = ( 0.5000000 0.2488579 0.2604343), wk = 0.0036765 k( 227) = ( 0.5000000 0.2588122 0.2463567), wk = 0.0036765 k( 228) = ( 0.5000000 0.2687665 0.2322792), wk = 0.0036765 k( 229) = ( 0.5000000 0.2787208 0.2182017), wk = 0.0036765 k( 230) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036765 k( 231) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036765 k( 232) = ( 0.4950000 0.2857884 0.2204541), wk = 0.0036765 k( 233) = ( 0.4900000 0.2829016 0.2367840), wk = 0.0036765 k( 234) = ( 0.4850000 0.2800149 0.2531139), wk = 0.0036765 k( 235) = ( 0.4800000 0.2771281 0.2694439), wk = 0.0036765 k( 236) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0036765 k( 237) = ( 0.4700000 0.2713546 0.3021037), wk = 0.0036765 k( 238) = ( 0.4650000 0.2684679 0.3184337), wk = 0.0036765 k( 239) = ( 0.4600000 0.2655811 0.3347636), wk = 0.0036765 k( 240) = ( 0.4550000 0.2626944 0.3510935), wk = 0.0036765 k( 241) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0036765 k( 242) = ( 0.4450000 0.2569209 0.3837534), wk = 0.0036765 k( 243) = ( 0.4400000 0.2540341 0.4000833), wk = 0.0036765 k( 244) = ( 0.4350000 0.2511474 0.4164133), wk = 0.0036765 k( 245) = ( 0.4300000 0.2482606 0.4327432), wk = 0.0036765 k( 246) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0036765 k( 247) = ( 0.4200000 0.2424871 0.4654031), wk = 0.0036765 k( 248) = ( 0.4150000 0.2396004 0.4817330), wk = 0.0036765 k( 249) = ( 0.4100000 0.2367136 0.4980629), wk = 0.0036765 k( 250) = ( 0.4050000 0.2338269 0.5143928), wk = 0.0036765 k( 251) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0036765 k( 252) = ( 0.3950000 0.2280534 0.5470527), wk = 0.0036765 k( 253) = ( 0.3900000 0.2251666 0.5633826), wk = 0.0036765 k( 254) = ( 0.3850000 0.2222799 0.5797126), wk = 0.0036765 k( 255) = ( 0.3800000 0.2193931 0.5960425), wk = 0.0036765 k( 256) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036765 k( 257) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036765 k( 258) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0036765 k( 259) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0036765 k( 260) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0036765 k( 261) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0036765 k( 262) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0036765 k( 263) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0036765 k( 264) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0036765 k( 265) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0036765 k( 266) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0036765 k( 267) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0036765 k( 268) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0036765 k( 269) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0036765 k( 270) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0036765 k( 271) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0036765 k( 272) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0125000 0.0000000 0.0125000), wk = 0.0036765 k( 3) = ( 0.0250000 0.0000000 0.0250000), wk = 0.0036765 k( 4) = ( 0.0375000 0.0000000 0.0375000), wk = 0.0036765 k( 5) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0036765 k( 6) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0036765 k( 7) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0036765 k( 8) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0036765 k( 9) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0036765 k( 10) = ( 0.1125000 0.0000000 0.1125000), wk = 0.0036765 k( 11) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0036765 k( 12) = ( 0.1375000 0.0000000 0.1375000), wk = 0.0036765 k( 13) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0036765 k( 14) = ( 0.1625000 0.0000000 0.1625000), wk = 0.0036765 k( 15) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0036765 k( 16) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0036765 k( 17) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0036765 k( 18) = ( 0.2125000 0.0000000 0.2125000), wk = 0.0036765 k( 19) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0036765 k( 20) = ( 0.2375000 0.0000000 0.2375000), wk = 0.0036765 k( 21) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0036765 k( 22) = ( 0.2625000 0.0000000 0.2625000), wk = 0.0036765 k( 23) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0036765 k( 24) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0036765 k( 25) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0036765 k( 26) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0036765 k( 27) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0036765 k( 28) = ( 0.3375000 0.0000000 0.3375000), wk = 0.0036765 k( 29) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0036765 k( 30) = ( 0.3625000 0.0000000 0.3625000), wk = 0.0036765 k( 31) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0036765 k( 32) = ( 0.3875000 0.0000000 0.3875000), wk = 0.0036765 k( 33) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0036765 k( 34) = ( 0.4125000 0.0000000 0.4125000), wk = 0.0036765 k( 35) = ( 0.4250000 0.0000000 0.4250000), wk = 0.0036765 k( 36) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0036765 k( 37) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0036765 k( 38) = ( 0.4625000 0.0000000 0.4625000), wk = 0.0036765 k( 39) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0036765 k( 40) = ( 0.4875000 0.0000000 0.4875000), wk = 0.0036765 k( 41) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 42) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 43) = ( 0.5000000 0.0125000 0.5125000), wk = 0.0036765 k( 44) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0036765 k( 45) = ( 0.5000000 0.0375000 0.5375000), wk = 0.0036765 k( 46) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0036765 k( 47) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0036765 k( 48) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0036765 k( 49) = ( 0.5000000 0.0875000 0.5875000), wk = 0.0036765 k( 50) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0036765 k( 51) = ( 0.5000000 0.1125000 0.6125000), wk = 0.0036765 k( 52) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0036765 k( 53) = ( 0.5000000 0.1375000 0.6375000), wk = 0.0036765 k( 54) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0036765 k( 55) = ( 0.5000000 0.1625000 0.6625000), wk = 0.0036765 k( 56) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0036765 k( 57) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0036765 k( 58) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0036765 k( 59) = ( 0.5000000 0.2125000 0.7125000), wk = 0.0036765 k( 60) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0036765 k( 61) = ( 0.5000000 0.2375000 0.7375000), wk = 0.0036765 k( 62) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036765 k( 63) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036765 k( 64) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0036765 k( 65) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0036765 k( 66) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0036765 k( 67) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0036765 k( 68) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0036765 k( 69) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0036765 k( 70) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0036765 k( 71) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0036765 k( 72) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0036765 k( 73) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0036765 k( 74) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0036765 k( 75) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0036765 k( 76) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0036765 k( 77) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0036765 k( 78) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036765 k( 79) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036765 k( 80) = ( 0.3662791 0.3662791 0.7325581), wk = 0.0036765 k( 81) = ( 0.3575581 0.3575581 0.7151163), wk = 0.0036765 k( 82) = ( 0.3488372 0.3488372 0.6976744), wk = 0.0036765 k( 83) = ( 0.3401163 0.3401163 0.6802326), wk = 0.0036765 k( 84) = ( 0.3313953 0.3313953 0.6627907), wk = 0.0036765 k( 85) = ( 0.3226744 0.3226744 0.6453488), wk = 0.0036765 k( 86) = ( 0.3139535 0.3139535 0.6279070), wk = 0.0036765 k( 87) = ( 0.3052326 0.3052326 0.6104651), wk = 0.0036765 k( 88) = ( 0.2965116 0.2965116 0.5930233), wk = 0.0036765 k( 89) = ( 0.2877907 0.2877907 0.5755814), wk = 0.0036765 k( 90) = ( 0.2790698 0.2790698 0.5581395), wk = 0.0036765 k( 91) = ( 0.2703488 0.2703488 0.5406977), wk = 0.0036765 k( 92) = ( 0.2616279 0.2616279 0.5232558), wk = 0.0036765 k( 93) = ( 0.2529070 0.2529070 0.5058139), wk = 0.0036765 k( 94) = ( 0.2441860 0.2441860 0.4883721), wk = 0.0036765 k( 95) = ( 0.2354651 0.2354651 0.4709302), wk = 0.0036765 k( 96) = ( 0.2267442 0.2267442 0.4534884), wk = 0.0036765 k( 97) = ( 0.2180233 0.2180233 0.4360465), wk = 0.0036765 k( 98) = ( 0.2093023 0.2093023 0.4186047), wk = 0.0036765 k( 99) = ( 0.2005814 0.2005814 0.4011628), wk = 0.0036765 k( 100) = ( 0.1918605 0.1918605 0.3837209), wk = 0.0036765 k( 101) = ( 0.1831395 0.1831395 0.3662791), wk = 0.0036765 k( 102) = ( 0.1744186 0.1744186 0.3488372), wk = 0.0036765 k( 103) = ( 0.1656977 0.1656977 0.3313953), wk = 0.0036765 k( 104) = ( 0.1569767 0.1569767 0.3139535), wk = 0.0036765 k( 105) = ( 0.1482558 0.1482558 0.2965116), wk = 0.0036765 k( 106) = ( 0.1395349 0.1395349 0.2790698), wk = 0.0036765 k( 107) = ( 0.1308140 0.1308140 0.2616279), wk = 0.0036765 k( 108) = ( 0.1220930 0.1220930 0.2441861), wk = 0.0036765 k( 109) = ( 0.1133721 0.1133721 0.2267442), wk = 0.0036765 k( 110) = ( 0.1046512 0.1046512 0.2093023), wk = 0.0036765 k( 111) = ( 0.0959302 0.0959302 0.1918605), wk = 0.0036765 k( 112) = ( 0.0872093 0.0872093 0.1744186), wk = 0.0036765 k( 113) = ( 0.0784884 0.0784884 0.1569767), wk = 0.0036765 k( 114) = ( 0.0697674 0.0697674 0.1395349), wk = 0.0036765 k( 115) = ( 0.0610465 0.0610465 0.1220930), wk = 0.0036765 k( 116) = ( 0.0523256 0.0523256 0.1046512), wk = 0.0036765 k( 117) = ( 0.0436047 0.0436047 0.0872093), wk = 0.0036765 k( 118) = ( 0.0348837 0.0348837 0.0697674), wk = 0.0036765 k( 119) = ( 0.0261628 0.0261628 0.0523256), wk = 0.0036765 k( 120) = ( 0.0174419 0.0174419 0.0348837), wk = 0.0036765 k( 121) = ( 0.0087209 0.0087209 0.0174419), wk = 0.0036765 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 124) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0036765 k( 125) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0036765 k( 126) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0036765 k( 127) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0036765 k( 128) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0036765 k( 129) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0036765 k( 130) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0036765 k( 131) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0036765 k( 132) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0036765 k( 133) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0036765 k( 134) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0036765 k( 135) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0036765 k( 136) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0036765 k( 137) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0036765 k( 138) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0036765 k( 139) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0036765 k( 140) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0036765 k( 141) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0036765 k( 142) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0036765 k( 143) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0036765 k( 144) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0036765 k( 145) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0036765 k( 146) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0036765 k( 147) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0036765 k( 148) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0036765 k( 149) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0036765 k( 150) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0036765 k( 151) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0036765 k( 152) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0036765 k( 153) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0036765 k( 154) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0036765 k( 155) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0036765 k( 156) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0036765 k( 157) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0036765 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 160) = ( 0.5050000 0.4900000 0.5050000), wk = 0.0036765 k( 161) = ( 0.5100000 0.4800000 0.5100000), wk = 0.0036765 k( 162) = ( 0.5150000 0.4700000 0.5150000), wk = 0.0036765 k( 163) = ( 0.5200000 0.4600000 0.5200000), wk = 0.0036765 k( 164) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0036765 k( 165) = ( 0.5300000 0.4400000 0.5300000), wk = 0.0036765 k( 166) = ( 0.5350000 0.4300000 0.5350000), wk = 0.0036765 k( 167) = ( 0.5400000 0.4200000 0.5400000), wk = 0.0036765 k( 168) = ( 0.5450000 0.4100000 0.5450000), wk = 0.0036765 k( 169) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0036765 k( 170) = ( 0.5550000 0.3900000 0.5550000), wk = 0.0036765 k( 171) = ( 0.5600000 0.3800000 0.5600000), wk = 0.0036765 k( 172) = ( 0.5650000 0.3700000 0.5650000), wk = 0.0036765 k( 173) = ( 0.5700000 0.3600000 0.5700000), wk = 0.0036765 k( 174) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0036765 k( 175) = ( 0.5800000 0.3400000 0.5800000), wk = 0.0036765 k( 176) = ( 0.5850000 0.3300000 0.5850000), wk = 0.0036765 k( 177) = ( 0.5900000 0.3200000 0.5900000), wk = 0.0036765 k( 178) = ( 0.5950000 0.3100000 0.5950000), wk = 0.0036765 k( 179) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0036765 k( 180) = ( 0.6050000 0.2900000 0.6050000), wk = 0.0036765 k( 181) = ( 0.6100000 0.2800000 0.6100000), wk = 0.0036765 k( 182) = ( 0.6150000 0.2700000 0.6150000), wk = 0.0036765 k( 183) = ( 0.6200000 0.2600000 0.6200000), wk = 0.0036765 k( 184) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036765 k( 185) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036765 k( 186) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0036765 k( 187) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0036765 k( 188) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0036765 k( 189) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0036765 k( 190) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0036765 k( 191) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0036765 k( 192) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0036765 k( 193) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0036765 k( 194) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0036765 k( 195) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0036765 k( 196) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0036765 k( 197) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0036765 k( 198) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0036765 k( 199) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0036765 k( 200) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036765 k( 201) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036765 k( 202) = ( 0.5000000 0.2586207 0.7413793), wk = 0.0036765 k( 203) = ( 0.5000000 0.2672414 0.7327586), wk = 0.0036765 k( 204) = ( 0.5000000 0.2758621 0.7241379), wk = 0.0036765 k( 205) = ( 0.5000000 0.2844828 0.7155172), wk = 0.0036765 k( 206) = ( 0.5000000 0.2931035 0.7068966), wk = 0.0036765 k( 207) = ( 0.5000000 0.3017241 0.6982759), wk = 0.0036765 k( 208) = ( 0.5000000 0.3103448 0.6896552), wk = 0.0036765 k( 209) = ( 0.5000000 0.3189655 0.6810345), wk = 0.0036765 k( 210) = ( 0.5000000 0.3275862 0.6724138), wk = 0.0036765 k( 211) = ( 0.5000000 0.3362069 0.6637931), wk = 0.0036765 k( 212) = ( 0.5000000 0.3448276 0.6551724), wk = 0.0036765 k( 213) = ( 0.5000000 0.3534483 0.6465517), wk = 0.0036765 k( 214) = ( 0.5000000 0.3620690 0.6379310), wk = 0.0036765 k( 215) = ( 0.5000000 0.3706897 0.6293103), wk = 0.0036765 k( 216) = ( 0.5000000 0.3793103 0.6206897), wk = 0.0036765 k( 217) = ( 0.5000000 0.3879310 0.6120690), wk = 0.0036765 k( 218) = ( 0.5000000 0.3965517 0.6034483), wk = 0.0036765 k( 219) = ( 0.5000000 0.4051724 0.5948276), wk = 0.0036765 k( 220) = ( 0.5000000 0.4137931 0.5862069), wk = 0.0036765 k( 221) = ( 0.5000000 0.4224138 0.5775862), wk = 0.0036765 k( 222) = ( 0.5000000 0.4310345 0.5689655), wk = 0.0036765 k( 223) = ( 0.5000000 0.4396552 0.5603448), wk = 0.0036765 k( 224) = ( 0.5000000 0.4482759 0.5517241), wk = 0.0036765 k( 225) = ( 0.5000000 0.4568966 0.5431035), wk = 0.0036765 k( 226) = ( 0.5000000 0.4655172 0.5344828), wk = 0.0036765 k( 227) = ( 0.5000000 0.4741379 0.5258621), wk = 0.0036765 k( 228) = ( 0.5000000 0.4827586 0.5172414), wk = 0.0036765 k( 229) = ( 0.5000000 0.4913793 0.5086207), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 232) = ( 0.4950000 0.4950000 0.5100000), wk = 0.0036765 k( 233) = ( 0.4900000 0.4900000 0.5200000), wk = 0.0036765 k( 234) = ( 0.4850000 0.4850000 0.5300000), wk = 0.0036765 k( 235) = ( 0.4800000 0.4800000 0.5400000), wk = 0.0036765 k( 236) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0036765 k( 237) = ( 0.4700000 0.4700000 0.5600000), wk = 0.0036765 k( 238) = ( 0.4650000 0.4650000 0.5700000), wk = 0.0036765 k( 239) = ( 0.4600000 0.4600000 0.5800000), wk = 0.0036765 k( 240) = ( 0.4550000 0.4550000 0.5900000), wk = 0.0036765 k( 241) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0036765 k( 242) = ( 0.4450000 0.4450000 0.6100000), wk = 0.0036765 k( 243) = ( 0.4400000 0.4400000 0.6200000), wk = 0.0036765 k( 244) = ( 0.4350000 0.4350000 0.6300000), wk = 0.0036765 k( 245) = ( 0.4300000 0.4300000 0.6400000), wk = 0.0036765 k( 246) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0036765 k( 247) = ( 0.4200000 0.4200000 0.6600000), wk = 0.0036765 k( 248) = ( 0.4150000 0.4150000 0.6700000), wk = 0.0036765 k( 249) = ( 0.4100000 0.4100000 0.6800000), wk = 0.0036765 k( 250) = ( 0.4050000 0.4050000 0.6900000), wk = 0.0036765 k( 251) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0036765 k( 252) = ( 0.3950000 0.3950000 0.7100000), wk = 0.0036765 k( 253) = ( 0.3900000 0.3900000 0.7200000), wk = 0.0036765 k( 254) = ( 0.3850000 0.3850000 0.7300000), wk = 0.0036765 k( 255) = ( 0.3800000 0.3800000 0.7400000), wk = 0.0036765 k( 256) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036765 k( 257) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036765 k( 258) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0036765 k( 259) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0036765 k( 260) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0036765 k( 261) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0036765 k( 262) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0036765 k( 263) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0036765 k( 264) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0036765 k( 265) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0036765 k( 266) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0036765 k( 267) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0036765 k( 268) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0036765 k( 269) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0036765 k( 270) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0036765 k( 271) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0036765 k( 272) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 Dense grid: 82675 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 62079 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 464, 74) NL pseudopotentials 0.58 Mb ( 232, 164) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2299) G-vector shells 0.00 Mb ( 533) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.10 Mb ( 464, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.37 Mb ( 164, 2, 74) The potential is recalculated from file : ./NaAg2.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.4 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.4 secs Computing kpt #: 13 total cpu time spent up to now is 14.4 secs Computing kpt #: 14 total cpu time spent up to now is 15.4 secs Computing kpt #: 15 total cpu time spent up to now is 16.4 secs Computing kpt #: 16 total cpu time spent up to now is 17.4 secs Computing kpt #: 17 total cpu time spent up to now is 18.4 secs Computing kpt #: 18 total cpu time spent up to now is 19.5 secs Computing kpt #: 19 total cpu time spent up to now is 20.5 secs Computing kpt #: 20 total cpu time spent up to now is 21.6 secs Computing kpt #: 21 total cpu time spent up to now is 22.6 secs Computing kpt #: 22 total cpu time spent up to now is 23.7 secs Computing kpt #: 23 total cpu time spent up to now is 24.7 secs Computing kpt #: 24 total cpu time spent up to now is 25.8 secs Computing kpt #: 25 total cpu time spent up to now is 26.9 secs Computing kpt #: 26 total cpu time spent up to now is 28.1 secs Computing kpt #: 27 total cpu time spent up to now is 29.4 secs Computing kpt #: 28 total cpu time spent up to now is 30.6 secs Computing kpt #: 29 total cpu time spent up to now is 31.8 secs Computing kpt #: 30 total cpu time spent up to now is 33.0 secs Computing kpt #: 31 total cpu time spent up to now is 34.3 secs Computing kpt #: 32 total cpu time spent up to now is 35.6 secs Computing kpt #: 33 total cpu time spent up to now is 36.9 secs Computing kpt #: 34 total cpu time spent up to now is 38.5 secs Computing kpt #: 35 total cpu time spent up to now is 40.1 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.0 secs Computing kpt #: 37 total cpu time spent up to now is 45.1 secs Computing kpt #: 38 total cpu time spent up to now is 46.3 secs Computing kpt #: 39 total cpu time spent up to now is 47.9 secs Computing kpt #: 40 total cpu time spent up to now is 49.5 secs Computing kpt #: 41 total cpu time spent up to now is 51.1 secs Computing kpt #: 42 total cpu time spent up to now is 52.7 secs Computing kpt #: 43 total cpu time spent up to now is 54.7 secs Computing kpt #: 44 total cpu time spent up to now is 56.2 secs Computing kpt #: 45 total cpu time spent up to now is 57.6 secs Computing kpt #: 46 total cpu time spent up to now is 59.2 secs Computing kpt #: 47 total cpu time spent up to now is 60.6 secs Computing kpt #: 48 total cpu time spent up to now is 62.0 secs Computing kpt #: 49 total cpu time spent up to now is 63.4 secs Computing kpt #: 50 total cpu time spent up to now is 64.7 secs Computing kpt #: 51 total cpu time spent up to now is 65.9 secs Computing kpt #: 52 total cpu time spent up to now is 67.2 secs Computing kpt #: 53 total cpu time spent up to now is 68.4 secs Computing kpt #: 54 total cpu time spent up to now is 69.7 secs Computing kpt #: 55 total cpu time spent up to now is 71.1 secs Computing kpt #: 56 total cpu time spent up to now is 72.4 secs Computing kpt #: 57 total cpu time spent up to now is 73.7 secs Computing kpt #: 58 total cpu time spent up to now is 75.0 secs Computing kpt #: 59 total cpu time spent up to now is 76.3 secs Computing kpt #: 60 total cpu time spent up to now is 77.6 secs Computing kpt #: 61 total cpu time spent up to now is 78.9 secs Computing kpt #: 62 total cpu time spent up to now is 80.2 secs Computing kpt #: 63 total cpu time spent up to now is 81.5 secs Computing kpt #: 64 total cpu time spent up to now is 82.7 secs Computing kpt #: 65 total cpu time spent up to now is 84.0 secs Computing kpt #: 66 total cpu time spent up to now is 85.2 secs Computing kpt #: 67 total cpu time spent up to now is 86.4 secs Computing kpt #: 68 total cpu time spent up to now is 87.6 secs Computing kpt #: 69 total cpu time spent up to now is 88.8 secs Computing kpt #: 70 total cpu time spent up to now is 90.0 secs Computing kpt #: 71 total cpu time spent up to now is 91.2 secs Computing kpt #: 72 total cpu time spent up to now is 92.4 secs Computing kpt #: 73 total cpu time spent up to now is 93.6 secs Computing kpt #: 74 total cpu time spent up to now is 94.6 secs Computing kpt #: 75 total cpu time spent up to now is 95.7 secs Computing kpt #: 76 total cpu time spent up to now is 96.7 secs Computing kpt #: 77 total cpu time spent up to now is 97.8 secs Computing kpt #: 78 total cpu time spent up to now is 98.8 secs Computing kpt #: 79 total cpu time spent up to now is 99.8 secs Computing kpt #: 80 total cpu time spent up to now is 100.8 secs Computing kpt #: 81 total cpu time spent up to now is 101.7 secs Computing kpt #: 82 total cpu time spent up to now is 102.7 secs Computing kpt #: 83 total cpu time spent up to now is 103.7 secs Computing kpt #: 84 total cpu time spent up to now is 104.6 secs Computing kpt #: 85 total cpu time spent up to now is 105.6 secs Computing kpt #: 86 total cpu time spent up to now is 106.5 secs Computing kpt #: 87 total cpu time spent up to now is 107.5 secs Computing kpt #: 88 total cpu time spent up to now is 108.4 secs Computing kpt #: 89 total cpu time spent up to now is 109.5 secs Computing kpt #: 90 total cpu time spent up to now is 110.5 secs Computing kpt #: 91 total cpu time spent up to now is 111.5 secs Computing kpt #: 92 total cpu time spent up to now is 112.5 secs Computing kpt #: 93 total cpu time spent up to now is 113.4 secs Computing kpt #: 94 total cpu time spent up to now is 114.4 secs Computing kpt #: 95 total cpu time spent up to now is 115.3 secs Computing kpt #: 96 total cpu time spent up to now is 116.3 secs Computing kpt #: 97 total cpu time spent up to now is 117.2 secs Computing kpt #: 98 total cpu time spent up to now is 118.2 secs Computing kpt #: 99 total cpu time spent up to now is 119.1 secs Computing kpt #: 100 total cpu time spent up to now is 120.0 secs Computing kpt #: 101 total cpu time spent up to now is 120.9 secs Computing kpt #: 102 total cpu time spent up to now is 121.9 secs Computing kpt #: 103 total cpu time spent up to now is 122.8 secs Computing kpt #: 104 total cpu time spent up to now is 123.7 secs Computing kpt #: 105 total cpu time spent up to now is 124.7 secs Computing kpt #: 106 total cpu time spent up to now is 125.6 secs Computing kpt #: 107 total cpu time spent up to now is 126.5 secs Computing kpt #: 108 total cpu time spent up to now is 127.5 secs Computing kpt #: 109 total cpu time spent up to now is 128.4 secs Computing kpt #: 110 total cpu time spent up to now is 129.4 secs Computing kpt #: 111 total cpu time spent up to now is 130.3 secs Computing kpt #: 112 total cpu time spent up to now is 131.3 secs Computing kpt #: 113 total cpu time spent up to now is 132.2 secs Computing kpt #: 114 total cpu time spent up to now is 133.1 secs Computing kpt #: 115 total cpu time spent up to now is 134.1 secs Computing kpt #: 116 total cpu time spent up to now is 135.0 secs Computing kpt #: 117 total cpu time spent up to now is 136.1 secs Computing kpt #: 118 total cpu time spent up to now is 137.1 secs Computing kpt #: 119 total cpu time spent up to now is 138.1 secs Computing kpt #: 120 total cpu time spent up to now is 139.1 secs Computing kpt #: 121 total cpu time spent up to now is 140.1 secs Computing kpt #: 122 total cpu time spent up to now is 141.2 secs Computing kpt #: 123 total cpu time spent up to now is 142.3 secs Computing kpt #: 124 total cpu time spent up to now is 143.5 secs Computing kpt #: 125 total cpu time spent up to now is 144.5 secs Computing kpt #: 126 total cpu time spent up to now is 145.5 secs Computing kpt #: 127 total cpu time spent up to now is 146.5 secs Computing kpt #: 128 total cpu time spent up to now is 147.5 secs Computing kpt #: 129 total cpu time spent up to now is 148.5 secs Computing kpt #: 130 total cpu time spent up to now is 149.4 secs Computing kpt #: 131 total cpu time spent up to now is 150.4 secs Computing kpt #: 132 total cpu time spent up to now is 151.4 secs Computing kpt #: 133 total cpu time spent up to now is 152.3 secs Computing kpt #: 134 total cpu time spent up to now is 153.3 secs Computing kpt #: 135 total cpu time spent up to now is 154.3 secs Computing kpt #: 136 total cpu time spent up to now is 155.2 secs Computing kpt #: 137 total cpu time spent up to now is 156.2 secs Computing kpt #: 138 total cpu time spent up to now is 157.2 secs Computing kpt #: 139 total cpu time spent up to now is 158.2 secs Computing kpt #: 140 total cpu time spent up to now is 159.1 secs Computing kpt #: 141 total cpu time spent up to now is 160.2 secs Computing kpt #: 142 total cpu time spent up to now is 161.2 secs Computing kpt #: 143 total cpu time spent up to now is 162.2 secs Computing kpt #: 144 total cpu time spent up to now is 163.2 secs Computing kpt #: 145 total cpu time spent up to now is 164.2 secs Computing kpt #: 146 total cpu time spent up to now is 165.2 secs Computing kpt #: 147 total cpu time spent up to now is 166.2 secs Computing kpt #: 148 total cpu time spent up to now is 167.2 secs Computing kpt #: 149 total cpu time spent up to now is 168.1 secs Computing kpt #: 150 total cpu time spent up to now is 169.3 secs Computing kpt #: 151 total cpu time spent up to now is 170.4 secs Computing kpt #: 152 total cpu time spent up to now is 171.6 secs Computing kpt #: 153 total cpu time spent up to now is 172.7 secs Computing kpt #: 154 total cpu time spent up to now is 173.9 secs Computing kpt #: 155 total cpu time spent up to now is 175.0 secs Computing kpt #: 156 total cpu time spent up to now is 176.1 secs Computing kpt #: 157 total cpu time spent up to now is 177.3 secs Computing kpt #: 158 total cpu time spent up to now is 178.4 secs Computing kpt #: 159 total cpu time spent up to now is 179.5 secs Computing kpt #: 160 total cpu time spent up to now is 180.6 secs Computing kpt #: 161 total cpu time spent up to now is 181.6 secs Computing kpt #: 162 total cpu time spent up to now is 182.6 secs Computing kpt #: 163 total cpu time spent up to now is 183.6 secs Computing kpt #: 164 total cpu time spent up to now is 184.6 secs Computing kpt #: 165 total cpu time spent up to now is 185.6 secs Computing kpt #: 166 total cpu time spent up to now is 186.5 secs Computing kpt #: 167 total cpu time spent up to now is 187.5 secs Computing kpt #: 168 total cpu time spent up to now is 188.4 secs Computing kpt #: 169 total cpu time spent up to now is 189.4 secs Computing kpt #: 170 total cpu time spent up to now is 190.4 secs Computing kpt #: 171 total cpu time spent up to now is 191.4 secs Computing kpt #: 172 total cpu time spent up to now is 192.4 secs Computing kpt #: 173 total cpu time spent up to now is 193.4 secs Computing kpt #: 174 total cpu time spent up to now is 194.4 secs Computing kpt #: 175 total cpu time spent up to now is 195.4 secs Computing kpt #: 176 total cpu time spent up to now is 196.4 secs Computing kpt #: 177 total cpu time spent up to now is 197.4 secs Computing kpt #: 178 total cpu time spent up to now is 198.4 secs Computing kpt #: 179 total cpu time spent up to now is 199.4 secs Computing kpt #: 180 total cpu time spent up to now is 200.4 secs Computing kpt #: 181 total cpu time spent up to now is 201.4 secs Computing kpt #: 182 total cpu time spent up to now is 202.4 secs Computing kpt #: 183 total cpu time spent up to now is 203.3 secs Computing kpt #: 184 total cpu time spent up to now is 204.3 secs Computing kpt #: 185 total cpu time spent up to now is 205.4 secs Computing kpt #: 186 total cpu time spent up to now is 206.4 secs Computing kpt #: 187 total cpu time spent up to now is 207.5 secs Computing kpt #: 188 total cpu time spent up to now is 208.5 secs Computing kpt #: 189 total cpu time spent up to now is 209.6 secs Computing kpt #: 190 total cpu time spent up to now is 210.7 secs Computing kpt #: 191 total cpu time spent up to now is 211.9 secs Computing kpt #: 192 total cpu time spent up to now is 213.1 secs Computing kpt #: 193 total cpu time spent up to now is 214.2 secs Computing kpt #: 194 total cpu time spent up to now is 215.5 secs Computing kpt #: 195 total cpu time spent up to now is 216.7 secs Computing kpt #: 196 total cpu time spent up to now is 217.9 secs Computing kpt #: 197 total cpu time spent up to now is 219.1 secs Computing kpt #: 198 total cpu time spent up to now is 220.4 secs Computing kpt #: 199 total cpu time spent up to now is 221.6 secs Computing kpt #: 200 total cpu time spent up to now is 223.0 secs Computing kpt #: 201 total cpu time spent up to now is 224.3 secs Computing kpt #: 202 total cpu time spent up to now is 225.6 secs Computing kpt #: 203 total cpu time spent up to now is 226.8 secs Computing kpt #: 204 total cpu time spent up to now is 228.0 secs Computing kpt #: 205 total cpu time spent up to now is 229.0 secs Computing kpt #: 206 total cpu time spent up to now is 230.0 secs Computing kpt #: 207 total cpu time spent up to now is 231.0 secs Computing kpt #: 208 total cpu time spent up to now is 232.3 secs Computing kpt #: 209 total cpu time spent up to now is 233.4 secs Computing kpt #: 210 total cpu time spent up to now is 234.4 secs Computing kpt #: 211 total cpu time spent up to now is 235.4 secs Computing kpt #: 212 total cpu time spent up to now is 236.4 secs Computing kpt #: 213 total cpu time spent up to now is 237.4 secs Computing kpt #: 214 total cpu time spent up to now is 238.3 secs Computing kpt #: 215 total cpu time spent up to now is 239.3 secs Computing kpt #: 216 total cpu time spent up to now is 240.3 secs Computing kpt #: 217 total cpu time spent up to now is 241.3 secs Computing kpt #: 218 total cpu time spent up to now is 242.4 secs Computing kpt #: 219 total cpu time spent up to now is 243.4 secs Computing kpt #: 220 total cpu time spent up to now is 244.4 secs Computing kpt #: 221 total cpu time spent up to now is 245.4 secs Computing kpt #: 222 total cpu time spent up to now is 246.4 secs Computing kpt #: 223 total cpu time spent up to now is 247.5 secs Computing kpt #: 224 total cpu time spent up to now is 248.5 secs Computing kpt #: 225 total cpu time spent up to now is 249.5 secs Computing kpt #: 226 total cpu time spent up to now is 250.5 secs Computing kpt #: 227 total cpu time spent up to now is 251.5 secs Computing kpt #: 228 total cpu time spent up to now is 252.5 secs Computing kpt #: 229 total cpu time spent up to now is 253.6 secs Computing kpt #: 230 total cpu time spent up to now is 254.7 secs Computing kpt #: 231 total cpu time spent up to now is 255.9 secs Computing kpt #: 232 total cpu time spent up to now is 257.0 secs Computing kpt #: 233 total cpu time spent up to now is 258.0 secs Computing kpt #: 234 total cpu time spent up to now is 259.0 secs Computing kpt #: 235 total cpu time spent up to now is 259.9 secs Computing kpt #: 236 total cpu time spent up to now is 260.9 secs Computing kpt #: 237 total cpu time spent up to now is 261.9 secs Computing kpt #: 238 total cpu time spent up to now is 262.8 secs Computing kpt #: 239 total cpu time spent up to now is 263.8 secs Computing kpt #: 240 total cpu time spent up to now is 264.8 secs Computing kpt #: 241 total cpu time spent up to now is 265.7 secs Computing kpt #: 242 total cpu time spent up to now is 266.7 secs Computing kpt #: 243 total cpu time spent up to now is 267.7 secs Computing kpt #: 244 total cpu time spent up to now is 268.7 secs Computing kpt #: 245 total cpu time spent up to now is 269.8 secs Computing kpt #: 246 total cpu time spent up to now is 270.8 secs Computing kpt #: 247 total cpu time spent up to now is 271.8 secs Computing kpt #: 248 total cpu time spent up to now is 272.8 secs Computing kpt #: 249 total cpu time spent up to now is 273.8 secs Computing kpt #: 250 total cpu time spent up to now is 274.8 secs Computing kpt #: 251 total cpu time spent up to now is 275.9 secs Computing kpt #: 252 total cpu time spent up to now is 276.9 secs Computing kpt #: 253 total cpu time spent up to now is 277.9 secs Computing kpt #: 254 total cpu time spent up to now is 278.9 secs Computing kpt #: 255 total cpu time spent up to now is 279.9 secs Computing kpt #: 256 total cpu time spent up to now is 280.9 secs Computing kpt #: 257 total cpu time spent up to now is 281.9 secs Computing kpt #: 258 total cpu time spent up to now is 282.9 secs Computing kpt #: 259 total cpu time spent up to now is 284.0 secs Computing kpt #: 260 total cpu time spent up to now is 285.1 secs Computing kpt #: 261 total cpu time spent up to now is 286.1 secs Computing kpt #: 262 total cpu time spent up to now is 287.3 secs Computing kpt #: 263 total cpu time spent up to now is 288.5 secs Computing kpt #: 264 total cpu time spent up to now is 289.7 secs Computing kpt #: 265 total cpu time spent up to now is 290.9 secs Computing kpt #: 266 total cpu time spent up to now is 292.1 secs Computing kpt #: 267 total cpu time spent up to now is 293.3 secs Computing kpt #: 268 total cpu time spent up to now is 294.6 secs Computing kpt #: 269 total cpu time spent up to now is 295.7 secs Computing kpt #: 270 total cpu time spent up to now is 297.3 secs Computing kpt #: 271 total cpu time spent up to now is 299.2 secs Computing kpt #: 272 total cpu time spent up to now is 300.8 secs ethr = 1.61E-08, avg # of iterations = 21.5 total cpu time spent up to now is 300.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7799 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0220 -16.0220 -15.9980 -15.9980 -15.9980 -15.9980 1.0358 1.0358 2.2655 2.2655 2.2656 2.2656 2.2690 2.2690 2.4400 2.4400 2.6593 2.6593 2.6594 2.6594 2.8926 2.8926 2.8929 2.8929 3.1994 3.1994 4.1887 4.1887 4.1891 4.1891 4.3492 4.3492 4.3495 4.3495 4.4375 4.4375 4.4654 4.4654 4.6235 4.6235 4.6240 4.6240 5.3288 5.3288 5.4623 5.4623 5.4626 5.4626 8.6714 8.6714 9.3418 9.3418 9.3418 9.3418 9.3637 9.3637 11.4918 11.4918 11.4918 11.4918 11.8095 11.8095 11.8707 11.8707 k = 0.0125-0.0072 0.0102 ( 7799 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0220 -16.0220 -15.9980 -15.9980 -15.9980 -15.9980 1.0370 1.0370 2.2659 2.2659 2.2663 2.2663 2.2696 2.2696 2.4412 2.4412 2.6594 2.6594 2.6600 2.6600 2.8929 2.8929 2.8933 2.8933 3.1997 3.1997 4.1884 4.1884 4.1888 4.1888 4.3487 4.3487 4.3491 4.3491 4.4369 4.4369 4.4651 4.4651 4.6229 4.6229 4.6234 4.6234 5.3274 5.3274 5.4609 5.4609 5.4612 5.4612 8.6658 8.6658 9.3382 9.3382 9.3393 9.3393 9.3606 9.3606 11.4811 11.4811 11.4946 11.4946 11.8170 11.8170 11.8778 11.8778 k = 0.0250-0.0144 0.0204 ( 7787 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0219 -16.0219 -15.9980 -15.9980 -15.9980 -15.9980 1.0406 1.0406 2.2670 2.2670 2.2684 2.2684 2.2714 2.2714 2.4448 2.4448 2.6598 2.6598 2.6620 2.6620 2.8935 2.8935 2.8947 2.8947 3.2009 3.2009 4.1874 4.1874 4.1880 4.1880 4.3470 4.3470 4.3479 4.3479 4.4352 4.4352 4.4641 4.4641 4.6212 4.6212 4.6219 4.6219 5.3233 5.3233 5.4566 5.4566 5.4570 5.4570 8.6490 8.6490 9.3275 9.3275 9.3314 9.3314 9.3515 9.3515 11.4501 11.4501 11.5028 11.5028 11.8392 11.8392 11.8989 11.8989 k = 0.0375-0.0217 0.0306 ( 7787 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1997 -16.1997 -16.1765 -16.1765 -16.0219 -16.0219 -16.0219 -16.0219 -15.9980 -15.9980 -15.9980 -15.9980 1.0466 1.0466 2.2685 2.2685 2.2720 2.2720 2.2747 2.2747 2.4509 2.4509 2.6603 2.6603 2.6654 2.6654 2.8945 2.8945 2.8971 2.8971 3.2028 3.2028 4.1858 4.1858 4.1866 4.1866 4.3442 4.3442 4.3460 4.3460 4.4323 4.4323 4.4624 4.4624 4.6181 4.6181 4.6196 4.6196 5.3164 5.3164 5.4493 5.4493 5.4500 5.4500 8.6213 8.6213 9.3102 9.3102 9.3175 9.3175 9.3377 9.3377 11.4017 11.4017 11.5165 11.5165 11.8751 11.8751 11.9336 11.9336 k = 0.0500-0.0289 0.0408 ( 7779 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1997 -16.1997 -16.1766 -16.1766 -16.0219 -16.0219 -16.0219 -16.0219 -15.9980 -15.9980 -15.9980 -15.9980 1.0550 1.0550 2.2703 2.2703 2.2771 2.2771 2.2796 2.2796 2.4593 2.4593 2.6611 2.6611 2.6700 2.6700 2.8959 2.8959 2.9005 2.9005 3.2054 3.2054 4.1836 4.1836 4.1847 4.1847 4.3402 4.3402 4.3432 4.3432 4.4284 4.4284 4.4600 4.4600 4.6141 4.6141 4.6163 4.6163 5.3068 5.3068 5.4392 5.4392 5.4403 5.4403 8.5833 8.5833 9.2867 9.2867 9.2968 9.2968 9.3207 9.3207 11.3384 11.3384 11.5358 11.5358 11.9240 11.9240 11.9812 11.9812 k = 0.0625-0.0361 0.0510 ( 7775 PWs) bands (ev): -44.1364 -44.1364 -44.1323 -44.1323 -16.1996 -16.1996 -16.1766 -16.1766 -16.0219 -16.0219 -16.0218 -16.0218 -15.9980 -15.9980 -15.9980 -15.9980 1.0658 1.0658 2.2726 2.2726 2.2835 2.2835 2.2859 2.2859 2.4702 2.4702 2.6622 2.6622 2.6760 2.6760 2.8977 2.8977 2.9048 2.9048 3.2089 3.2089 4.1806 4.1806 4.1822 4.1822 4.3350 4.3350 4.3393 4.3393 4.4233 4.4233 4.4570 4.4570 4.6091 4.6091 4.6122 4.6122 5.2945 5.2945 5.4262 5.4262 5.4280 5.4280 8.5358 8.5358 9.2580 9.2580 9.2696 9.2696 9.3012 9.3012 11.2626 11.2626 11.5606 11.5606 11.9850 11.9850 12.0409 12.0409 k = 0.0750-0.0433 0.0612 ( 7775 PWs) bands (ev): -44.1364 -44.1364 -44.1323 -44.1323 -16.1995 -16.1995 -16.1768 -16.1768 -16.0218 -16.0218 -16.0218 -16.0218 -15.9980 -15.9980 -15.9980 -15.9980 1.0789 1.0789 2.2753 2.2753 2.2913 2.2913 2.2936 2.2936 2.4834 2.4834 2.6635 2.6635 2.6833 2.6833 2.8998 2.8998 2.9101 2.9101 3.2131 3.2131 4.1769 4.1769 4.1791 4.1791 4.3288 4.3288 4.3341 4.3341 4.4173 4.4173 4.4532 4.4532 4.6034 4.6034 4.6073 4.6073 5.2795 5.2795 5.4104 5.4104 5.4131 5.4131 8.4793 8.4793 9.2249 9.2249 9.2372 9.2372 9.2793 9.2793 11.1764 11.1764 11.5909 11.5909 12.0571 12.0571 12.1077 12.1077 k = 0.0875-0.0505 0.0714 ( 7775 PWs) bands (ev): -44.1364 -44.1364 -44.1324 -44.1324 -16.1994 -16.1994 -16.1769 -16.1769 -16.0218 -16.0218 -16.0217 -16.0217 -15.9981 -15.9981 -15.9980 -15.9980 1.0943 1.0943 2.2784 2.2784 2.3005 2.3005 2.3028 2.3028 2.4989 2.4989 2.6652 2.6652 2.6919 2.6919 2.9023 2.9023 2.9164 2.9164 3.2181 3.2181 4.1726 4.1726 4.1754 4.1754 4.3215 4.3215 4.3273 4.3273 4.4104 4.4104 4.4489 4.4489 4.5973 4.5973 4.6017 4.6017 5.2620 5.2620 5.3919 5.3919 5.3958 5.3958 8.4148 8.4148 9.1882 9.1882 9.2006 9.2006 9.2549 9.2549 11.0817 11.0817 11.6267 11.6267 12.1392 12.1392 12.1826 12.1826 k = 0.1000-0.0577 0.0816 ( 7771 PWs) bands (ev): -44.1364 -44.1364 -44.1324 -44.1324 -16.1993 -16.1993 -16.1771 -16.1771 -16.0218 -16.0218 -16.0217 -16.0217 -15.9981 -15.9981 -15.9980 -15.9980 1.1119 1.1119 2.2820 2.2820 2.3111 2.3111 2.3133 2.3133 2.5167 2.5167 2.6673 2.6673 2.7019 2.7019 2.9052 2.9052 2.9235 2.9235 3.2239 3.2239 4.1676 4.1676 4.1709 4.1709 4.3132 4.3132 4.3184 4.3184 4.4031 4.4031 4.4439 4.4439 4.5909 4.5909 4.5954 4.5954 5.2419 5.2419 5.3707 5.3707 5.3761 5.3761 8.3430 8.3430 9.1487 9.1487 9.1609 9.1609 9.2282 9.2282 10.9801 10.9801 11.6679 11.6679 12.2304 12.2304 12.2656 12.2656 k = 0.1125-0.0650 0.0919 ( 7779 PWs) bands (ev): -44.1363 -44.1363 -44.1324 -44.1324 -16.1992 -16.1992 -16.1773 -16.1773 -16.0218 -16.0218 -16.0216 -16.0216 -15.9982 -15.9982 -15.9981 -15.9981 1.1319 1.1319 2.2860 2.2860 2.3231 2.3231 2.3252 2.3252 2.5365 2.5365 2.6699 2.6699 2.7130 2.7130 2.9084 2.9084 2.9316 2.9316 3.2306 3.2306 4.1619 4.1619 4.1656 4.1656 4.3039 4.3039 4.3070 4.3070 4.3956 4.3956 4.4382 4.4382 4.5844 4.5844 4.5885 4.5885 5.2194 5.2194 5.3468 5.3468 5.3541 5.3541 8.2646 8.2646 9.1072 9.1072 9.1190 9.1190 9.1995 9.1995 10.8735 10.8735 11.7143 11.7143 12.3290 12.3290 12.3564 12.3564 k = 0.1250-0.0722 0.1021 ( 7763 PWs) bands (ev): -44.1363 -44.1363 -44.1324 -44.1324 -16.1990 -16.1990 -16.1774 -16.1774 -16.0216 -16.0216 -16.0215 -16.0215 -15.9982 -15.9982 -15.9981 -15.9981 1.1540 1.1540 2.2903 2.2903 2.3363 2.3363 2.3384 2.3384 2.5582 2.5582 2.6734 2.6734 2.7255 2.7255 2.9120 2.9120 2.9406 2.9406 3.2380 3.2380 4.1554 4.1554 4.1595 4.1595 4.2927 4.2927 4.2937 4.2937 4.3883 4.3883 4.4320 4.4320 4.5781 4.5781 4.5811 4.5811 5.1946 5.1946 5.3205 5.3205 5.3301 5.3301 8.1803 8.1803 9.0644 9.0644 9.0756 9.0756 9.1692 9.1692 10.7633 10.7633 11.7659 11.7659 12.4327 12.4327 12.4560 12.4560 k = 0.1375-0.0794 0.1123 ( 7763 PWs) bands (ev): -44.1363 -44.1363 -44.1325 -44.1325 -16.1988 -16.1988 -16.1777 -16.1777 -16.0216 -16.0216 -16.0214 -16.0214 -15.9983 -15.9983 -15.9981 -15.9981 1.1783 1.1783 2.2951 2.2951 2.3508 2.3508 2.3529 2.3529 2.5812 2.5812 2.6781 2.6781 2.7392 2.7392 2.9160 2.9160 2.9505 2.9505 3.2464 3.2464 4.1483 4.1483 4.1524 4.1524 4.2752 4.2752 4.2827 4.2827 4.3815 4.3815 4.4251 4.4251 4.5720 4.5720 4.5733 4.5733 5.1675 5.1675 5.2917 5.2917 5.3040 5.3040 8.0907 8.0907 9.0209 9.0209 9.0312 9.0312 9.1376 9.1376 10.6509 10.6509 11.8225 11.8225 12.5386 12.5386 12.5660 12.5660 k = 0.1500-0.0866 0.1225 ( 7755 PWs) bands (ev): -44.1362 -44.1362 -44.1325 -44.1325 -16.1986 -16.1986 -16.1779 -16.1779 -16.0215 -16.0215 -16.0213 -16.0213 -15.9984 -15.9984 -15.9982 -15.9982 1.2047 1.2047 2.3001 2.3001 2.3666 2.3666 2.3687 2.3687 2.6045 2.6045 2.6853 2.6853 2.7541 2.7541 2.9203 2.9203 2.9613 2.9613 3.2555 3.2555 4.1403 4.1403 4.1443 4.1443 4.2546 4.2546 4.2710 4.2710 4.3753 4.3753 4.4176 4.4176 4.5650 4.5650 4.5663 4.5663 5.1383 5.1383 5.2605 5.2605 5.2762 5.2762 7.9964 7.9964 8.9771 8.9771 8.9866 8.9866 9.1050 9.1050 10.5376 10.5376 11.8841 11.8841 12.6464 12.6464 12.6854 12.6854 k = 0.1625-0.0938 0.1327 ( 7763 PWs) bands (ev): -44.1362 -44.1362 -44.1325 -44.1325 -16.1985 -16.1985 -16.1782 -16.1782 -16.0214 -16.0214 -16.0212 -16.0212 -15.9985 -15.9985 -15.9982 -15.9982 1.2332 1.2332 2.3055 2.3055 2.3836 2.3836 2.3856 2.3856 2.6258 2.6258 2.6969 2.6969 2.7702 2.7702 2.9249 2.9249 2.9729 2.9729 3.2655 3.2655 4.1313 4.1313 4.1351 4.1351 4.2309 4.2309 4.2587 4.2587 4.3697 4.3697 4.4096 4.4096 4.5565 4.5565 4.5608 4.5608 5.1071 5.1071 5.2272 5.2272 5.2466 5.2466 7.8977 7.8977 8.9336 8.9336 8.9421 8.9421 9.0719 9.0719 10.4243 10.4243 11.9503 11.9503 12.7570 12.7570 12.8120 12.8120 k = 0.1750-0.1010 0.1429 ( 7763 PWs) bands (ev): -44.1362 -44.1362 -44.1326 -44.1326 -16.1983 -16.1983 -16.1785 -16.1785 -16.0213 -16.0213 -16.0211 -16.0211 -15.9986 -15.9986 -15.9983 -15.9983 1.2636 1.2636 2.3112 2.3112 2.4017 2.4017 2.4038 2.4038 2.6425 2.6425 2.7158 2.7158 2.7874 2.7874 2.9300 2.9300 2.9854 2.9854 3.2764 3.2764 4.1213 4.1213 4.1246 4.1246 4.2048 4.2048 4.2458 4.2458 4.3645 4.3645 4.4011 4.4011 4.5477 4.5477 4.5558 4.5558 5.0741 5.0741 5.1917 5.1917 5.2155 5.2155 7.7952 7.7952 8.8906 8.8906 8.8980 8.8980 9.0384 9.0384 10.3120 10.3120 12.0212 12.0212 12.8708 12.8708 12.9445 12.9445 k = 0.1875-0.1083 0.1531 ( 7755 PWs) bands (ev): -44.1361 -44.1361 -44.1326 -44.1326 -16.1981 -16.1981 -16.1788 -16.1788 -16.0212 -16.0212 -16.0210 -16.0210 -15.9987 -15.9987 -15.9983 -15.9983 1.2959 1.2959 2.3172 2.3172 2.4210 2.4210 2.4231 2.4231 2.6539 2.6539 2.7427 2.7427 2.8058 2.8058 2.9354 2.9354 2.9987 2.9987 3.2881 3.2881 4.1095 4.1095 4.1128 4.1128 4.1770 4.1770 4.2326 4.2326 4.3598 4.3598 4.3921 4.3921 4.5387 4.5387 4.5512 4.5512 5.0394 5.0394 5.1543 5.1543 5.1830 5.1830 7.6892 7.6892 8.8485 8.8485 8.8548 8.8548 9.0050 9.0050 10.2015 10.2015 12.0965 12.0965 12.9877 12.9877 13.0822 13.0822 k = 0.2000-0.1155 0.1633 ( 7767 PWs) bands (ev): -44.1361 -44.1361 -44.1327 -44.1327 -16.1979 -16.1979 -16.1791 -16.1791 -16.0212 -16.0212 -16.0209 -16.0209 -15.9988 -15.9988 -15.9983 -15.9983 1.3301 1.3301 2.3233 2.3233 2.4412 2.4412 2.4435 2.4435 2.6615 2.6615 2.7758 2.7758 2.8253 2.8253 2.9413 2.9413 3.0129 3.0129 3.3006 3.3006 4.0946 4.0946 4.0998 4.0998 4.1491 4.1491 4.2189 4.2189 4.3554 4.3554 4.3827 4.3827 4.5295 4.5295 4.5470 4.5470 5.0032 5.0032 5.1151 5.1151 5.1493 5.1493 7.5800 7.5800 8.8075 8.8075 8.8127 8.8127 8.9719 8.9719 10.0934 10.0934 12.1761 12.1761 13.1073 13.1073 13.2246 13.2246 k = 0.2125-0.1227 0.1735 ( 7747 PWs) bands (ev): -44.1360 -44.1360 -44.1327 -44.1327 -16.1975 -16.1975 -16.1794 -16.1794 -16.0210 -16.0210 -16.0207 -16.0207 -15.9989 -15.9989 -15.9984 -15.9984 1.3660 1.3660 2.3296 2.3296 2.4625 2.4625 2.4649 2.4649 2.6673 2.6673 2.8133 2.8133 2.8457 2.8457 2.9476 2.9476 3.0280 3.0280 3.3139 3.3139 4.0741 4.0741 4.0854 4.0854 4.1242 4.1242 4.2050 4.2050 4.3512 4.3512 4.3730 4.3730 4.5202 4.5202 4.5431 4.5431 4.9657 4.9657 5.0741 5.0741 5.1145 5.1145 7.4680 7.4680 8.7678 8.7678 8.7719 8.7719 8.9393 8.9393 9.9883 9.9883 12.2598 12.2598 13.2293 13.2293 13.3710 13.3710 k = 0.2250-0.1299 0.1837 ( 7759 PWs) bands (ev): -44.1360 -44.1360 -44.1328 -44.1328 -16.1973 -16.1973 -16.1798 -16.1798 -16.0210 -16.0210 -16.0206 -16.0206 -15.9990 -15.9990 -15.9984 -15.9984 1.4037 1.4037 2.3360 2.3360 2.4845 2.4845 2.4872 2.4872 2.6723 2.6723 2.8540 2.8540 2.8671 2.8671 2.9544 2.9544 3.0439 3.0439 3.3280 3.3280 4.0457 4.0457 4.0699 4.0699 4.1045 4.1045 4.1906 4.1906 4.3473 4.3473 4.3629 4.3629 4.5107 4.5107 4.5395 4.5395 4.9270 4.9270 5.0317 5.0317 5.0789 5.0789 7.3534 7.3534 8.7295 8.7295 8.7325 8.7325 8.9075 8.9075 9.8865 9.8865 12.3476 12.3476 13.3535 13.3535 13.5213 13.5213 k = 0.2375-0.1371 0.1939 ( 7747 PWs) bands (ev): -44.1359 -44.1359 -44.1328 -44.1328 -16.1970 -16.1970 -16.1801 -16.1801 -16.0208 -16.0208 -16.0205 -16.0205 -15.9991 -15.9991 -15.9985 -15.9985 1.4428 1.4428 2.3425 2.3425 2.5073 2.5073 2.5104 2.5104 2.6769 2.6769 2.8892 2.8892 2.8972 2.8972 2.9618 2.9618 3.0609 3.0609 3.3428 3.3428 4.0109 4.0109 4.0534 4.0534 4.0890 4.0890 4.1759 4.1759 4.3435 4.3435 4.3525 4.3525 4.5011 4.5011 4.5363 4.5363 4.8874 4.8874 4.9879 4.9879 5.0427 5.0427 7.2366 7.2366 8.6927 8.6927 8.6948 8.6948 8.8767 8.8767 9.7885 9.7885 12.4392 12.4392 13.4796 13.4796 13.6748 13.6748 k = 0.2500-0.1443 0.2041 ( 7780 PWs) bands (ev): -44.1359 -44.1359 -44.1329 -44.1329 -16.1968 -16.1968 -16.1806 -16.1806 -16.0208 -16.0208 -16.0205 -16.0205 -15.9992 -15.9992 -15.9986 -15.9986 1.4835 1.4835 2.3490 2.3490 2.5306 2.5306 2.5344 2.5344 2.6816 2.6816 2.9120 2.9120 2.9424 2.9424 2.9701 2.9701 3.0792 3.0792 3.3583 3.3583 3.9724 3.9724 4.0361 4.0361 4.0753 4.0753 4.1607 4.1607 4.3399 4.3399 4.3420 4.3420 4.4913 4.4913 4.5334 4.5334 4.8470 4.8470 4.9428 4.9428 5.0061 5.0061 7.1177 7.1177 8.6576 8.6576 8.6587 8.6587 8.8470 8.8470 9.6944 9.6944 12.5345 12.5345 13.6074 13.6074 13.8313 13.8313 k = 0.2625-0.1516 0.2143 ( 7748 PWs) bands (ev): -44.1358 -44.1358 -44.1329 -44.1329 -16.1965 -16.1965 -16.1809 -16.1809 -16.0207 -16.0207 -16.0203 -16.0203 -15.9992 -15.9992 -15.9986 -15.9986 1.5255 1.5255 2.3555 2.3555 2.5543 2.5543 2.5591 2.5591 2.6866 2.6866 2.9349 2.9349 2.9794 2.9794 2.9885 2.9885 3.0993 3.0993 3.3743 3.3743 3.9314 3.9314 4.0182 4.0182 4.0625 4.0625 4.1451 4.1451 4.3311 4.3311 4.3365 4.3365 4.4814 4.4814 4.5307 4.5307 4.8060 4.8060 4.8968 4.8968 4.9693 4.9693 6.9972 6.9972 8.6242 8.6242 8.6244 8.6244 8.8186 8.8186 9.6045 9.6045 12.6335 12.6335 13.7367 13.7367 13.9901 13.9901 k = 0.2750-0.1588 0.2245 ( 7748 PWs) bands (ev): -44.1357 -44.1357 -44.1330 -44.1330 -16.1962 -16.1962 -16.1813 -16.1813 -16.0206 -16.0206 -16.0202 -16.0202 -15.9993 -15.9993 -15.9986 -15.9986 1.5687 1.5687 2.3618 2.3618 2.5780 2.5780 2.5844 2.5844 2.6923 2.6923 2.9569 2.9569 2.9908 2.9908 3.0338 3.0338 3.1228 3.1228 3.3909 3.3909 3.8889 3.8889 4.0000 4.0000 4.0501 4.0501 4.1289 4.1289 4.3201 4.3201 4.3332 4.3332 4.4713 4.4713 4.5284 4.5284 4.7647 4.7647 4.8500 4.8500 4.9327 4.9327 6.8753 6.8753 8.5919 8.5919 8.5926 8.5926 8.7917 8.7917 9.5188 9.5188 12.7359 12.7359 13.8674 13.8674 14.1509 14.1509 k = 0.2875-0.1660 0.2347 ( 7764 PWs) bands (ev): -44.1357 -44.1357 -44.1331 -44.1331 -16.1959 -16.1959 -16.1817 -16.1817 -16.0206 -16.0206 -16.0202 -16.0202 -15.9994 -15.9994 -15.9987 -15.9987 1.6131 1.6131 2.3679 2.3679 2.6013 2.6013 2.6101 2.6101 2.6990 2.6990 2.9763 2.9763 3.0060 3.0060 3.0749 3.0749 3.1525 3.1525 3.4078 3.4078 3.8454 3.8454 3.9818 3.9818 4.0380 4.0380 4.1122 4.1122 4.3087 4.3087 4.3300 4.3300 4.4610 4.4610 4.5263 4.5263 4.7232 4.7232 4.8025 4.8025 4.8964 4.8964 6.7522 6.7522 8.5612 8.5612 8.5626 8.5626 8.7664 8.7664 9.4374 9.4374 12.8417 12.8417 13.9992 13.9992 14.3128 14.3128 k = 0.3000-0.1732 0.2449 ( 7776 PWs) bands (ev): -44.1356 -44.1356 -44.1331 -44.1331 -16.1956 -16.1956 -16.1821 -16.1821 -16.0205 -16.0205 -16.0201 -16.0201 -15.9995 -15.9995 -15.9988 -15.9988 1.6585 1.6585 2.3738 2.3738 2.6235 2.6235 2.6361 2.6361 2.7075 2.7075 2.9916 2.9916 3.0263 3.0263 3.1084 3.1084 3.1917 3.1917 3.4248 3.4248 3.8015 3.8015 3.9640 3.9640 4.0262 4.0262 4.0953 4.0953 4.2968 4.2968 4.3269 4.3269 4.4505 4.4505 4.5245 4.5245 4.6817 4.6817 4.7545 4.7545 4.8609 4.8609 6.6283 6.6283 8.5324 8.5324 8.5345 8.5345 8.7428 8.7428 9.3605 9.3605 12.9508 12.9508 14.1321 14.1321 14.4750 14.4750 k = 0.3125-0.1804 0.2552 ( 7780 PWs) bands (ev): -44.1355 -44.1355 -44.1332 -44.1332 -16.1953 -16.1953 -16.1826 -16.1826 -16.0204 -16.0204 -16.0200 -16.0200 -15.9996 -15.9996 -15.9989 -15.9989 1.7046 1.7046 2.3793 2.3793 2.6435 2.6435 2.6622 2.6622 2.7187 2.7187 3.0044 3.0044 3.0499 3.0499 3.1345 3.1345 3.2394 3.2394 3.4416 3.4416 3.7579 3.7579 3.9468 3.9468 4.0147 4.0147 4.0783 4.0783 4.2844 4.2844 4.3240 4.3240 4.4398 4.4398 4.5230 4.5230 4.6406 4.6406 4.7064 4.7064 4.8265 4.8265 6.5039 6.5039 8.5056 8.5056 8.5082 8.5082 8.7210 8.7210 9.2878 9.2878 13.0629 13.0629 14.2660 14.2660 14.6364 14.6364 k = 0.3250-0.1876 0.2654 ( 7772 PWs) bands (ev): -44.1355 -44.1355 -44.1333 -44.1333 -16.1949 -16.1949 -16.1830 -16.1830 -16.0203 -16.0203 -16.0199 -16.0199 -15.9996 -15.9996 -15.9989 -15.9989 1.7514 1.7514 2.3844 2.3844 2.6604 2.6604 2.6882 2.6882 2.7334 2.7334 3.0162 3.0162 3.0750 3.0750 3.1562 3.1562 3.2918 3.2918 3.4576 3.4576 3.7156 3.7156 3.9306 3.9306 4.0036 4.0036 4.0617 4.0617 4.2712 4.2712 4.3212 4.3212 4.4290 4.4290 4.5218 4.5218 4.6001 4.6001 4.6583 4.6583 4.7934 4.7934 6.3791 6.3791 8.4806 8.4806 8.4836 8.4836 8.7011 8.7011 9.2195 9.2195 13.1781 13.1781 14.4007 14.4007 14.7953 14.7953 k = 0.3375-0.1949 0.2756 ( 7768 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1834 -16.1834 -16.0202 -16.0202 -16.0198 -16.0198 -15.9996 -15.9996 -15.9990 -15.9990 1.7987 1.7987 2.3889 2.3889 2.6740 2.6740 2.7140 2.7140 2.7517 2.7517 3.0278 3.0278 3.1003 3.1003 3.1753 3.1753 3.3462 3.3462 3.4718 3.4718 3.6762 3.6762 3.9154 3.9154 3.9931 3.9931 4.0465 4.0465 4.2569 4.2569 4.3185 4.3185 4.4181 4.4181 4.5208 4.5208 4.5605 4.5605 4.6105 4.6105 4.7621 4.7621 6.2543 6.2543 8.4574 8.4574 8.4608 8.4608 8.6832 8.6832 9.1554 9.1554 13.2962 13.2962 14.5363 14.5363 14.9496 14.9496 k = 0.3500-0.2021 0.2858 ( 7776 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1942 -16.1942 -16.1839 -16.1839 -16.0202 -16.0202 -16.0197 -16.0197 -15.9997 -15.9997 -15.9991 -15.9991 1.8462 1.8462 2.3927 2.3927 2.6851 2.6851 2.7392 2.7392 2.7730 2.7730 3.0396 3.0396 3.1249 3.1249 3.1926 3.1926 3.4003 3.4003 3.4819 3.4819 3.6426 3.6426 3.9012 3.9012 3.9833 3.9833 4.0342 4.0342 4.2413 4.2413 4.3159 4.3159 4.4072 4.4072 4.5200 4.5200 4.5222 4.5222 4.5634 4.5634 4.7328 4.7328 6.1297 6.1297 8.4361 8.4361 8.4398 8.4398 8.6675 8.6675 9.0955 9.0955 13.4171 13.4171 14.6726 14.6726 15.0963 15.0963 k = 0.3625-0.2093 0.2960 ( 7780 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1939 -16.1939 -16.1843 -16.1843 -16.0201 -16.0201 -16.0197 -16.0197 -15.9997 -15.9997 -15.9991 -15.9991 1.8937 1.8937 2.3957 2.3957 2.6947 2.6947 2.7635 2.7635 2.7959 2.7959 3.0515 3.0515 3.1478 3.1478 3.2082 3.2082 3.4525 3.4525 3.4844 3.4844 3.6194 3.6194 3.8872 3.8872 3.9744 3.9744 4.0270 4.0270 4.2242 4.2242 4.3133 4.3133 4.3961 4.3961 4.4859 4.4859 4.5137 4.5137 4.5230 4.5230 4.7057 4.7057 6.0057 6.0057 8.4167 8.4167 8.4204 8.4204 8.6539 8.6539 9.0397 9.0397 13.5408 13.5408 14.8094 14.8094 15.2320 15.2320 k = 0.3750-0.2165 0.3062 ( 7768 PWs) bands (ev): -44.1352 -44.1352 -44.1336 -44.1336 -16.1935 -16.1935 -16.1847 -16.1847 -16.0200 -16.0200 -16.0196 -16.0196 -15.9998 -15.9998 -15.9992 -15.9992 1.9410 1.9410 2.3978 2.3978 2.7038 2.7038 2.7867 2.7867 2.8195 2.8195 3.0635 3.0635 3.1676 3.1676 3.2220 3.2220 3.4769 3.4769 3.5007 3.5007 3.6107 3.6107 3.8722 3.8722 3.9667 3.9667 4.0279 4.0279 4.2057 4.2057 4.3107 4.3107 4.3844 4.3844 4.4527 4.4527 4.4711 4.4711 4.5207 4.5207 4.6811 4.6811 5.8824 5.8824 8.3991 8.3991 8.4029 8.4029 8.6425 8.6425 8.9879 8.9879 13.6671 13.6671 14.9467 14.9467 15.3534 15.3534 k = 0.3875-0.2237 0.3164 ( 7788 PWs) bands (ev): -44.1351 -44.1351 -44.1336 -44.1336 -16.1931 -16.1931 -16.1852 -16.1852 -16.0199 -16.0199 -16.0196 -16.0196 -15.9998 -15.9998 -15.9993 -15.9993 1.9877 1.9877 2.3988 2.3988 2.7130 2.7130 2.8083 2.8083 2.8432 2.8432 3.0752 3.0752 3.1823 3.1823 3.2337 3.2337 3.4634 3.4634 3.5433 3.5433 3.6147 3.6147 3.8550 3.8550 3.9602 3.9602 4.0396 4.0396 4.1857 4.1857 4.3078 4.3078 4.3704 4.3704 4.4251 4.4251 4.4281 4.4281 4.5210 4.5210 4.6589 4.6589 5.7601 5.7601 8.3833 8.3833 8.3870 8.3870 8.6334 8.6334 8.9399 8.9399 13.7960 13.7960 15.0841 15.0841 15.4597 15.4597 k = 0.4000-0.2309 0.3266 ( 7788 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1927 -16.1927 -16.1857 -16.1857 -16.0199 -16.0199 -16.0196 -16.0196 -15.9998 -15.9998 -15.9994 -15.9994 2.0336 2.0336 2.3985 2.3985 2.7226 2.7226 2.8279 2.8279 2.8665 2.8665 3.0861 3.0861 3.1899 3.1899 3.2431 3.2431 3.4520 3.4520 3.5791 3.5791 3.6258 3.6258 3.8350 3.8350 3.9553 3.9553 4.0626 4.0626 4.1651 4.1651 4.3039 4.3039 4.3519 4.3519 4.3880 4.3880 4.4066 4.4066 4.5218 4.5218 4.6392 4.6392 5.6392 5.6392 8.3693 8.3693 8.3728 8.3728 8.6267 8.6267 8.8957 8.8957 13.9273 13.9273 15.2211 15.2211 15.5525 15.5525 k = 0.4125-0.2382 0.3368 ( 7808 PWs) bands (ev): -44.1349 -44.1349 -44.1338 -44.1338 -16.1924 -16.1924 -16.1862 -16.1862 -16.0199 -16.0199 -16.0196 -16.0196 -15.9999 -15.9999 -15.9994 -15.9994 2.0781 2.0781 2.3968 2.3968 2.7332 2.7332 2.8449 2.8449 2.8889 2.8889 3.0949 3.0949 3.1896 3.1896 3.2497 3.2497 3.4487 3.4487 3.6081 3.6081 3.6403 3.6403 3.8124 3.8124 3.9520 3.9520 4.0922 4.0922 4.1474 4.1474 4.2972 4.2972 4.3296 4.3296 4.3533 4.3533 4.3984 4.3984 4.5230 4.5230 4.6218 4.6218 5.5198 5.5198 8.3570 8.3570 8.3603 8.3603 8.6225 8.6225 8.8552 8.8552 14.0610 14.0610 15.3565 15.3565 15.6351 15.6351 k = 0.4250-0.2454 0.3470 ( 7796 PWs) bands (ev): -44.1349 -44.1349 -44.1339 -44.1339 -16.1919 -16.1919 -16.1866 -16.1866 -16.0197 -16.0197 -16.0195 -16.0195 -15.9999 -15.9999 -15.9995 -15.9995 2.1210 2.1210 2.3932 2.3932 2.7450 2.7450 2.8587 2.8587 2.9103 2.9103 3.0991 3.0991 3.1844 3.1844 3.2535 3.2535 3.4554 3.4554 3.6309 3.6309 3.6559 3.6559 3.7879 3.7879 3.9507 3.9507 4.1022 4.1022 4.1541 4.1541 4.2825 4.2825 4.3082 4.3082 4.3296 4.3296 4.3999 4.3999 4.5248 4.5248 4.6066 4.6066 5.4021 5.4021 8.3464 8.3464 8.3494 8.3494 8.6207 8.6207 8.8182 8.8182 14.1970 14.1970 15.4865 15.4865 15.7109 15.7109 k = 0.4375-0.2526 0.3572 ( 7796 PWs) bands (ev): -44.1348 -44.1348 -44.1340 -44.1340 -16.1915 -16.1915 -16.1871 -16.1871 -16.0197 -16.0197 -16.0195 -16.0195 -15.9998 -15.9998 -15.9995 -15.9995 2.1617 2.1617 2.3877 2.3877 2.7581 2.7581 2.8687 2.8687 2.9303 2.9303 3.0952 3.0952 3.1809 3.1809 3.2544 3.2544 3.4704 3.4704 3.6486 3.6486 3.6713 3.6713 3.7626 3.7626 3.9513 3.9513 4.0847 4.0847 4.1834 4.1834 4.2587 4.2587 4.2936 4.2936 4.3190 4.3190 4.4136 4.4136 4.5270 4.5270 4.5934 4.5934 5.2866 5.2866 8.3376 8.3376 8.3402 8.3402 8.6215 8.6215 8.7847 8.7847 14.3352 14.3352 15.5951 15.5951 15.7827 15.7842 k = 0.4500-0.2598 0.3674 ( 7804 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1911 -16.1911 -16.1876 -16.1876 -16.0197 -16.0197 -16.0195 -16.0195 -15.9999 -15.9999 -15.9996 -15.9996 2.1997 2.1997 2.3798 2.3798 2.7729 2.7729 2.8740 2.8740 2.9488 2.9488 3.0821 3.0821 3.1834 3.1834 3.2524 3.2524 3.4912 3.4912 3.6607 3.6607 3.6856 3.6856 3.7384 3.7384 3.9540 3.9540 4.0629 4.0629 4.1993 4.1993 4.2334 4.2334 4.2913 4.2913 4.3144 4.3144 4.4458 4.4458 4.5297 4.5297 4.5822 4.5822 5.1735 5.1735 8.3305 8.3305 8.3326 8.3326 8.6249 8.6249 8.7546 8.7546 14.4755 14.4755 15.6041 15.6041 15.8528 15.8530 k = 0.4625-0.2670 0.3776 ( 7816 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1907 -16.1907 -16.1880 -16.1880 -16.0197 -16.0197 -16.0196 -16.0196 -15.9999 -15.9999 -15.9996 -15.9996 2.2348 2.2348 2.3693 2.3693 2.7891 2.7891 2.8739 2.8739 2.9659 2.9659 3.0640 3.0640 3.1909 3.1909 3.2478 3.2478 3.5159 3.5159 3.6633 3.6633 3.6979 3.6979 3.7200 3.7200 3.9589 3.9589 4.0413 4.0413 4.1974 4.1974 4.2115 4.2115 4.2974 4.2974 4.3121 4.3121 4.4993 4.4993 4.5331 4.5331 4.5735 4.5735 5.0631 5.0631 8.3250 8.3250 8.3266 8.3266 8.6310 8.6310 8.7278 8.7278 14.6178 14.6178 15.4917 15.4917 15.9129 15.9130 k = 0.4750-0.2742 0.3878 ( 7808 PWs) bands (ev): -44.1346 -44.1346 -44.1342 -44.1342 -16.1902 -16.1902 -16.1885 -16.1885 -16.0196 -16.0196 -16.0195 -16.0195 -15.9998 -15.9998 -15.9997 -15.9997 2.2664 2.2664 2.3558 2.3558 2.8066 2.8066 2.8681 2.8681 2.9817 2.9817 3.0451 3.0451 3.2009 3.2009 3.2410 3.2410 3.5428 3.5428 3.6505 3.6505 3.7073 3.7073 3.7137 3.7137 3.9661 3.9661 4.0212 4.0212 4.1894 4.1894 4.1948 4.1948 4.3029 4.3029 4.3106 4.3106 4.5370 4.5370 4.5529 4.5529 4.5841 4.5841 4.9559 4.9559 8.3212 8.3212 8.3223 8.3223 8.6399 8.6399 8.7041 8.7041 14.7619 14.7619 15.3500 15.3500 15.9681 15.9683 k = 0.4875-0.2815 0.3980 ( 7784 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1898 -16.1898 -16.1889 -16.1889 -16.0195 -16.0195 -16.0195 -16.0195 -15.9997 -15.9997 -15.9997 -15.9997 2.2944 2.2944 2.3390 2.3390 2.8245 2.8245 2.8570 2.8570 2.9967 2.9967 3.0275 3.0275 3.2118 3.2118 3.2324 3.2324 3.5709 3.5709 3.6268 3.6268 3.7132 3.7132 3.7147 3.7147 3.9758 3.9758 4.0034 4.0034 4.1828 4.1828 4.1845 4.1845 4.3062 4.3062 4.3094 4.3094 4.5417 4.5417 4.5526 4.5526 4.6618 4.6618 4.8526 4.8526 8.3190 8.3190 8.3196 8.3196 8.6516 8.6516 8.6836 8.6836 14.9077 14.9077 15.2028 15.2028 16.0134 16.0136 k = 0.5000-0.2887 0.4082 ( 7768 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1893 -16.1893 -16.1893 -16.1893 -16.0195 -16.0195 -16.0195 -16.0195 -15.9997 -15.9997 -15.9997 -15.9997 2.3183 2.3183 2.3188 2.3188 2.8416 2.8416 2.8421 2.8421 3.0114 3.0114 3.0119 3.0119 3.2222 3.2222 3.2227 3.2227 3.5991 3.5991 3.5996 3.5996 3.7152 3.7152 3.7157 3.7157 3.9880 3.9880 3.9885 3.9885 4.1804 4.1804 4.1809 4.1809 4.3079 4.3079 4.3084 4.3084 4.5467 4.5467 4.5472 4.5472 4.7539 4.7539 4.7541 4.7541 8.3184 8.3184 8.3186 8.3186 8.6661 8.6661 8.6661 8.6661 15.0549 15.0549 15.0549 15.0549 16.0353 16.0353 k = 0.5000-0.2887 0.4082 ( 7768 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1893 -16.1893 -16.1893 -16.1893 -16.0195 -16.0195 -16.0195 -16.0195 -15.9997 -15.9997 -15.9997 -15.9997 2.3183 2.3183 2.3188 2.3188 2.8416 2.8416 2.8421 2.8421 3.0114 3.0114 3.0119 3.0119 3.2222 3.2222 3.2227 3.2227 3.5991 3.5991 3.5996 3.5996 3.7152 3.7152 3.7157 3.7157 3.9880 3.9880 3.9885 3.9885 4.1804 4.1804 4.1809 4.1809 4.3079 4.3079 4.3084 4.3084 4.5467 4.5467 4.5472 4.5472 4.7539 4.7539 4.7541 4.7541 8.3184 8.3184 8.3186 8.3186 8.6661 8.6661 8.6661 8.6661 15.0549 15.0549 15.0549 15.0549 16.0353 16.0353 k = 0.5000-0.2742 0.4185 ( 7784 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1894 -16.1894 -16.1893 -16.1893 -16.0199 -16.0199 -16.0191 -16.0191 -16.0001 -16.0001 -15.9993 -15.9993 2.3171 2.3171 2.3211 2.3211 2.8356 2.8356 2.8474 2.8474 3.0049 3.0049 3.0183 3.0183 3.2185 3.2185 3.2263 3.2263 3.5963 3.5963 3.5986 3.5986 3.7152 3.7152 3.7181 3.7181 3.9843 3.9843 3.9911 3.9911 4.1654 4.1654 4.1948 4.1948 4.3063 4.3063 4.3115 4.3115 4.5439 4.5439 4.5482 4.5482 4.7507 4.7507 4.7637 4.7637 8.2695 8.2695 8.2902 8.2902 8.6983 8.6983 8.7171 8.7171 15.0166 15.0166 15.0445 15.0445 16.0012 16.0012 k = 0.5000-0.2598 0.4287 ( 7792 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1894 -16.1894 -16.1892 -16.1892 -16.0203 -16.0203 -16.0187 -16.0187 -16.0005 -16.0005 -15.9990 -15.9990 2.3169 2.3169 2.3249 2.3249 2.8286 2.8286 2.8520 2.8520 2.9982 2.9982 3.0246 3.0246 3.2143 3.2143 3.2301 3.2301 3.5899 3.5899 3.5947 3.5947 3.7175 3.7175 3.7225 3.7225 3.9795 3.9795 3.9926 3.9926 4.1504 4.1504 4.2065 4.2065 4.3070 4.3070 4.3158 4.3158 4.5390 4.5390 4.5478 4.5478 4.7540 4.7540 4.7792 4.7792 8.1792 8.1792 8.2089 8.2089 8.7896 8.7896 8.8154 8.8154 14.9354 14.9354 14.9839 14.9839 15.9332 15.9332 k = 0.5000-0.2454 0.4389 ( 7800 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1895 -16.1895 -16.1892 -16.1892 -16.0207 -16.0207 -16.0182 -16.0182 -16.0009 -16.0009 -15.9987 -15.9987 2.3179 2.3179 2.3299 2.3299 2.8210 2.8210 2.8553 2.8553 2.9918 2.9918 3.0305 3.0305 3.2097 3.2097 3.2337 3.2337 3.5805 3.5805 3.5885 3.5885 3.7218 3.7218 3.7279 3.7279 3.9739 3.9739 3.9926 3.9926 4.1367 4.1367 4.2144 4.2144 4.3108 4.3108 4.3203 4.3203 4.5328 4.5328 4.5464 4.5464 4.7636 4.7636 4.7997 4.7997 8.0761 8.0761 8.1097 8.1097 8.9049 8.9049 8.9325 8.9325 14.8193 14.8193 14.8783 14.8783 15.8795 15.8795 k = 0.5000-0.2309 0.4491 ( 7792 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1895 -16.1895 -16.1892 -16.1892 -16.0210 -16.0210 -16.0177 -16.0177 -16.0013 -16.0013 -15.9984 -15.9984 2.3199 2.3199 2.3361 2.3361 2.8129 2.8129 2.8572 2.8572 2.9860 2.9860 3.0360 3.0360 3.2048 3.2048 3.2370 3.2370 3.5694 3.5694 3.5810 3.5810 3.7274 3.7274 3.7336 3.7336 3.9676 3.9676 3.9908 3.9908 4.1251 4.1251 4.2184 4.2184 4.3176 4.3176 4.3247 4.3247 4.5259 4.5259 4.5446 4.5446 4.7790 4.7790 4.8246 4.8246 7.9699 7.9699 8.0058 8.0058 9.0308 9.0308 9.0588 9.0588 14.6769 14.6769 14.7383 14.7383 15.8474 15.8474 k = 0.5000-0.2165 0.4593 ( 7786 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1895 -16.1895 -16.1891 -16.1891 -16.0214 -16.0214 -16.0173 -16.0173 -16.0018 -16.0018 -15.9981 -15.9981 2.3230 2.3230 2.3434 2.3434 2.8045 2.8045 2.8573 2.8573 2.9811 2.9811 3.0410 3.0410 3.1992 3.1992 3.2398 3.2398 3.5574 3.5574 3.5728 3.5728 3.7336 3.7336 3.7389 3.7389 3.9607 3.9607 3.9872 3.9872 4.1162 4.1162 4.2191 4.2191 4.3261 4.3261 4.3287 4.3287 4.5190 4.5190 4.5426 4.5426 4.7994 4.7994 4.8531 4.8531 7.8642 7.8642 7.9019 7.9019 9.1630 9.1630 9.1907 9.1907 14.5161 14.5161 14.5756 14.5756 15.8318 15.8318 k = 0.5000-0.2021 0.4695 ( 7800 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1896 -16.1896 -16.1891 -16.1891 -16.0217 -16.0217 -16.0168 -16.0168 -16.0022 -16.0022 -15.9978 -15.9978 2.3271 2.3271 2.3518 2.3518 2.7956 2.7956 2.8553 2.8553 2.9775 2.9775 3.0456 3.0456 3.1929 3.1929 3.2420 3.2420 3.5455 3.5455 3.5647 3.5647 3.7401 3.7401 3.7434 3.7434 3.9532 3.9532 3.9818 3.9818 4.1100 4.1100 4.2178 4.2178 4.3321 4.3321 4.3350 4.3350 4.5126 4.5126 4.5407 4.5407 4.8244 4.8244 4.8845 4.8845 7.7605 7.7605 7.7996 7.7996 9.2996 9.2996 9.3267 9.3267 14.3429 14.3429 14.3988 14.3988 15.8272 15.8272 k = 0.5000-0.1876 0.4797 ( 7796 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1896 -16.1896 -16.1890 -16.1890 -16.0220 -16.0220 -16.0163 -16.0163 -16.0027 -16.0027 -15.9975 -15.9975 2.3322 2.3322 2.3613 2.3613 2.7864 2.7864 2.8511 2.8511 2.9753 2.9753 3.0499 3.0499 3.1859 3.1859 3.2431 3.2431 3.5344 3.5344 3.5570 3.5570 3.7465 3.7465 3.7471 3.7471 3.9453 3.9453 3.9751 3.9751 4.1064 4.1064 4.2152 4.2152 4.3350 4.3350 4.3431 4.3431 4.5072 4.5072 4.5393 4.5393 4.8531 4.8531 4.9182 4.9182 7.6597 7.6597 7.7002 7.7002 9.4398 9.4398 9.4662 9.4662 14.1620 14.1620 14.2140 14.2140 15.8295 15.8295 k = 0.5000-0.1732 0.4899 ( 7792 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1897 -16.1897 -16.1890 -16.1890 -16.0223 -16.0223 -16.0158 -16.0158 -16.0031 -16.0031 -15.9973 -15.9973 2.3380 2.3380 2.3719 2.3719 2.7770 2.7770 2.8446 2.8446 2.9747 2.9747 3.0538 3.0538 3.1780 3.1780 3.2430 3.2430 3.5247 3.5247 3.5501 3.5501 3.7496 3.7496 3.7526 3.7526 3.9369 3.9369 3.9677 3.9677 4.1047 4.1047 4.2121 4.2121 4.3371 4.3371 4.3497 4.3497 4.5031 4.5031 4.5382 4.5382 4.8850 4.8850 4.9538 4.9538 7.5625 7.5625 7.6042 7.6042 9.5829 9.5829 9.6084 9.6084 13.9764 13.9764 14.0248 14.0248 15.8362 15.8362 k = 0.5000-0.1588 0.5001 ( 7782 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1897 -16.1897 -16.1890 -16.1890 -16.0225 -16.0225 -16.0153 -16.0153 -16.0036 -16.0036 -15.9970 -15.9970 2.3447 2.3447 2.3833 2.3833 2.7673 2.7673 2.8361 2.8361 2.9754 2.9754 3.0576 3.0576 3.1695 3.1695 3.2414 3.2414 3.5170 3.5170 3.5441 3.5441 3.7511 3.7511 3.7582 3.7582 3.9283 3.9283 3.9600 3.9600 4.1046 4.1046 4.2089 4.2089 4.3386 4.3386 4.3546 4.3546 4.5003 4.5003 4.5376 4.5376 4.9193 4.9193 4.9907 4.9907 7.4692 7.4692 7.5122 7.5122 9.7285 9.7285 9.7532 9.7532 13.7884 13.7884 13.8338 13.8338 15.8457 15.8457 k = 0.5000-0.1443 0.5103 ( 7774 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1897 -16.1897 -16.1889 -16.1889 -16.0228 -16.0228 -16.0148 -16.0148 -16.0040 -16.0040 -15.9968 -15.9968 2.3519 2.3519 2.3956 2.3956 2.7576 2.7576 2.8257 2.8257 2.9774 2.9774 3.0611 3.0611 3.1602 3.1602 3.2381 3.2381 3.5116 3.5116 3.5393 3.5393 3.7517 3.7517 3.7632 3.7632 3.9196 3.9196 3.9524 3.9524 4.1054 4.1054 4.2058 4.2058 4.3395 4.3395 4.3577 4.3577 4.4987 4.4987 4.5375 4.5375 4.9552 4.9552 5.0283 5.0283 7.3805 7.3805 7.4247 7.4247 9.8763 9.8763 9.9001 9.9001 13.5996 13.5996 13.6426 13.6426 15.8567 15.8567 k = 0.5000-0.1299 0.5205 ( 7788 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1898 -16.1898 -16.1889 -16.1889 -16.0230 -16.0230 -16.0143 -16.0143 -16.0045 -16.0045 -15.9966 -15.9966 2.3596 2.3596 2.4087 2.4087 2.7477 2.7477 2.8139 2.8139 2.9802 2.9802 3.0646 3.0646 3.1505 3.1505 3.2333 3.2333 3.5084 3.5084 3.5356 3.5356 3.7515 3.7515 3.7674 3.7674 3.9110 3.9110 3.9454 3.9454 4.1069 4.1069 4.2029 4.2029 4.3398 4.3398 4.3593 4.3593 4.4981 4.4981 4.5376 4.5376 4.9920 4.9920 5.0660 5.0660 7.2968 7.2968 7.3422 7.3422 10.0258 10.0258 10.0486 10.0486 13.4115 13.4115 13.4525 13.4525 15.8685 15.8685 k = 0.5000-0.1155 0.5307 ( 7792 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1898 -16.1898 -16.1889 -16.1889 -16.0232 -16.0232 -16.0138 -16.0138 -16.0050 -16.0050 -15.9965 -15.9965 2.3676 2.3676 2.4222 2.4222 2.7380 2.7380 2.8010 2.8010 2.9838 2.9838 3.0680 3.0680 3.1405 3.1405 3.2271 3.2271 3.5075 3.5075 3.5330 3.5330 3.7507 3.7507 3.7708 3.7708 3.9026 3.9026 3.9390 3.9390 4.1087 4.1087 4.2002 4.2002 4.3398 4.3398 4.3597 4.3597 4.4984 4.4984 4.5381 4.5381 5.0288 5.0288 5.1031 5.1031 7.2187 7.2187 7.2653 7.2653 10.1766 10.1766 10.1984 10.1984 13.2250 13.2250 13.2647 13.2647 15.8803 15.8803 k = 0.5000-0.1010 0.5409 ( 7794 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1898 -16.1898 -16.1889 -16.1889 -16.0234 -16.0234 -16.0133 -16.0133 -16.0055 -16.0055 -15.9963 -15.9963 2.3757 2.3757 2.4361 2.4361 2.7285 2.7285 2.7874 2.7874 2.9878 2.9878 3.0715 3.0715 3.1304 3.1304 3.2198 3.2198 3.5084 3.5084 3.5313 3.5313 3.7493 3.7493 3.7734 3.7734 3.8948 3.8948 3.9333 3.9333 4.1107 4.1107 4.1979 4.1979 4.3394 4.3394 4.3592 4.3592 4.4992 4.4992 4.5387 4.5387 5.0648 5.0648 5.1389 5.1389 7.1468 7.1468 7.1946 7.1946 10.3279 10.3279 10.3485 10.3485 13.0415 13.0415 13.0802 13.0802 15.8916 15.8916 k = 0.5000-0.0866 0.5511 ( 7786 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1898 -16.1898 -16.1888 -16.1888 -16.0235 -16.0235 -16.0127 -16.0127 -16.0060 -16.0060 -15.9962 -15.9962 2.3836 2.3836 2.4500 2.4500 2.7195 2.7195 2.7735 2.7735 2.9922 2.9922 3.0749 3.0749 3.1206 3.1206 3.2120 3.2120 3.5107 3.5107 3.5304 3.5304 3.7476 3.7476 3.7750 3.7750 3.8878 3.8878 3.9284 3.9284 4.1126 4.1126 4.1959 4.1959 4.3389 4.3389 4.3582 4.3582 4.5003 4.5003 4.5394 4.5394 5.0990 5.0990 5.1727 5.1727 7.0820 7.0820 7.1308 7.1308 10.4787 10.4787 10.4980 10.4980 12.8622 12.8622 12.9006 12.9006 15.9020 15.9021 k = 0.5000-0.0722 0.5613 ( 7790 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0237 -16.0237 -16.0122 -16.0122 -16.0065 -16.0065 -15.9961 -15.9961 2.3911 2.3911 2.4636 2.4636 2.7111 2.7111 2.7597 2.7597 2.9968 2.9968 3.0783 3.0783 3.1112 3.1112 3.2041 3.2041 3.5139 3.5139 3.5300 3.5300 3.7458 3.7458 3.7759 3.7759 3.8817 3.8817 3.9243 3.9243 4.1144 4.1144 4.1943 4.1943 4.3383 4.3383 4.3570 4.3570 4.5015 4.5015 4.5402 4.5402 5.1303 5.1303 5.2035 5.2035 7.0249 7.0249 7.0748 7.0748 10.6274 10.6274 10.6452 10.6452 12.6891 12.6891 12.7276 12.7276 15.9113 15.9113 k = 0.5000-0.0577 0.5715 ( 7790 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0238 -16.0238 -16.0117 -16.0117 -16.0070 -16.0070 -15.9960 -15.9960 2.3979 2.3979 2.4763 2.4763 2.7036 2.7036 2.7467 2.7467 3.0013 3.0013 3.0815 3.0815 3.1026 3.1026 3.1966 3.1966 3.5175 3.5175 3.5301 3.5301 3.7441 3.7441 3.7760 3.7760 3.8767 3.8767 3.9209 3.9209 4.1159 4.1159 4.1930 4.1930 4.3376 4.3376 4.3558 4.3558 4.5026 4.5026 4.5409 4.5409 5.1579 5.1579 5.2304 5.2304 6.9766 6.9766 7.0273 7.0273 10.7713 10.7713 10.7873 10.7873 12.5250 12.5250 12.5643 12.5643 15.9191 15.9191 k = 0.5000-0.0433 0.5818 ( 7784 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0239 -16.0239 -16.0112 -16.0112 -16.0075 -16.0075 -15.9959 -15.9959 2.4036 2.4036 2.4876 2.4876 2.6974 2.6974 2.7352 2.7352 3.0055 3.0055 3.0844 3.0844 3.0951 3.0951 3.1900 3.1900 3.5208 3.5208 3.5303 3.5303 3.7425 3.7425 3.7756 3.7756 3.8729 3.8729 3.9184 3.9184 4.1172 4.1172 4.1920 4.1920 4.3370 4.3370 4.3547 4.3547 4.5036 4.5036 4.5415 4.5415 5.1807 5.1807 5.2525 5.2525 6.9377 6.9377 6.9892 6.9892 10.9055 10.9055 10.9193 10.9193 12.3749 12.3749 12.4157 12.4157 15.9254 15.9254 k = 0.5000-0.0289 0.5920 ( 7782 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0239 -16.0239 -16.0107 -16.0107 -16.0079 -16.0079 -15.9958 -15.9958 2.4080 2.4080 2.4966 2.4966 2.6927 2.6927 2.7259 2.7259 3.0090 3.0090 3.0868 3.0868 3.0893 3.0893 3.1848 3.1848 3.5236 3.5236 3.5306 3.5306 3.7413 3.7413 3.7750 3.7750 3.8702 3.8702 3.9165 3.9165 4.1181 4.1181 4.1913 4.1913 4.3366 4.3366 4.3538 4.3538 4.5044 4.5044 4.5419 4.5419 5.1977 5.1977 5.2691 5.2691 6.9093 6.9093 6.9613 6.9613 11.0215 11.0215 11.0327 11.0327 12.2476 12.2476 12.2904 12.2904 15.9299 15.9299 k = 0.5000-0.0144 0.6022 ( 7794 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0240 -16.0240 -16.0104 -16.0104 -16.0083 -16.0083 -15.9958 -15.9958 2.4108 2.4108 2.5025 2.5025 2.6898 2.6898 2.7199 2.7199 3.0114 3.0114 3.0854 3.0854 3.0884 3.0884 3.1815 3.1815 3.5254 3.5254 3.5309 3.5309 3.7406 3.7406 3.7746 3.7746 3.8686 3.8686 3.9154 3.9154 4.1187 4.1187 4.1908 4.1908 4.3363 4.3363 4.3533 4.3533 4.5048 4.5048 4.5422 4.5422 5.2083 5.2083 5.2793 5.2793 6.8919 6.8919 6.9443 6.9443 11.1045 11.1045 11.1132 11.1132 12.1577 12.1577 12.2027 12.2027 15.9326 15.9326 k = 0.5000-0.0000 0.6124 ( 7788 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0240 -16.0240 -16.0102 -16.0102 -16.0085 -16.0085 -15.9958 -15.9958 2.4117 2.4117 2.5045 2.5045 2.6888 2.6888 2.7178 2.7178 3.0122 3.0122 3.0841 3.0841 3.0889 3.0889 3.1803 3.1803 3.5261 3.5261 3.5310 3.5310 3.7403 3.7403 3.7744 3.7744 3.8681 3.8681 3.9151 3.9151 4.1189 4.1189 4.1907 4.1907 4.3362 4.3362 4.3531 4.3531 4.5050 4.5050 4.5423 4.5423 5.2118 5.2118 5.2827 5.2827 6.8861 6.8861 6.9385 6.9385 11.1356 11.1356 11.1431 11.1431 12.1244 12.1244 12.1704 12.1704 15.9336 15.9336 k = 0.5000-0.0000 0.6124 ( 7788 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0240 -16.0240 -16.0102 -16.0102 -16.0085 -16.0085 -15.9958 -15.9958 2.4117 2.4117 2.5045 2.5045 2.6888 2.6888 2.7178 2.7178 3.0122 3.0122 3.0841 3.0841 3.0889 3.0889 3.1803 3.1803 3.5261 3.5261 3.5310 3.5310 3.7403 3.7403 3.7744 3.7744 3.8681 3.8681 3.9151 3.9151 4.1189 4.1189 4.1907 4.1907 4.3362 4.3362 4.3531 4.3531 4.5050 4.5050 4.5423 4.5423 5.2118 5.2118 5.2827 5.2827 6.8861 6.8861 6.9385 6.9385 11.1356 11.1356 11.1431 11.1431 12.1244 12.1244 12.1704 12.1704 15.9336 15.9336 k = 0.4917 0.0144 0.6124 ( 7794 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1899 -16.1899 -16.1888 -16.1888 -16.0240 -16.0240 -16.0103 -16.0103 -16.0084 -16.0084 -15.9958 -15.9958 2.4044 2.4044 2.5100 2.5100 2.6894 2.6894 2.7187 2.7187 3.0115 3.0115 3.0806 3.0806 3.0921 3.0921 3.1815 3.1815 3.5185 3.5185 3.5374 3.5374 3.7385 3.7385 3.7759 3.7759 3.8670 3.8670 3.9169 3.9169 4.1173 4.1173 4.1927 4.1927 4.3360 4.3360 4.3535 4.3535 4.5036 4.5036 4.5453 4.5453 5.1998 5.1998 5.2907 5.2907 6.8623 6.8623 6.9708 6.9708 11.0642 11.0642 11.1848 11.1848 12.1350 12.1350 12.1931 12.1931 15.8719 15.8719 k = 0.4833 0.0289 0.6124 ( 7790 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1900 -16.1900 -16.1887 -16.1887 -16.0240 -16.0240 -16.0105 -16.0105 -16.0082 -16.0082 -15.9958 -15.9958 2.3864 2.3864 2.5233 2.5233 2.6905 2.6905 2.7215 2.7215 3.0098 3.0098 3.0743 3.0743 3.0979 3.0979 3.1844 3.1844 3.5085 3.5085 3.5439 3.5439 3.7339 3.7339 3.7796 3.7796 3.8652 3.8652 3.9209 3.9209 4.1134 4.1134 4.1981 4.1981 4.3356 4.3356 4.3543 4.3543 4.5010 4.5010 4.5531 4.5531 5.1765 5.1765 5.3019 5.3019 6.8250 6.8250 7.0333 7.0333 10.9480 10.9480 11.2201 11.2201 12.1799 12.1799 12.2401 12.2401 15.7622 15.7622 k = 0.4750 0.0433 0.6124 ( 7784 PWs) bands (ev): -44.1345 -44.1345 -44.1343 -44.1343 -16.1901 -16.1901 -16.1885 -16.1885 -16.0239 -16.0239 -16.0107 -16.0107 -16.0080 -16.0080 -15.9958 -15.9958 2.3637 2.3637 2.5396 2.5396 2.6914 2.6914 2.7259 2.7259 3.0076 3.0076 3.0675 3.0675 3.1046 3.1046 3.1884 3.1884 3.4977 3.4977 3.5485 3.5485 3.7280 3.7280 3.7832 3.7832 3.8649 3.8649 3.9252 3.9252 4.1087 4.1087 4.2052 4.2052 4.3351 4.3351 4.3551 4.3551 4.4990 4.4990 4.5638 4.5638 5.1509 5.1509 5.3080 5.3080 6.7883 6.7883 7.1113 7.1113 10.8045 10.8045 11.2462 11.2462 12.2524 12.2524 12.3035 12.3035 15.6379 15.6379 k = 0.4667 0.0577 0.6124 ( 7778 PWs) bands (ev): -44.1345 -44.1345 -44.1342 -44.1342 -16.1902 -16.1902 -16.1884 -16.1884 -16.0239 -16.0239 -16.0109 -16.0109 -16.0077 -16.0077 -15.9958 -15.9958 2.3396 2.3396 2.5564 2.5564 2.6916 2.6916 2.7317 2.7317 3.0051 3.0051 3.0610 3.0610 3.1117 3.1117 3.1928 3.1928 3.4863 3.4863 3.5512 3.5512 3.7222 3.7222 3.7853 3.7853 3.8669 3.8669 3.9289 3.9289 4.1046 4.1046 4.2130 4.2130 4.3346 4.3346 4.3555 4.3555 4.4985 4.4985 4.5768 4.5768 5.1253 5.1253 5.3076 5.3076 6.7538 6.7538 7.2022 7.2022 10.6449 10.6449 11.2640 11.2640 12.3401 12.3401 12.3831 12.3831 15.5048 15.5048 k = 0.4583 0.0722 0.6124 ( 7773 PWs) bands (ev): -44.1345 -44.1345 -44.1342 -44.1342 -16.1903 -16.1903 -16.1883 -16.1883 -16.0239 -16.0239 -16.0112 -16.0112 -16.0075 -16.0075 -15.9959 -15.9959 2.3156 2.3156 2.5725 2.5725 2.6912 2.6912 2.7383 2.7383 3.0025 3.0025 3.0556 3.0556 3.1190 3.1190 3.1972 3.1972 3.4743 3.4743 3.5523 3.5523 3.7168 3.7168 3.7856 3.7856 3.8708 3.8708 3.9316 3.9316 4.1020 4.1020 4.2207 4.2207 4.3341 4.3341 4.3555 4.3555 4.4998 4.4998 4.5916 4.5916 5.1005 5.1005 5.3013 5.3013 6.7218 6.7218 7.3044 7.3044 10.4763 10.4763 11.2751 11.2751 12.4333 12.4333 12.4800 12.4800 15.3657 15.3657 k = 0.4500 0.0866 0.6124 ( 7781 PWs) bands (ev): -44.1346 -44.1346 -44.1342 -44.1342 -16.1905 -16.1905 -16.1882 -16.1882 -16.0238 -16.0238 -16.0114 -16.0114 -16.0072 -16.0072 -15.9959 -15.9959 2.2927 2.2927 2.5873 2.5873 2.6903 2.6903 2.7455 2.7455 2.9998 2.9998 3.0517 3.0517 3.1263 3.1263 3.2014 3.2014 3.4619 3.4619 3.5521 3.5521 3.7124 3.7124 3.7843 3.7843 3.8753 3.8753 3.9338 3.9338 4.1012 4.1012 4.2281 4.2281 4.3335 4.3335 4.3550 4.3550 4.5027 4.5027 4.6078 4.6078 5.0768 5.0768 5.2902 5.2902 6.6926 6.6926 7.4164 7.4164 10.3027 10.3027 11.2810 11.2810 12.5287 12.5287 12.5912 12.5912 15.2222 15.2222 k = 0.4417 0.1010 0.6124 ( 7771 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1905 -16.1905 -16.1880 -16.1880 -16.0238 -16.0238 -16.0116 -16.0116 -16.0070 -16.0070 -15.9959 -15.9959 2.2713 2.2713 2.6006 2.6006 2.6890 2.6890 2.7527 2.7527 2.9969 2.9969 3.0497 3.0497 3.1332 3.1332 3.2051 3.2051 3.4494 3.4494 3.5507 3.5507 3.7089 3.7089 3.7824 3.7824 3.8785 3.8785 3.9362 3.9362 4.1021 4.1021 4.2351 4.2351 4.3327 4.3327 4.3541 4.3541 4.5069 4.5069 4.6252 4.6252 5.0544 5.0544 5.2754 5.2754 6.6663 6.6663 7.5369 7.5369 10.1269 10.1269 11.2833 11.2833 12.6270 12.6270 12.7115 12.7115 15.0758 15.0758 k = 0.4333 0.1155 0.6124 ( 7778 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1907 -16.1907 -16.1879 -16.1879 -16.0238 -16.0238 -16.0119 -16.0119 -16.0068 -16.0068 -15.9960 -15.9960 2.2520 2.2520 2.6123 2.6123 2.6876 2.6876 2.7597 2.7597 2.9938 2.9938 3.0494 3.0494 3.1398 3.1398 3.2084 3.2084 3.4368 3.4368 3.5487 3.5487 3.7062 3.7062 3.7803 3.7803 3.8791 3.8791 3.9398 3.9398 4.1044 4.1044 4.2417 4.2417 4.3319 4.3319 4.3530 4.3530 4.5119 4.5119 4.6432 4.6432 5.0338 5.0338 5.2579 5.2579 6.6430 6.6430 7.6649 7.6649 9.9503 9.9503 11.2831 11.2831 12.7278 12.7278 12.8375 12.8375 14.9275 14.9275 k = 0.4250 0.1299 0.6124 ( 7778 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1907 -16.1907 -16.1879 -16.1879 -16.0237 -16.0237 -16.0121 -16.0121 -16.0066 -16.0066 -15.9960 -15.9960 2.2348 2.2348 2.6222 2.6222 2.6861 2.6861 2.7662 2.7662 2.9908 2.9908 3.0508 3.0508 3.1457 3.1457 3.2112 3.2112 3.4247 3.4247 3.5463 3.5463 3.7041 3.7041 3.7787 3.7787 3.8769 3.8769 3.9447 3.9447 4.1076 4.1076 4.2478 4.2478 4.3310 4.3310 4.3518 4.3518 4.5172 4.5172 4.6614 4.6614 5.0150 5.0150 5.2391 5.2391 6.6226 6.6226 7.7992 7.7992 9.7742 9.7742 11.2814 11.2814 12.8293 12.8293 12.9675 12.9675 14.7785 14.7785 k = 0.4167 0.1443 0.6124 ( 7772 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1908 -16.1908 -16.1878 -16.1878 -16.0237 -16.0237 -16.0122 -16.0122 -16.0064 -16.0064 -15.9960 -15.9960 2.2201 2.2201 2.6304 2.6304 2.6847 2.6847 2.7721 2.7721 2.9879 2.9879 3.0532 3.0532 3.1508 3.1508 3.2135 3.2135 3.4134 3.4134 3.5439 3.5439 3.7024 3.7024 3.7778 3.7778 3.8727 3.8727 3.9501 3.9501 4.1111 4.1111 4.2533 4.2533 4.3302 4.3302 4.3506 4.3506 4.5224 4.5224 4.6791 4.6791 4.9986 4.9986 5.2201 5.2201 6.6054 6.6054 7.9389 7.9389 9.5995 9.5995 11.2790 11.2790 12.9292 12.9292 13.1001 13.1001 14.6297 14.6297 k = 0.4083 0.1588 0.6124 ( 7779 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1909 -16.1909 -16.1877 -16.1877 -16.0237 -16.0237 -16.0124 -16.0124 -16.0063 -16.0063 -15.9960 -15.9960 2.2078 2.2078 2.6370 2.6370 2.6833 2.6833 2.7772 2.7772 2.9854 2.9854 3.0563 3.0563 3.1551 3.1551 3.2154 3.2154 3.4032 3.4032 3.5416 3.5416 3.7011 3.7011 3.7776 3.7776 3.8675 3.8675 3.9555 3.9555 4.1146 4.1146 4.2582 4.2582 4.3296 4.3296 4.3494 4.3494 4.5272 4.5272 4.6954 4.6954 4.9847 4.9847 5.2019 5.2019 6.5912 6.5912 8.0828 8.0828 9.4271 9.4271 11.2763 11.2763 13.0241 13.0241 13.2340 13.2340 14.4826 14.4826 k = 0.4000 0.1732 0.6124 ( 7784 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1909 -16.1909 -16.1877 -16.1877 -16.0236 -16.0236 -16.0125 -16.0125 -16.0062 -16.0062 -15.9961 -15.9961 2.1982 2.1982 2.6420 2.6420 2.6822 2.6822 2.7813 2.7813 2.9833 2.9833 3.0594 3.0594 3.1584 3.1584 3.2170 3.2170 3.3947 3.3947 3.5397 3.5397 3.7000 3.7000 3.7781 3.7781 3.8622 3.8622 3.9601 3.9601 4.1176 4.1176 4.2621 4.2621 4.3292 4.3292 4.3483 4.3483 4.5312 4.5312 4.7095 4.7095 4.9737 4.9737 5.1859 5.1859 6.5801 6.5801 8.2294 8.2294 9.2586 9.2586 11.2739 11.2739 13.1094 13.1094 13.3671 13.3671 14.3391 14.3391 k = 0.3917 0.1876 0.6124 ( 7778 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1909 -16.1909 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1913 2.1913 2.6455 2.6455 2.6814 2.6814 2.7844 2.7844 2.9819 2.9819 3.0620 3.0620 3.1607 3.1607 3.2181 3.2181 3.3882 3.3882 3.5383 3.5383 3.6992 3.6992 3.7788 3.7788 3.8577 3.8577 3.9636 3.9636 4.1199 4.1199 4.2650 4.2650 4.3291 4.3291 4.3474 4.3474 4.5343 4.5343 4.7205 4.7205 4.9657 4.9657 5.1732 5.1732 6.5722 6.5722 8.3755 8.3755 9.0970 9.0970 11.2719 11.2719 13.1789 13.1789 13.4948 13.4948 14.2039 14.2039 k = 0.3833 0.2021 0.6124 ( 7780 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1910 -16.1910 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1872 2.1872 2.6476 2.6476 2.6809 2.6809 2.7862 2.7862 2.9810 2.9810 3.0638 3.0638 3.1621 3.1621 3.2188 3.2188 3.3841 3.3841 3.5374 3.5374 3.6986 3.6986 3.7795 3.7795 3.8546 3.8546 3.9657 3.9657 4.1213 4.1213 4.2668 4.2668 4.3292 4.3292 4.3468 4.3468 4.5363 4.5363 4.7275 4.7275 4.9609 4.9609 5.1651 5.1651 6.5674 6.5674 8.5105 8.5105 8.9527 8.9527 11.2707 11.2707 13.2253 13.2253 13.6041 13.6041 14.0901 14.0901 k = 0.3750 0.2165 0.6124 ( 7786 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1910 -16.1910 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1858 2.1858 2.6482 2.6482 2.6807 2.6807 2.7868 2.7868 2.9807 2.9807 3.0644 3.0644 3.1625 3.1625 3.2191 3.2191 3.3827 3.3827 3.5371 3.5371 3.6984 3.6984 3.7798 3.7798 3.8536 3.8536 3.9665 3.9665 4.1218 4.1218 4.2674 4.2674 4.3292 4.3292 4.3466 4.3466 4.5369 4.5369 4.7299 4.7299 4.9593 4.9593 5.1623 5.1623 6.5659 6.5659 8.5827 8.5827 8.8774 8.8774 11.2703 11.2703 13.2417 13.2417 13.6546 13.6546 14.0381 14.0381 k = 0.3750 0.2165 0.6124 ( 7786 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1910 -16.1910 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1858 2.1858 2.6482 2.6482 2.6807 2.6807 2.7868 2.7868 2.9807 2.9807 3.0644 3.0644 3.1625 3.1625 3.2191 3.2191 3.3827 3.3827 3.5371 3.5371 3.6984 3.6984 3.7798 3.7798 3.8536 3.8536 3.9665 3.9665 4.1218 4.1218 4.2674 4.2674 4.3292 4.3292 4.3466 4.3466 4.5369 4.5369 4.7299 4.7299 4.9593 4.9593 5.1623 5.1623 6.5659 6.5659 8.5827 8.5827 8.8774 8.8774 11.2703 11.2703 13.2417 13.2417 13.6546 13.6546 14.0381 14.0381 k = 0.3663 0.2115 0.5981 ( 7782 PWs) bands (ev): -44.1347 -44.1347 -44.1340 -44.1340 -16.1912 -16.1912 -16.1874 -16.1874 -16.0238 -16.0238 -16.0121 -16.0121 -16.0066 -16.0066 -15.9960 -15.9960 2.1653 2.1653 2.6581 2.6581 2.6954 2.6954 2.7760 2.7760 2.9808 2.9808 3.0601 3.0601 3.1588 3.1588 3.2102 3.2102 3.3655 3.3655 3.5449 3.5449 3.6901 3.6901 3.7876 3.7876 3.8255 3.8255 3.9702 3.9702 4.1333 4.1333 4.2797 4.2797 4.3233 4.3233 4.3534 4.3534 4.5418 4.5418 4.7550 4.7550 4.9458 4.9458 5.2126 5.2126 6.5091 6.5091 8.6201 8.6201 8.9064 8.9064 11.4758 11.4758 13.0986 13.0986 13.5567 13.5567 13.8959 13.8959 k = 0.3576 0.2064 0.5839 ( 7788 PWs) bands (ev): -44.1348 -44.1348 -44.1340 -44.1340 -16.1914 -16.1914 -16.1872 -16.1872 -16.0239 -16.0239 -16.0116 -16.0116 -16.0071 -16.0071 -15.9959 -15.9959 2.1432 2.1432 2.6449 2.6449 2.7230 2.7230 2.7765 2.7765 2.9785 2.9785 3.0553 3.0553 3.1549 3.1549 3.1983 3.1983 3.3525 3.3525 3.5548 3.5548 3.6811 3.6811 3.7930 3.7930 3.8008 3.8008 3.9747 3.9747 4.1442 4.1442 4.2919 4.2919 4.3181 4.3181 4.3616 4.3616 4.5467 4.5467 4.7783 4.7783 4.9248 4.9248 5.2659 5.2659 6.4678 6.4678 8.6600 8.6600 8.9369 8.9369 11.6812 11.6812 12.9570 12.9570 13.4620 13.4620 13.7558 13.7558 k = 0.3488 0.2014 0.5696 ( 7784 PWs) bands (ev): -44.1348 -44.1348 -44.1339 -44.1339 -16.1917 -16.1917 -16.1869 -16.1869 -16.0240 -16.0240 -16.0111 -16.0111 -16.0076 -16.0076 -15.9958 -15.9958 2.1195 2.1195 2.6300 2.6300 2.7254 2.7254 2.8040 2.8040 2.9737 2.9737 3.0502 3.0502 3.1505 3.1505 3.1835 3.1835 3.3442 3.3442 3.5661 3.5661 3.6725 3.6725 3.7667 3.7667 3.8094 3.8094 3.9797 3.9797 4.1544 4.1544 4.3031 4.3031 4.3139 4.3139 4.3714 4.3714 4.5514 4.5514 4.7958 4.7958 4.9011 4.9011 5.3218 5.3218 6.4421 6.4421 8.7022 8.7022 8.9687 8.9687 11.8855 11.8855 12.8169 12.8169 13.3705 13.3705 13.6182 13.6182 k = 0.3401 0.1964 0.5554 ( 7798 PWs) bands (ev): -44.1349 -44.1349 -44.1339 -44.1339 -16.1919 -16.1919 -16.1867 -16.1867 -16.0241 -16.0241 -16.0107 -16.0107 -16.0081 -16.0081 -15.9958 -15.9958 2.0942 2.0942 2.6148 2.6148 2.7152 2.7152 2.8434 2.8434 2.9665 2.9665 3.0447 3.0447 3.1453 3.1453 3.1673 3.1673 3.3402 3.3402 3.5771 3.5771 3.6656 3.6656 3.7393 3.7393 3.8216 3.8216 3.9847 3.9847 4.1638 4.1638 4.3076 4.3076 4.3159 4.3159 4.3829 4.3829 4.5552 4.5552 4.7967 4.7967 4.8874 4.8874 5.3803 5.3803 6.4311 6.4311 8.7468 8.7468 9.0018 9.0018 12.0870 12.0870 12.6790 12.6790 13.2822 13.2822 13.4830 13.4830 k = 0.3314 0.1913 0.5412 ( 7796 PWs) bands (ev): -44.1349 -44.1349 -44.1338 -44.1338 -16.1921 -16.1921 -16.1864 -16.1864 -16.0242 -16.0242 -16.0103 -16.0103 -16.0085 -16.0085 -15.9957 -15.9957 2.0674 2.0674 2.5996 2.5996 2.7024 2.7024 2.8825 2.8825 2.9573 2.9573 3.0387 3.0387 3.1392 3.1392 3.1524 3.1524 3.3397 3.3397 3.5842 3.5842 3.6620 3.6620 3.7159 3.7159 3.8350 3.8350 3.9895 3.9895 4.1721 4.1721 4.3048 4.3048 4.3246 4.3246 4.3957 4.3957 4.5569 4.5569 4.7733 4.7733 4.8949 4.8949 5.4411 5.4411 6.4339 6.4339 8.7938 8.7938 9.0359 9.0359 12.2819 12.2819 12.5451 12.5451 13.1972 13.1972 13.3506 13.3506 k = 0.3227 0.1863 0.5269 ( 7788 PWs) bands (ev): -44.1350 -44.1350 -44.1338 -44.1338 -16.1924 -16.1924 -16.1861 -16.1861 -16.0242 -16.0242 -16.0100 -16.0100 -16.0087 -16.0087 -15.9957 -15.9957 2.0391 2.0391 2.5843 2.5843 2.6890 2.6890 2.9150 2.9150 2.9466 2.9466 3.0321 3.0321 3.1338 3.1338 3.1409 3.1409 3.3418 3.3418 3.5835 3.5835 3.6590 3.6590 3.7041 3.7041 3.8492 3.8492 3.9937 3.9937 4.1793 4.1793 4.3019 4.3019 4.3327 4.3327 4.4092 4.4092 4.5539 4.5539 4.7402 4.7402 4.9141 4.9141 5.5043 5.5043 6.4489 6.4489 8.8430 8.8430 9.0709 9.0709 12.3865 12.3865 12.4961 12.4961 13.1154 13.1154 13.2214 13.2214 k = 0.3140 0.1813 0.5127 ( 7786 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1927 -16.1927 -16.1858 -16.1858 -16.0243 -16.0243 -16.0101 -16.0101 -16.0086 -16.0086 -15.9956 -15.9956 2.0095 2.0095 2.5690 2.5690 2.6755 2.6755 2.9296 2.9296 2.9403 2.9403 3.0246 3.0246 3.1314 3.1314 3.1357 3.1357 3.3458 3.3458 3.5738 3.5738 3.6501 3.6501 3.7126 3.7126 3.8642 3.8642 3.9969 3.9969 4.1850 4.1850 4.2992 4.2992 4.3399 4.3399 4.4227 4.4227 4.5418 4.5418 4.7127 4.7127 4.9369 4.9369 5.5697 5.5697 6.4747 6.4747 8.8946 8.8946 9.1067 9.1067 12.2656 12.2656 12.6615 12.6615 13.0368 13.0368 13.0962 13.0962 k = 0.3052 0.1762 0.4984 ( 7774 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1929 -16.1929 -16.1854 -16.1854 -16.0243 -16.0243 -16.0105 -16.0105 -16.0082 -16.0082 -15.9955 -15.9955 1.9786 1.9786 2.5539 2.5539 2.6622 2.6622 2.9180 2.9180 2.9429 2.9429 3.0163 3.0163 3.1223 3.1223 3.1487 3.1487 3.3517 3.3517 3.5570 3.5570 3.6409 3.6409 3.7347 3.7347 3.8797 3.8797 3.9985 3.9985 4.1889 4.1889 4.2964 4.2964 4.3462 4.3462 4.4351 4.4351 4.5192 4.5192 4.6990 4.6990 4.9609 4.9609 5.6374 5.6374 6.5099 6.5099 8.9483 8.9483 9.1431 9.1431 12.1353 12.1353 12.8123 12.8123 12.9615 12.9615 12.9811 12.9811 k = 0.2965 0.1712 0.4842 ( 7750 PWs) bands (ev): -44.1351 -44.1351 -44.1336 -44.1336 -16.1931 -16.1931 -16.1851 -16.1851 -16.0242 -16.0242 -16.0109 -16.0109 -16.0077 -16.0077 -15.9955 -15.9955 1.9466 1.9466 2.5389 2.5389 2.6490 2.6490 2.9023 2.9023 2.9349 2.9349 3.0075 3.0075 3.1125 3.1125 3.1689 3.1689 3.3604 3.3604 3.5360 3.5360 3.6365 3.6365 3.7633 3.7633 3.8957 3.8957 3.9978 3.9978 4.1902 4.1902 4.2933 4.2933 4.3517 4.3517 4.4435 4.4435 4.4931 4.4931 4.6989 4.6989 4.9851 4.9851 5.7073 5.7073 6.5531 6.5531 9.0042 9.0042 9.1800 9.1800 12.0058 12.0058 12.8283 12.8283 12.8903 12.8903 12.9753 12.9753 k = 0.2878 0.1662 0.4700 ( 7752 PWs) bands (ev): -44.1352 -44.1352 -44.1336 -44.1336 -16.1934 -16.1934 -16.1847 -16.1847 -16.0242 -16.0242 -16.0113 -16.0113 -16.0073 -16.0073 -15.9955 -15.9955 1.9135 1.9135 2.5241 2.5241 2.6360 2.6360 2.8840 2.8840 2.9203 2.9203 2.9984 2.9984 3.1019 3.1019 3.1871 3.1871 3.3741 3.3741 3.5133 3.5133 3.6376 3.6376 3.7952 3.7952 3.9122 3.9122 3.9941 3.9941 4.1885 4.1885 4.2899 4.2899 4.3561 4.3561 4.4393 4.4393 4.4805 4.4805 4.7080 4.7080 5.0092 5.0092 5.7795 5.7795 6.6034 6.6034 9.0620 9.0620 9.2173 9.2173 11.8779 11.8779 12.7213 12.7213 12.8208 12.8208 13.0592 13.0592 k = 0.2791 0.1611 0.4557 ( 7756 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1937 -16.1937 -16.1844 -16.1844 -16.0242 -16.0242 -16.0118 -16.0118 -16.0068 -16.0068 -15.9955 -15.9955 1.8795 1.8795 2.5095 2.5095 2.6232 2.6232 2.8626 2.8626 2.9037 2.9037 2.9891 2.9891 3.0908 3.0908 3.1959 3.1959 3.3941 3.3941 3.4914 3.4914 3.6440 3.6440 3.8271 3.8271 3.9295 3.9295 3.9880 3.9880 4.1836 4.1836 4.2869 4.2869 4.3590 4.3590 4.4250 4.4250 4.4849 4.4849 4.7230 4.7230 5.0329 5.0329 5.8539 5.8539 6.6598 6.6598 9.1214 9.1214 9.2549 9.2549 11.7519 11.7519 12.6097 12.6097 12.7547 12.7547 13.1094 13.1094 k = 0.2703 0.1561 0.4415 ( 7754 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1940 -16.1940 -16.1841 -16.1841 -16.0242 -16.0242 -16.0123 -16.0123 -16.0064 -16.0064 -15.9956 -15.9956 1.8446 1.8446 2.4952 2.4952 2.6105 2.6105 2.8380 2.8380 2.8876 2.8876 2.9795 2.9795 3.0791 3.0791 3.1931 3.1931 3.4147 3.4147 3.4760 3.4760 3.6549 3.6549 3.8527 3.8527 3.9484 3.9484 3.9834 3.9834 4.1770 4.1770 4.2850 4.2850 4.3605 4.3605 4.4154 4.4154 4.4936 4.4936 4.7419 4.7419 5.0561 5.0561 5.9306 5.9306 6.7216 6.7216 9.1819 9.1819 9.2932 9.2932 11.6279 11.6279 12.5007 12.5007 12.6916 12.6916 13.1257 13.1257 k = 0.2616 0.1511 0.4272 ( 7754 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1943 -16.1943 -16.1838 -16.1838 -16.0241 -16.0241 -16.0128 -16.0128 -16.0059 -16.0059 -15.9956 -15.9956 1.8091 1.8091 2.4812 2.4812 2.5978 2.5978 2.8111 2.8111 2.8725 2.8725 2.9696 2.9696 3.0670 3.0670 3.1804 3.1804 3.4160 3.4160 3.4833 3.4833 3.6696 3.6696 3.8622 3.8622 3.9679 3.9679 3.9923 3.9923 4.1710 4.1710 4.2850 4.2850 4.3613 4.3613 4.4126 4.4126 4.5030 4.5030 4.7634 4.7634 5.0789 5.0789 6.0097 6.0097 6.7883 6.7883 9.2421 9.2421 9.3331 9.3331 11.5059 11.5059 12.3955 12.3955 12.6315 12.6315 13.1177 13.1177 k = 0.2529 0.1460 0.4130 ( 7758 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1945 -16.1945 -16.1834 -16.1834 -16.0241 -16.0241 -16.0133 -16.0133 -16.0054 -16.0054 -15.9957 -15.9957 1.7730 1.7730 2.4675 2.4675 2.5852 2.5852 2.7829 2.7829 2.8582 2.8582 2.9594 2.9594 3.0547 3.0547 3.1607 3.1607 3.3979 3.3979 3.5084 3.5084 3.6872 3.6872 3.8540 3.8540 3.9833 3.9833 4.0245 4.0245 4.1673 4.1673 4.2867 4.2867 4.3624 4.3624 4.4143 4.4143 4.5122 4.5122 4.7869 4.7869 5.1010 5.1010 6.0912 6.0912 6.8595 6.8595 9.2987 9.2987 9.3774 9.3774 11.3861 11.3861 12.2946 12.2946 12.5743 12.5743 13.0946 13.0946 k = 0.2442 0.1410 0.3988 ( 7754 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1948 -16.1948 -16.1831 -16.1831 -16.0240 -16.0240 -16.0138 -16.0138 -16.0050 -16.0050 -15.9958 -15.9958 1.7364 1.7364 2.4541 2.4541 2.5726 2.5726 2.7540 2.7540 2.8447 2.8447 2.9488 2.9488 3.0422 3.0422 3.1362 3.1362 3.3742 3.3742 3.5315 3.5315 3.7071 3.7071 3.8403 3.8403 3.9984 3.9984 4.0689 4.0689 4.1668 4.1668 4.2896 4.2896 4.3643 4.3643 4.4186 4.4186 4.5213 4.5213 4.8119 4.8119 5.1226 5.1226 6.1750 6.1750 6.9346 6.9346 9.3474 9.3474 9.4303 9.4303 11.2685 11.2685 12.1984 12.1984 12.5199 12.5199 13.0624 13.0624 k = 0.2355 0.1359 0.3845 ( 7766 PWs) bands (ev): -44.1355 -44.1355 -44.1332 -44.1332 -16.1951 -16.1951 -16.1827 -16.1827 -16.0239 -16.0239 -16.0143 -16.0143 -16.0046 -16.0046 -15.9959 -15.9959 1.6996 1.6996 2.4411 2.4411 2.5600 2.5600 2.7248 2.7248 2.8317 2.8317 2.9378 2.9378 3.0295 3.0295 3.1087 3.1087 3.3482 3.3482 3.5429 3.5429 3.7298 3.7298 3.8332 3.8332 4.0142 4.0142 4.1170 4.1170 4.1710 4.1710 4.2935 4.2935 4.3669 4.3669 4.4243 4.4243 4.5303 4.5303 4.8380 4.8380 5.1435 5.1435 6.2614 6.2614 7.0135 7.0135 9.3862 9.3862 9.4928 9.4928 11.1533 11.1533 12.1073 12.1073 12.4683 12.4683 13.0250 13.0250 k = 0.2267 0.1309 0.3703 ( 7760 PWs) bands (ev): -44.1356 -44.1356 -44.1332 -44.1332 -16.1954 -16.1954 -16.1824 -16.1824 -16.0238 -16.0238 -16.0148 -16.0148 -16.0041 -16.0041 -15.9959 -15.9959 1.6625 1.6625 2.4286 2.4286 2.5472 2.5472 2.6958 2.6958 2.8192 2.8192 2.9264 2.9264 3.0163 3.0163 3.0798 3.0798 3.3207 3.3207 3.5384 3.5384 3.7560 3.7560 3.8384 3.8384 4.0302 4.0302 4.1527 4.1527 4.1924 4.1924 4.2982 4.2982 4.3704 4.3704 4.4310 4.4310 4.5394 4.5394 4.8651 4.8651 5.1638 5.1638 6.3502 6.3502 7.0958 7.0958 9.4177 9.4177 9.5623 9.5623 11.0404 11.0404 12.0217 12.0217 12.4194 12.4194 12.9847 12.9847 k = 0.2180 0.1259 0.3560 ( 7768 PWs) bands (ev): -44.1356 -44.1356 -44.1331 -44.1331 -16.1957 -16.1957 -16.1820 -16.1820 -16.0238 -16.0238 -16.0153 -16.0153 -16.0037 -16.0037 -15.9960 -15.9960 1.6254 1.6254 2.4164 2.4164 2.5343 2.5343 2.6670 2.6670 2.8072 2.8072 2.9144 2.9144 3.0016 3.0016 3.0511 3.0511 3.2919 3.2919 3.5206 3.5206 3.7857 3.7857 3.8548 3.8548 4.0461 4.0461 4.1639 4.1639 4.2406 4.2406 4.3039 4.3039 4.3745 4.3745 4.4384 4.4384 4.5491 4.5491 4.8927 4.8927 5.1834 5.1834 6.4417 6.4417 7.1813 7.1813 9.4436 9.4436 9.6363 9.6363 10.9299 10.9299 11.9419 11.9419 12.3731 12.3731 12.9428 12.9428 k = 0.2093 0.1208 0.3418 ( 7770 PWs) bands (ev): -44.1357 -44.1357 -44.1330 -44.1330 -16.1960 -16.1960 -16.1817 -16.1817 -16.0237 -16.0237 -16.0157 -16.0157 -16.0033 -16.0033 -15.9961 -15.9961 1.5884 1.5884 2.4047 2.4047 2.5212 2.5212 2.6388 2.6388 2.7957 2.7957 2.9019 2.9019 2.9831 2.9831 3.0257 3.0257 3.2619 3.2619 3.4953 3.4953 3.8173 3.8173 3.8791 3.8791 4.0618 4.0618 4.1700 4.1700 4.2897 4.2897 4.3147 4.3147 4.3797 4.3797 4.4466 4.4466 4.5599 4.5599 4.9209 4.9209 5.2024 5.2024 6.5357 6.5357 7.2698 7.2698 9.4648 9.4648 9.7135 9.7135 10.8221 10.8221 11.8684 11.8684 12.3293 12.3293 12.9003 12.9003 k = 0.2006 0.1158 0.3275 ( 7766 PWs) bands (ev): -44.1357 -44.1357 -44.1330 -44.1330 -16.1962 -16.1962 -16.1813 -16.1813 -16.0236 -16.0236 -16.0162 -16.0162 -16.0029 -16.0029 -15.9962 -15.9962 1.5515 1.5515 2.3934 2.3934 2.5079 2.5079 2.6111 2.6111 2.7846 2.7846 2.8889 2.8889 2.9582 2.9582 3.0065 3.0065 3.2310 3.2310 3.4671 3.4671 3.8491 3.8491 3.9083 3.9083 4.0771 4.0771 4.1757 4.1757 4.3085 4.3085 4.3516 4.3516 4.3887 4.3887 4.4561 4.4561 4.5728 4.5728 4.9494 4.9494 5.2206 5.2206 6.6324 6.6324 7.3611 7.3611 9.4815 9.4815 9.7933 9.7933 10.7169 10.7169 11.8013 11.8013 12.2880 12.2880 12.8575 12.8575 k = 0.1919 0.1108 0.3133 ( 7772 PWs) bands (ev): -44.1358 -44.1358 -44.1329 -44.1329 -16.1965 -16.1965 -16.1810 -16.1810 -16.0235 -16.0235 -16.0166 -16.0166 -16.0025 -16.0025 -15.9963 -15.9963 1.5150 1.5150 2.3826 2.3826 2.4944 2.4944 2.5841 2.5841 2.7740 2.7740 2.8754 2.8754 2.9281 2.9281 2.9926 2.9926 3.1997 3.1997 3.4391 3.4391 3.8801 3.8801 3.9405 3.9405 4.0919 4.0919 4.1817 4.1817 4.3153 4.3153 4.3774 4.3774 4.4152 4.4152 4.4684 4.4684 4.5899 4.5899 4.9781 4.9781 5.2382 5.2382 6.7316 6.7316 7.4550 7.4550 9.4934 9.4934 9.8753 9.8753 10.6145 10.6145 11.7410 11.7410 12.2491 12.2491 12.8149 12.8149 k = 0.1831 0.1057 0.2991 ( 7764 PWs) bands (ev): -44.1358 -44.1358 -44.1329 -44.1329 -16.1968 -16.1968 -16.1806 -16.1806 -16.0234 -16.0234 -16.0171 -16.0171 -16.0021 -16.0021 -15.9964 -15.9964 1.4789 1.4789 2.3723 2.3723 2.4807 2.4807 2.5579 2.5579 2.7638 2.7638 2.8614 2.8614 2.8954 2.8954 2.9816 2.9816 3.1687 3.1687 3.4124 3.4124 3.9100 3.9100 3.9743 3.9743 4.1059 4.1059 4.1884 4.1884 4.3211 4.3211 4.3857 4.3857 4.4459 4.4459 4.4880 4.4880 4.6148 4.6148 5.0070 5.0070 5.2551 5.2551 6.8335 6.8335 7.5513 7.5513 9.5005 9.5005 9.9591 9.9591 10.5151 10.5151 11.6876 11.6876 12.2125 12.2125 12.7725 12.7725 k = 0.1744 0.1007 0.2848 ( 7770 PWs) bands (ev): -44.1359 -44.1359 -44.1328 -44.1328 -16.1970 -16.1970 -16.1803 -16.1803 -16.0233 -16.0233 -16.0175 -16.0175 -16.0018 -16.0018 -15.9965 -15.9965 1.4435 1.4435 2.3624 2.3624 2.4668 2.4668 2.5326 2.5326 2.7541 2.7541 2.8470 2.8470 2.8616 2.8616 2.9722 2.9722 3.1385 3.1385 3.3878 3.3878 3.9386 3.9386 4.0084 4.0084 4.1189 4.1189 4.1961 4.1961 4.3266 4.3266 4.3913 4.3913 4.4633 4.4633 4.5124 4.5124 4.6510 4.6510 5.0359 5.0359 5.2713 5.2713 6.9379 6.9379 7.6499 7.6499 9.5027 9.5027 10.0444 10.0444 10.4191 10.4191 11.6410 11.6410 12.1781 12.1781 12.7303 12.7303 k = 0.1657 0.0957 0.2706 ( 7762 PWs) bands (ev): -44.1359 -44.1359 -44.1328 -44.1328 -16.1973 -16.1973 -16.1799 -16.1799 -16.0232 -16.0232 -16.0179 -16.0179 -16.0014 -16.0014 -15.9966 -15.9966 1.4087 1.4087 2.3530 2.3530 2.4527 2.4527 2.5081 2.5081 2.7449 2.7449 2.8271 2.8271 2.8326 2.8326 2.9638 2.9638 3.1097 3.1097 3.3654 3.3654 3.9659 3.9659 4.0421 4.0421 4.1306 4.1306 4.2050 4.2050 4.3321 4.3321 4.3963 4.3963 4.4748 4.4748 4.5323 4.5323 4.6979 4.6979 5.0647 5.0647 5.2869 5.2869 7.0447 7.0447 7.7506 7.7506 9.5002 9.5002 10.1298 10.1298 10.3276 10.3276 11.6012 11.6012 12.1459 12.1459 12.6882 12.6882 k = 0.1570 0.0906 0.2563 ( 7756 PWs) bands (ev): -44.1360 -44.1360 -44.1327 -44.1327 -16.1975 -16.1975 -16.1796 -16.1796 -16.0231 -16.0231 -16.0182 -16.0182 -16.0010 -16.0010 -15.9967 -15.9967 1.3748 1.3748 2.3441 2.3441 2.4385 2.4385 2.4847 2.4847 2.7361 2.7361 2.7931 2.7931 2.8177 2.8177 2.9562 2.9562 3.0828 3.0828 3.3450 3.3450 3.9917 3.9917 4.0748 4.0748 4.1410 4.1410 4.2152 4.2152 4.3375 4.3375 4.4010 4.4010 4.4845 4.4845 4.5467 4.5467 4.7513 4.7513 5.0934 5.0934 5.3018 5.3018 7.1539 7.1539 7.8530 7.8530 9.4930 9.4930 10.1981 10.1981 10.2579 10.2579 11.5680 11.5680 12.1158 12.1158 12.6462 12.6462 k = 0.1483 0.0856 0.2421 ( 7752 PWs) bands (ev): -44.1360 -44.1360 -44.1327 -44.1327 -16.1977 -16.1977 -16.1793 -16.1793 -16.0230 -16.0230 -16.0186 -16.0186 -16.0007 -16.0007 -15.9968 -15.9968 1.3419 1.3419 2.3357 2.3357 2.4242 2.4242 2.4623 2.4623 2.7278 2.7278 2.7594 2.7594 2.8028 2.8028 2.9491 2.9491 3.0581 3.0581 3.3265 3.3265 4.0159 4.0159 4.1059 4.1059 4.1500 4.1500 4.2269 4.2269 4.3430 4.3430 4.4057 4.4057 4.4936 4.4936 4.5575 4.5575 4.8074 4.8074 5.1219 5.1219 5.3160 5.3160 7.2651 7.2651 7.9570 7.9570 9.4815 9.4815 10.1403 10.1403 10.3187 10.3187 11.5409 11.5409 12.0876 12.0876 12.6040 12.6040 k = 0.1395 0.0806 0.2279 ( 7754 PWs) bands (ev): -44.1361 -44.1361 -44.1326 -44.1326 -16.1979 -16.1979 -16.1789 -16.1789 -16.0229 -16.0229 -16.0190 -16.0190 -16.0004 -16.0004 -15.9969 -15.9969 1.3100 1.3100 2.3277 2.3277 2.4100 2.4100 2.4409 2.4409 2.7200 2.7200 2.7263 2.7263 2.7881 2.7881 2.9426 2.9426 3.0355 3.0355 3.3097 3.3097 4.0384 4.0384 4.1346 4.1346 4.1584 4.1584 4.2399 4.2399 4.3485 4.3485 4.4103 4.4103 4.5026 4.5026 4.5662 4.5662 4.8639 4.8639 5.1500 5.1500 5.3297 5.3297 7.3781 7.3781 8.0623 8.0623 9.4664 9.4664 10.0592 10.0592 10.4073 10.4073 11.5195 11.5195 12.0614 12.0614 12.5613 12.5613 k = 0.1308 0.0755 0.2136 ( 7750 PWs) bands (ev): -44.1361 -44.1361 -44.1326 -44.1326 -16.1981 -16.1981 -16.1786 -16.1786 -16.0228 -16.0228 -16.0193 -16.0193 -16.0001 -16.0001 -15.9970 -15.9970 1.2794 1.2794 2.3203 2.3203 2.3957 2.3957 2.4207 2.4207 2.6942 2.6942 2.7127 2.7127 2.7738 2.7738 2.9366 2.9366 3.0152 3.0152 3.2946 3.2946 4.0592 4.0592 4.1559 4.1559 4.1709 4.1709 4.2536 4.2536 4.3542 4.3542 4.4149 4.4149 4.5116 4.5116 4.5736 4.5736 4.9196 4.9196 5.1777 5.1777 5.3427 5.3427 7.4925 7.4925 8.1685 8.1685 9.4481 9.4481 9.9801 9.9801 10.4981 10.4981 11.5031 11.5031 12.0370 12.0370 12.5179 12.5179 k = 0.1221 0.0705 0.1994 ( 7758 PWs) bands (ev): -44.1362 -44.1362 -44.1326 -44.1326 -16.1983 -16.1983 -16.1784 -16.1784 -16.0227 -16.0227 -16.0196 -16.0196 -15.9998 -15.9998 -15.9971 -15.9971 1.2502 1.2502 2.3133 2.3133 2.3817 2.3817 2.4016 2.4016 2.6634 2.6634 2.7058 2.7058 2.7599 2.7599 2.9310 2.9310 2.9970 2.9970 3.2809 3.2809 4.0781 4.0781 4.1646 4.1646 4.1930 4.1930 4.2676 4.2676 4.3602 4.3602 4.4195 4.4195 4.5207 4.5207 4.5801 4.5801 4.9734 4.9734 5.2050 5.2050 5.3551 5.3551 7.6078 7.6078 8.2753 8.2753 9.4275 9.4275 9.9044 9.9044 10.5896 10.5896 11.4911 11.4911 12.0143 12.0143 12.4733 12.4733 k = 0.1134 0.0655 0.1851 ( 7760 PWs) bands (ev): -44.1362 -44.1362 -44.1325 -44.1325 -16.1985 -16.1985 -16.1781 -16.1781 -16.0226 -16.0226 -16.0200 -16.0200 -15.9996 -15.9996 -15.9972 -15.9972 1.2224 1.2224 2.3069 2.3069 2.3680 2.3680 2.3837 2.3837 2.6340 2.6340 2.6994 2.6994 2.7466 2.7466 2.9258 2.9258 2.9807 2.9807 3.2685 3.2685 4.0952 4.0952 4.1694 4.1694 4.2159 4.2159 4.2813 4.2813 4.3666 4.3666 4.4241 4.4241 4.5300 4.5300 4.5860 4.5860 5.0247 5.0247 5.2317 5.2317 5.3669 5.3669 7.7235 7.7235 8.3823 8.3823 9.4055 9.4055 9.8326 9.8326 10.6811 10.6811 11.4828 11.4828 11.9933 11.9933 12.4273 12.4273 k = 0.1047 0.0604 0.1709 ( 7760 PWs) bands (ev): -44.1362 -44.1362 -44.1325 -44.1325 -16.1987 -16.1987 -16.1778 -16.1778 -16.0225 -16.0225 -16.0202 -16.0202 -15.9993 -15.9993 -15.9973 -15.9973 1.1962 1.1962 2.3009 2.3009 2.3546 2.3546 2.3670 2.3670 2.6063 2.6063 2.6935 2.6935 2.7340 2.7340 2.9209 2.9209 2.9663 2.9663 3.2574 3.2574 4.1106 4.1106 4.1731 4.1731 4.2372 4.2372 4.2942 4.2942 4.3734 4.3734 4.4286 4.4286 4.5395 4.5395 4.5913 4.5913 5.0729 5.0729 5.2578 5.2578 5.3783 5.3783 7.8388 7.8388 8.4888 8.4888 9.3830 9.3830 9.7649 9.7649 10.7719 10.7719 11.4776 11.4776 11.9739 11.9739 12.3794 12.3794 k = 0.0959 0.0554 0.1567 ( 7767 PWs) bands (ev): -44.1363 -44.1363 -44.1325 -44.1325 -16.1989 -16.1989 -16.1776 -16.1776 -16.0224 -16.0224 -16.0205 -16.0205 -15.9991 -15.9991 -15.9974 -15.9974 1.1716 1.1716 2.2954 2.2954 2.3418 2.3418 2.3515 2.3515 2.5804 2.5804 2.6880 2.6880 2.7223 2.7223 2.9165 2.9165 2.9535 2.9535 3.2474 3.2474 4.1243 4.1243 4.1762 4.1762 4.2566 4.2566 4.3056 4.3056 4.3808 4.3808 4.4332 4.4332 4.5492 4.5492 4.5962 4.5962 5.1176 5.1176 5.2833 5.2833 5.3891 5.3891 7.9526 7.9526 8.5943 8.5943 9.3610 9.3610 9.7016 9.7016 10.8616 10.8616 11.4747 11.4747 11.9560 11.9560 12.3294 12.3294 k = 0.0872 0.0504 0.1424 ( 7773 PWs) bands (ev): -44.1363 -44.1363 -44.1324 -44.1324 -16.1991 -16.1991 -16.1774 -16.1774 -16.0223 -16.0223 -16.0208 -16.0208 -15.9989 -15.9989 -15.9975 -15.9975 1.1489 1.1489 2.2904 2.2904 2.3295 2.3295 2.3374 2.3374 2.5565 2.5565 2.6830 2.6830 2.7115 2.7115 2.9124 2.9124 2.9422 2.9422 3.2386 3.2386 4.1364 4.1364 4.1787 4.1787 4.2739 4.2739 4.3155 4.3155 4.3885 4.3885 4.4377 4.4377 4.5590 4.5590 4.6007 4.6007 5.1582 5.1582 5.3081 5.3081 5.3995 5.3995 8.0638 8.0638 8.6980 8.6980 9.3407 9.3407 9.6428 9.6428 10.9494 10.9494 11.4736 11.4736 11.9395 11.9395 12.2773 12.2773 k = 0.0785 0.0453 0.1282 ( 7767 PWs) bands (ev): -44.1363 -44.1363 -44.1324 -44.1324 -16.1992 -16.1992 -16.1772 -16.1772 -16.0223 -16.0223 -16.0210 -16.0210 -15.9987 -15.9987 -15.9976 -15.9976 1.1280 1.1280 2.2858 2.2858 2.3181 2.3181 2.3245 2.3245 2.5347 2.5347 2.6785 2.6785 2.7016 2.7016 2.9087 2.9087 2.9323 2.9323 3.2307 3.2307 4.1471 4.1471 4.1808 4.1808 4.2892 4.2892 4.3236 4.3236 4.3964 4.3964 4.4422 4.4422 4.5688 4.5688 4.6048 4.6048 5.1944 5.1944 5.3321 5.3321 5.4094 5.4094 8.1709 8.1709 8.7990 8.7990 9.3231 9.3231 9.5889 9.5889 11.0344 11.0344 11.4739 11.4739 11.9242 11.9242 12.2230 12.2230 k = 0.0698 0.0403 0.1139 ( 7765 PWs) bands (ev): -44.1364 -44.1364 -44.1324 -44.1324 -16.1993 -16.1993 -16.1770 -16.1770 -16.0222 -16.0222 -16.0212 -16.0212 -15.9985 -15.9985 -15.9976 -15.9976 1.1091 1.1091 2.2818 2.2818 2.3076 2.3076 2.3128 2.3128 2.5150 2.5150 2.6745 2.6745 2.6928 2.6928 2.9054 2.9054 2.9237 2.9237 3.2239 3.2239 4.1563 4.1563 4.1826 4.1826 4.3027 4.3027 4.3301 4.3301 4.4042 4.4042 4.4464 4.4464 4.5785 4.5785 4.6086 4.6086 5.2259 5.2259 5.3553 5.3553 5.4188 5.4188 8.2721 8.2721 8.8962 8.8962 9.3096 9.3096 9.5400 9.5400 11.1159 11.1159 11.4751 11.4751 11.9102 11.9102 12.1670 12.1670 k = 0.0610 0.0352 0.0997 ( 7755 PWs) bands (ev): -44.1364 -44.1364 -44.1323 -44.1323 -16.1994 -16.1994 -16.1769 -16.1769 -16.0221 -16.0221 -16.0213 -16.0213 -15.9984 -15.9984 -15.9977 -15.9977 1.0922 1.0922 2.2782 2.2782 2.2980 2.2980 2.3025 2.3025 2.4975 2.4975 2.6710 2.6710 2.6850 2.6850 2.9024 2.9024 2.9163 2.9163 3.2180 3.2180 4.1643 4.1643 4.1842 4.1842 4.3142 4.3142 4.3354 4.3354 4.4115 4.4115 4.4505 4.4505 4.5878 4.5878 4.6120 4.6120 5.2526 5.2526 5.3773 5.3773 5.4277 5.4277 8.3654 8.3654 8.9884 8.9884 9.3011 9.3011 9.4963 9.4963 11.1928 11.1928 11.4770 11.4770 11.8971 11.8971 12.1104 12.1104 k = 0.0523 0.0302 0.0854 ( 7763 PWs) bands (ev): -44.1364 -44.1364 -44.1323 -44.1323 -16.1995 -16.1995 -16.1767 -16.1767 -16.0221 -16.0221 -16.0215 -16.0215 -15.9982 -15.9982 -15.9978 -15.9978 1.0774 1.0774 2.2751 2.2751 2.2896 2.2896 2.2935 2.2935 2.4823 2.4823 2.6679 2.6679 2.6782 2.6782 2.8999 2.8999 2.9099 2.9099 3.2129 3.2129 4.1710 4.1710 4.1854 4.1854 4.3240 4.3240 4.3395 4.3395 4.4181 4.4181 4.4542 4.4542 4.5965 4.5965 4.6149 4.6149 5.2747 5.2747 5.3979 5.3979 5.4360 5.4360 8.4484 8.4484 9.0740 9.0740 9.2985 9.2985 9.4581 9.4581 11.2639 11.2639 11.4793 11.4793 11.8849 11.8849 12.0545 12.0545 k = 0.0436 0.0252 0.0712 ( 7775 PWs) bands (ev): -44.1364 -44.1364 -44.1323 -44.1323 -16.1996 -16.1996 -16.1766 -16.1766 -16.0220 -16.0220 -16.0216 -16.0216 -15.9982 -15.9982 -15.9978 -15.9978 1.0648 1.0648 2.2724 2.2724 2.2824 2.2824 2.2859 2.2859 2.4694 2.4694 2.6653 2.6653 2.6724 2.6724 2.8977 2.8977 2.9046 2.9046 3.2087 3.2087 4.1766 4.1766 4.1865 4.1865 4.3320 4.3320 4.3427 4.3427 4.4239 4.4239 4.4575 4.4575 4.6043 4.6043 4.6175 4.6175 5.2924 5.2924 5.4164 5.4164 5.4434 5.4434 8.5192 8.5192 9.1512 9.1512 9.3021 9.3021 9.4254 9.4254 11.3280 11.3280 11.4819 11.4819 11.8733 11.8733 12.0013 12.0013 k = 0.0349 0.0201 0.0570 ( 7775 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1996 -16.1996 -16.1765 -16.1765 -16.0220 -16.0220 -16.0217 -16.0217 -15.9981 -15.9981 -15.9979 -15.9979 1.0545 1.0545 2.2702 2.2702 2.2764 2.2764 2.2796 2.2796 2.4588 2.4588 2.6631 2.6631 2.6677 2.6677 2.8959 2.8959 2.9003 2.9003 3.2053 3.2053 4.1811 4.1811 4.1873 4.1873 4.3384 4.3384 4.3452 4.3452 4.4287 4.4287 4.4603 4.4603 4.6111 4.6111 4.6197 4.6197 5.3061 5.3061 5.4323 5.4323 5.4499 5.4499 8.5763 8.5763 9.2182 9.2182 9.3111 9.3111 9.3987 9.3987 11.3835 11.3835 11.4845 11.4845 11.8615 11.8615 11.9535 11.9535 k = 0.0262 0.0151 0.0427 ( 7779 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1997 -16.1997 -16.1765 -16.1765 -16.0220 -16.0220 -16.0218 -16.0218 -15.9980 -15.9980 -15.9979 -15.9979 1.0463 1.0463 2.2684 2.2684 2.2717 2.2717 2.2747 2.2747 2.4506 2.4506 2.6615 2.6615 2.6640 2.6640 2.8945 2.8945 2.8971 2.8971 3.2027 3.2027 4.1846 4.1846 4.1880 4.1880 4.3433 4.3433 4.3471 4.3471 4.4325 4.4325 4.4625 4.4625 4.6166 4.6166 4.6214 4.6214 5.3163 5.3163 5.4453 5.4453 5.4552 5.4552 8.6194 8.6194 9.2728 9.2728 9.3234 9.3234 9.3782 9.3782 11.4292 11.4292 11.4872 11.4872 11.8484 11.8484 11.9145 11.9145 k = 0.0174 0.0101 0.0285 ( 7791 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0219 -16.0219 -15.9980 -15.9980 -15.9980 -15.9980 1.0405 1.0405 2.2669 2.2669 2.2683 2.2683 2.2714 2.2714 2.4447 2.4447 2.6603 2.6603 2.6614 2.6614 2.8935 2.8935 2.8947 2.8947 3.2008 3.2008 4.1870 4.1870 4.1884 4.1884 4.3467 4.3467 4.3483 4.3483 4.4353 4.4353 4.4641 4.4641 4.6206 4.6206 4.6226 4.6226 5.3233 5.3233 5.4548 5.4548 5.4591 5.4591 8.6489 8.6489 9.3125 9.3125 9.3354 9.3354 9.3649 9.3649 11.4634 11.4634 11.4895 11.4895 11.8324 11.8324 11.8880 11.8880 k = 0.0087 0.0050 0.0142 ( 7799 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0220 -16.0220 -15.9980 -15.9980 -15.9980 -15.9980 1.0370 1.0370 2.2659 2.2659 2.2663 2.2663 2.2696 2.2696 2.4412 2.4412 2.6596 2.6596 2.6599 2.6599 2.8929 2.8929 2.8933 2.8933 3.1997 3.1997 4.1884 4.1884 4.1888 4.1888 4.3487 4.3487 4.3491 4.3491 4.4369 4.4369 4.4651 4.4651 4.6230 4.6230 4.6235 4.6235 5.3274 5.3274 5.4606 5.4606 5.4616 5.4616 8.6659 8.6659 9.3351 9.3351 9.3415 9.3415 9.3617 9.3617 11.4846 11.4846 11.4912 11.4912 11.8164 11.8164 11.8746 11.8746 k = 0.0000 0.0000 0.0000 ( 7799 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0220 -16.0220 -15.9980 -15.9980 -15.9980 -15.9980 1.0358 1.0358 2.2655 2.2655 2.2656 2.2656 2.2690 2.2690 2.4400 2.4400 2.6593 2.6593 2.6594 2.6594 2.8926 2.8926 2.8929 2.8929 3.1994 3.1994 4.1887 4.1887 4.1891 4.1891 4.3492 4.3492 4.3495 4.3495 4.4375 4.4375 4.4654 4.4654 4.6235 4.6235 4.6240 4.6240 5.3288 5.3288 5.4623 5.4623 5.4626 5.4626 8.6714 8.6714 9.3418 9.3418 9.3418 9.3418 9.3637 9.3637 11.4918 11.4918 11.4918 11.4918 11.8095 11.8095 11.8707 11.8707 k = 0.0000 0.0000 0.0000 ( 7799 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0220 -16.0220 -15.9980 -15.9980 -15.9980 -15.9980 1.0358 1.0358 2.2655 2.2655 2.2656 2.2656 2.2690 2.2690 2.4400 2.4400 2.6593 2.6593 2.6594 2.6594 2.8926 2.8926 2.8929 2.8929 3.1994 3.1994 4.1887 4.1887 4.1891 4.1891 4.3492 4.3492 4.3495 4.3495 4.4375 4.4375 4.4654 4.4654 4.6235 4.6235 4.6240 4.6240 5.3288 5.3288 5.4623 5.4623 5.4626 5.4626 8.6714 8.6714 9.3418 9.3418 9.3418 9.3418 9.3637 9.3637 11.4918 11.4918 11.4918 11.4918 11.8095 11.8095 11.8707 11.8707 k = 0.0143 0.0082 0.0058 ( 7799 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0220 -16.0220 -15.9980 -15.9980 -15.9980 -15.9980 1.0370 1.0370 2.2660 2.2660 2.2662 2.2662 2.2695 2.2695 2.4412 2.4412 2.6597 2.6597 2.6598 2.6598 2.8929 2.8929 2.8933 2.8933 3.1997 3.1997 4.1882 4.1882 4.1890 4.1890 4.3486 4.3486 4.3492 4.3492 4.4369 4.4369 4.4651 4.4651 4.6227 4.6227 4.6237 4.6237 5.3274 5.3274 5.4603 5.4603 5.4618 5.4618 8.6658 8.6658 9.3339 9.3339 9.3427 9.3427 9.3618 9.3618 11.4878 11.4878 11.4879 11.4879 11.8163 11.8163 11.8739 11.8739 k = 0.0286 0.0165 0.0117 ( 7793 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1998 -16.1998 -16.1764 -16.1764 -16.0220 -16.0220 -16.0219 -16.0219 -15.9980 -15.9980 -15.9980 -15.9980 1.0405 1.0405 2.2671 2.2671 2.2682 2.2682 2.2714 2.2714 2.4447 2.4447 2.6607 2.6607 2.6610 2.6610 2.8936 2.8936 2.8946 2.8946 3.2009 3.2009 4.1867 4.1867 4.1887 4.1887 4.3465 4.3465 4.3485 4.3485 4.4352 4.4352 4.4641 4.4641 4.6202 4.6202 4.6230 4.6230 5.3233 5.3233 5.4542 5.4542 5.4597 5.4597 8.6485 8.6485 9.3061 9.3061 9.3453 9.3453 9.3618 9.3618 11.4760 11.4760 11.4764 11.4764 11.8323 11.8323 11.8835 11.8835 k = 0.0429 0.0247 0.0175 ( 7778 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1997 -16.1997 -16.1765 -16.1765 -16.0220 -16.0220 -16.0218 -16.0218 -15.9980 -15.9980 -15.9979 -15.9979 1.0464 1.0464 2.2686 2.2686 2.2716 2.2716 2.2747 2.2747 2.4507 2.4507 2.6624 2.6624 2.6632 2.6632 2.8947 2.8947 2.8969 2.8969 3.2027 3.2027 4.1841 4.1841 4.1884 4.1884 4.3428 4.3428 4.3475 4.3475 4.4325 4.4325 4.4625 4.4625 4.6159 4.6159 4.6220 4.6220 5.3161 5.3161 5.4440 5.4440 5.4565 5.4565 8.6175 8.6175 9.2619 9.2619 9.3495 9.3495 9.3651 9.3651 11.4569 11.4569 11.4577 11.4577 11.8524 11.8524 11.8991 11.8991 k = 0.0571 0.0330 0.0233 ( 7778 PWs) bands (ev): -44.1365 -44.1365 -44.1323 -44.1323 -16.1996 -16.1996 -16.1766 -16.1766 -16.0220 -16.0220 -16.0217 -16.0217 -15.9981 -15.9981 -15.9979 -15.9979 1.0546 1.0546 2.2704 2.2704 2.2763 2.2763 2.2796 2.2796 2.4590 2.4590 2.6647 2.6647 2.6662 2.6662 2.8961 2.8961 2.9002 2.9002 3.2053 3.2053 4.1804 4.1804 4.1880 4.1880 4.3374 4.3374 4.3460 4.3460 4.4288 4.4288 4.4602 4.4602 4.6102 4.6102 4.6205 4.6205 5.3057 5.3057 5.4299 5.4299 5.4525 5.4525 8.5705 8.5705 9.2093 9.2093 9.3554 9.3554 9.3706 9.3706 11.4313 11.4313 11.4326 11.4326 11.8764 11.8764 11.9206 11.9206 k = 0.0714 0.0412 0.0292 ( 7766 PWs) bands (ev): -44.1364 -44.1364 -44.1323 -44.1323 -16.1996 -16.1996 -16.1766 -16.1766 -16.0221 -16.0221 -16.0216 -16.0216 -15.9982 -15.9982 -15.9978 -15.9978 1.0650 1.0650 2.2727 2.2727 2.2822 2.2822 2.2860 2.2860 2.4696 2.4696 2.6677 2.6677 2.6700 2.6700 2.8980 2.8980 2.9045 2.9045 3.2088 3.2088 4.1756 4.1756 4.1874 4.1874 4.3302 4.3302 4.3442 4.3442 4.4240 4.4240 4.4573 4.4573 4.6031 4.6031 4.6186 4.6186 5.2917 5.2917 5.4119 5.4119 5.4482 5.4482 8.5047 8.5047 9.1559 9.1559 9.3627 9.3627 9.3779 9.3779 11.3999 11.3999 11.4017 11.4017 11.9052 11.9052 11.9477 11.9477 k = 0.0857 0.0495 0.0350 ( 7760 PWs) bands (ev): -44.1364 -44.1364 -44.1323 -44.1323 -16.1995 -16.1995 -16.1767 -16.1767 -16.0221 -16.0221 -16.0214 -16.0214 -15.9983 -15.9983 -15.9977 -15.9977 1.0776 1.0776 2.2754 2.2754 2.2893 2.2893 2.2937 2.2937 2.4826 2.4826 2.6715 2.6715 2.6748 2.6748 2.9003 2.9003 2.9097 2.9097 3.2130 3.2130 4.1696 4.1696 4.1867 4.1867 4.3209 4.3209 4.3422 4.3422 4.4184 4.4184 4.4537 4.4537 4.5951 4.5951 4.6163 4.6163 5.2739 5.2739 5.3904 5.3904 5.4440 5.4440 8.4190 8.4190 9.1072 9.1072 9.3715 9.3715 9.3868 9.3868 11.3634 11.3634 11.3659 11.3659 11.9389 11.9389 11.9802 11.9802 k = 0.1000 0.0577 0.0408 ( 7766 PWs) bands (ev): -44.1364 -44.1364 -44.1323 -44.1323 -16.1994 -16.1994 -16.1769 -16.1769 -16.0222 -16.0222 -16.0213 -16.0213 -15.9984 -15.9984 -15.9977 -15.9977 1.0924 1.0924 2.2786 2.2786 2.2976 2.2976 2.3027 2.3027 2.4979 2.4979 2.6759 2.6759 2.6803 2.6803 2.9031 2.9031 2.9160 2.9160 3.2181 3.2181 4.1624 4.1624 4.1858 4.1858 4.3094 4.3094 4.3398 4.3398 4.4119 4.4119 4.4495 4.4495 4.5862 4.5862 4.6137 4.6137 5.2522 5.2522 5.3653 5.3653 5.4400 5.4400 8.3142 8.3142 9.0659 9.0659 9.3816 9.3816 9.3970 9.3970 11.3226 11.3226 11.3257 11.3257 11.9778 11.9778 12.0179 12.0179 k = 0.1143 0.0660 0.0467 ( 7766 PWs) bands (ev): -44.1364 -44.1364 -44.1324 -44.1324 -16.1993 -16.1993 -16.1770 -16.1770 -16.0223 -16.0223 -16.0211 -16.0211 -15.9986 -15.9986 -15.9976 -15.9976 1.1092 1.1092 2.2822 2.2822 2.3070 2.3070 2.3130 2.3130 2.5154 2.5154 2.6812 2.6812 2.6867 2.6867 2.9065 2.9065 2.9233 2.9233 3.2241 3.2241 4.1540 4.1540 4.1847 4.1847 4.2955 4.2955 4.3373 4.3373 4.4045 4.4045 4.4446 4.4446 4.5771 4.5771 4.6106 4.6106 5.2268 5.2268 5.3371 5.3371 5.4365 5.4365 8.1931 8.1931 9.0322 9.0322 9.3928 9.3928 9.4085 9.4085 11.2781 11.2781 11.2820 11.2820 12.0218 12.0218 12.0609 12.0609 k = 0.1286 0.0742 0.0525 ( 7766 PWs) bands (ev): -44.1363 -44.1363 -44.1324 -44.1324 -16.1992 -16.1992 -16.1772 -16.1772 -16.0223 -16.0223 -16.0209 -16.0209 -15.9988 -15.9988 -15.9975 -15.9975 1.1280 1.1280 2.2865 2.2865 2.3174 2.3174 2.3243 2.3243 2.5352 2.5352 2.6872 2.6872 2.6940 2.6940 2.9104 2.9104 2.9317 2.9317 3.2311 3.2311 4.1444 4.1444 4.1834 4.1834 4.2791 4.2791 4.3346 4.3346 4.3958 4.3958 4.4391 4.4391 4.5679 4.5679 4.6070 4.6070 5.1978 5.1978 5.3059 5.3059 5.4335 5.4335 8.0591 8.0591 9.0049 9.0049 9.4050 9.4050 9.4212 9.4212 11.2306 11.2306 11.2354 11.2354 12.0710 12.0710 12.1090 12.1090 k = 0.1429 0.0825 0.0583 ( 7748 PWs) bands (ev): -44.1363 -44.1363 -44.1324 -44.1324 -16.1990 -16.1990 -16.1774 -16.1774 -16.0224 -16.0224 -16.0206 -16.0206 -15.9990 -15.9990 -15.9974 -15.9974 1.1487 1.1487 2.2913 2.2913 2.3287 2.3287 2.3367 2.3367 2.5570 2.5570 2.6940 2.6940 2.7021 2.7021 2.9150 2.9150 2.9412 2.9412 3.2390 3.2390 4.1335 4.1335 4.1816 4.1816 4.2604 4.2604 4.3317 4.3317 4.3857 4.3857 4.4333 4.4333 4.5591 4.5591 4.6031 4.6031 5.1655 5.1655 5.2721 5.2721 5.4309 5.4309 7.9157 7.9157 8.9826 8.9826 9.4182 9.4182 9.4349 9.4349 11.1806 11.1806 11.1866 11.1866 12.1254 12.1254 12.1622 12.1622 k = 0.1571 0.0907 0.0642 ( 7754 PWs) bands (ev): -44.1363 -44.1363 -44.1325 -44.1325 -16.1989 -16.1989 -16.1776 -16.1776 -16.0225 -16.0225 -16.0204 -16.0204 -15.9992 -15.9992 -15.9973 -15.9973 1.1711 1.1711 2.2967 2.2967 2.3408 2.3408 2.3499 2.3499 2.5807 2.5807 2.7018 2.7018 2.7111 2.7111 2.9204 2.9204 2.9517 2.9517 3.2479 3.2479 4.1214 4.1214 4.1791 4.1791 4.2397 4.2397 4.3288 4.3288 4.3735 4.3735 4.4274 4.4274 4.5510 4.5510 4.5987 4.5987 5.1301 5.1301 5.2359 5.2359 5.4287 5.4287 7.7655 7.7655 8.9638 8.9638 9.4320 9.4320 9.4495 9.4495 11.1288 11.1288 11.1359 11.1359 12.1848 12.1848 12.2204 12.2204 k = 0.1714 0.0990 0.0700 ( 7754 PWs) bands (ev): -44.1362 -44.1362 -44.1325 -44.1325 -16.1987 -16.1987 -16.1778 -16.1778 -16.0226 -16.0226 -16.0201 -16.0201 -15.9994 -15.9994 -15.9972 -15.9972 1.1951 1.1951 2.3027 2.3027 2.3535 2.3535 2.3639 2.3639 2.6062 2.6062 2.7106 2.7106 2.7211 2.7211 2.9269 2.9269 2.9635 2.9635 3.2579 3.2579 4.1081 4.1081 4.1750 4.1750 4.2180 4.2180 4.3258 4.3258 4.3590 4.3590 4.4216 4.4216 4.5438 4.5438 4.5938 4.5938 5.0921 5.0921 5.1976 5.1976 5.4268 5.4268 7.6107 7.6107 8.9477 8.9477 9.4465 9.4465 9.4649 9.4649 11.0756 11.0756 11.0841 11.0841 12.2492 12.2492 12.2835 12.2835 k = 0.1857 0.1072 0.0758 ( 7757 PWs) bands (ev): -44.1362 -44.1362 -44.1325 -44.1325 -16.1985 -16.1985 -16.1781 -16.1781 -16.0227 -16.0227 -16.0198 -16.0198 -15.9997 -15.9997 -15.9971 -15.9971 1.2205 1.2205 2.3094 2.3094 2.3667 2.3667 2.3785 2.3785 2.6330 2.6330 2.7207 2.7207 2.7321 2.7321 2.9347 2.9347 2.9763 2.9763 3.2689 3.2689 4.0935 4.0935 4.1659 4.1659 4.1987 4.1987 4.3227 4.3227 4.3422 4.3422 4.4163 4.4163 4.5375 4.5375 4.5883 4.5883 5.0517 5.0517 5.1576 5.1576 5.4252 5.4252 7.4529 7.4529 8.9335 8.9335 9.4615 9.4615 9.4810 9.4810 11.0214 11.0214 11.0315 11.0315 12.3185 12.3185 12.3514 12.3514 k = 0.2000 0.1155 0.0816 ( 7751 PWs) bands (ev): -44.1362 -44.1362 -44.1325 -44.1325 -16.1983 -16.1983 -16.1784 -16.1784 -16.0228 -16.0228 -16.0194 -16.0194 -16.0000 -16.0000 -15.9970 -15.9970 1.2472 1.2472 2.3168 2.3168 2.3803 2.3803 2.3934 2.3934 2.6606 2.6606 2.7321 2.7321 2.7441 2.7441 2.9442 2.9442 2.9903 2.9903 3.2810 3.2810 4.0778 4.0778 4.1465 4.1465 4.1873 4.1873 4.3195 4.3195 4.3230 4.3230 4.4113 4.4113 4.5321 4.5321 4.5822 4.5822 5.0093 5.0093 5.1164 5.1164 5.4238 5.4238 7.2933 7.2933 8.9208 8.9208 9.4769 9.4769 9.4977 9.4977 10.9668 10.9668 10.9786 10.9786 12.3925 12.3925 12.4240 12.4240 k = 0.2143 0.1237 0.0875 ( 7754 PWs) bands (ev): -44.1361 -44.1361 -44.1326 -44.1326 -16.1981 -16.1981 -16.1787 -16.1787 -16.0229 -16.0229 -16.0191 -16.0191 -16.0003 -16.0003 -15.9969 -15.9969 1.2749 1.2749 2.3249 2.3249 2.3940 2.3940 2.4085 2.4085 2.6879 2.6879 2.7455 2.7455 2.7571 2.7571 2.9561 2.9561 3.0055 3.0055 3.2942 3.2942 4.0610 4.0610 4.1191 4.1191 4.1816 4.1816 4.3016 4.3016 4.3162 4.3162 4.4066 4.4066 4.5275 4.5275 4.5753 4.5753 4.9652 4.9652 5.0743 5.0743 5.4227 5.4227 7.1330 7.1330 8.9091 8.9091 9.4927 9.4927 9.5150 9.5150 10.9119 10.9119 10.9257 10.9257 12.4711 12.4711 12.5012 12.5012 k = 0.2286 0.1320 0.0933 ( 7760 PWs) bands (ev): -44.1361 -44.1361 -44.1326 -44.1326 -16.1979 -16.1979 -16.1790 -16.1790 -16.0231 -16.0231 -16.0187 -16.0187 -16.0006 -16.0006 -15.9968 -15.9968 1.3036 1.3036 2.3339 2.3339 2.4078 2.4078 2.4237 2.4237 2.7137 2.7137 2.7616 2.7616 2.7713 2.7713 2.9712 2.9712 3.0218 3.0218 3.3085 3.3085 4.0432 4.0432 4.0879 4.0879 4.1776 4.1776 4.2784 4.2784 4.3127 4.3127 4.4024 4.4024 4.5236 4.5236 4.5675 4.5675 4.9197 4.9197 5.0318 5.0318 5.4217 5.4217 6.9727 6.9727 8.8984 8.8984 9.5086 9.5086 9.5328 9.5328 10.8572 10.8572 10.8732 10.8732 12.5542 12.5542 12.5828 12.5828 k = 0.2429 0.1402 0.0991 ( 7769 PWs) bands (ev): -44.1361 -44.1361 -44.1327 -44.1327 -16.1977 -16.1977 -16.1793 -16.1793 -16.0232 -16.0232 -16.0184 -16.0184 -16.0010 -16.0010 -15.9967 -15.9967 1.3328 1.3328 2.3437 2.3437 2.4214 2.4214 2.4386 2.4386 2.7364 2.7364 2.7811 2.7811 2.7867 2.7867 2.9904 2.9904 3.0391 3.0391 3.3238 3.3238 4.0246 4.0246 4.0544 4.0544 4.1739 4.1739 4.2536 4.2536 4.3089 4.3089 4.3984 4.3984 4.5203 4.5203 4.5587 4.5587 4.8732 4.8732 4.9894 4.9894 5.4208 5.4208 6.8129 6.8129 8.8884 8.8884 9.5247 9.5247 9.5510 9.5510 10.8029 10.8029 10.8213 10.8213 12.6416 12.6416 12.6686 12.6686 k = 0.2571 0.1485 0.1050 ( 7781 PWs) bands (ev): -44.1360 -44.1360 -44.1327 -44.1327 -16.1975 -16.1975 -16.1796 -16.1796 -16.0233 -16.0233 -16.0180 -16.0180 -16.0014 -16.0014 -15.9966 -15.9966 1.3624 1.3624 2.3544 2.3544 2.4347 2.4347 2.4531 2.4531 2.7553 2.7553 2.8034 2.8034 2.8038 2.8038 3.0146 3.0146 3.0575 3.0575 3.3401 3.3401 4.0051 4.0051 4.0193 4.0193 4.1696 4.1696 4.2277 4.2277 4.3048 4.3048 4.3946 4.3946 4.5175 4.5175 4.5486 4.5486 4.8261 4.8261 4.9477 4.9477 5.4200 5.4200 6.6542 6.6542 8.8790 8.8790 9.5410 9.5410 9.5697 9.5697 10.7492 10.7492 10.7703 10.7703 12.7330 12.7330 12.7584 12.7584 k = 0.2714 0.1567 0.1108 ( 7774 PWs) bands (ev): -44.1360 -44.1360 -44.1328 -44.1328 -16.1973 -16.1973 -16.1799 -16.1799 -16.0234 -16.0234 -16.0176 -16.0176 -16.0017 -16.0017 -15.9964 -15.9964 1.3921 1.3921 2.3661 2.3661 2.4475 2.4475 2.4671 2.4671 2.7713 2.7713 2.8213 2.8213 2.8279 2.8279 3.0448 3.0448 3.0768 3.0768 3.3573 3.3573 3.9832 3.9832 3.9850 3.9850 4.1636 4.1636 4.2019 4.2019 4.3001 4.3001 4.3910 4.3910 4.5152 4.5152 4.5369 4.5369 4.7786 4.7786 4.9075 4.9075 5.4193 5.4193 6.4970 6.4970 8.8702 8.8702 9.5572 9.5572 9.5887 9.5887 10.6964 10.6964 10.7205 10.7205 12.8281 12.8281 12.8521 12.8521 k = 0.2857 0.1650 0.1166 ( 7786 PWs) bands (ev): -44.1359 -44.1359 -44.1328 -44.1328 -16.1971 -16.1971 -16.1802 -16.1802 -16.0235 -16.0235 -16.0173 -16.0173 -16.0020 -16.0020 -15.9963 -15.9963 1.4217 1.4217 2.3787 2.3787 2.4597 2.4597 2.4805 2.4805 2.7852 2.7852 2.8404 2.8404 2.8526 2.8526 3.0812 3.0812 3.0971 3.0971 3.3753 3.3753 3.9466 3.9466 3.9645 3.9645 4.1521 4.1521 4.1800 4.1800 4.2947 4.2947 4.3875 4.3875 4.5131 4.5131 4.5233 4.5233 4.7313 4.7313 4.8694 4.8694 5.4187 5.4187 6.3416 6.3416 8.8620 8.8620 9.5735 9.5735 9.6082 9.6082 10.6445 10.6445 10.6720 10.6720 12.9265 12.9265 12.9492 12.9492 k = 0.3000 0.1732 0.1225 ( 7786 PWs) bands (ev): -44.1359 -44.1359 -44.1329 -44.1329 -16.1969 -16.1969 -16.1805 -16.1805 -16.0236 -16.0236 -16.0168 -16.0168 -16.0024 -16.0024 -15.9962 -15.9962 1.4508 1.4508 2.3923 2.3923 2.4712 2.4712 2.4930 2.4930 2.7972 2.7972 2.8608 2.8608 2.8774 2.8774 3.1180 3.1180 3.1238 3.1238 3.3939 3.3939 3.9098 3.9098 3.9436 3.9436 4.1299 4.1299 4.1673 4.1673 4.2883 4.2883 4.3842 4.3842 4.5078 4.5078 4.5114 4.5114 4.6844 4.6844 4.8342 4.8342 5.4182 5.4182 6.1882 6.1882 8.8542 8.8542 9.5897 9.5897 9.6280 9.6280 10.5938 10.5938 10.6251 10.6251 13.0254 13.0254 13.0496 13.0496 k = 0.3143 0.1815 0.1283 ( 7771 PWs) bands (ev): -44.1358 -44.1358 -44.1329 -44.1329 -16.1966 -16.1966 -16.1808 -16.1808 -16.0237 -16.0237 -16.0164 -16.0164 -16.0028 -16.0028 -15.9961 -15.9961 1.4792 1.4792 2.4068 2.4068 2.4819 2.4819 2.5048 2.5048 2.8076 2.8076 2.8823 2.8823 2.9028 2.9028 3.1396 3.1396 3.1719 3.1719 3.4128 3.4128 3.8736 3.8736 3.9228 3.9228 4.1013 4.1013 4.1592 4.1592 4.2805 4.2805 4.3810 4.3810 4.4904 4.4904 4.5098 4.5098 4.6385 4.6385 4.8025 4.8025 5.4177 5.4177 6.0373 6.0373 8.8470 8.8470 9.6058 9.6058 9.6482 9.6482 10.5444 10.5444 10.5799 10.5799 13.0599 13.0599 13.1395 13.1395 k = 0.3286 0.1897 0.1341 ( 7765 PWs) bands (ev): -44.1358 -44.1358 -44.1330 -44.1330 -16.1964 -16.1964 -16.1811 -16.1811 -16.0238 -16.0238 -16.0160 -16.0160 -16.0031 -16.0031 -15.9960 -15.9960 1.5066 1.5066 2.4222 2.4222 2.4918 2.4918 2.5158 2.5158 2.8163 2.8163 2.9047 2.9047 2.9291 2.9291 3.1616 3.1616 3.2247 3.2247 3.4316 3.4316 3.8387 3.8387 3.9021 3.9021 4.0706 4.0706 4.1516 4.1516 4.2707 4.2707 4.3779 4.3779 4.4714 4.4714 4.5085 4.5085 4.5941 4.5941 4.7747 4.7747 5.4173 5.4173 5.8890 5.8890 8.8403 8.8403 9.6218 9.6218 9.6688 9.6688 10.4964 10.4964 10.5365 10.5365 13.0440 13.0440 13.2453 13.2453 k = 0.3429 0.1979 0.1400 ( 7765 PWs) bands (ev): -44.1357 -44.1357 -44.1330 -44.1330 -16.1961 -16.1961 -16.1814 -16.1814 -16.0239 -16.0239 -16.0155 -16.0155 -16.0035 -16.0035 -15.9959 -15.9959 1.5327 1.5327 2.4382 2.4382 2.5007 2.5007 2.5261 2.5261 2.8235 2.8235 2.9280 2.9280 2.9564 2.9564 3.1837 3.1837 3.2815 3.2815 3.4499 3.4499 3.8064 3.8064 3.8819 3.8819 4.0390 4.0390 4.1432 4.1432 4.2581 4.2581 4.3747 4.3747 4.4517 4.4517 4.5072 4.5072 4.5519 4.5519 4.7511 4.7511 5.4168 5.4168 5.7436 5.7436 8.8340 8.8340 9.6376 9.6376 9.6898 9.6898 10.4498 10.4498 10.4952 10.4952 13.0256 13.0256 13.3550 13.3550 k = 0.3571 0.2062 0.1458 ( 7789 PWs) bands (ev): -44.1357 -44.1357 -44.1331 -44.1331 -16.1960 -16.1960 -16.1818 -16.1818 -16.0240 -16.0240 -16.0152 -16.0152 -16.0040 -16.0040 -15.9959 -15.9959 1.5572 1.5572 2.4546 2.4546 2.5088 2.5088 2.5358 2.5358 2.8294 2.8294 2.9519 2.9519 2.9848 2.9848 3.2057 3.2057 3.3405 3.3405 3.4673 3.4673 3.7781 3.7781 3.8626 3.8626 4.0072 4.0072 4.1333 4.1333 4.2422 4.2422 4.3714 4.3714 4.4325 4.4325 4.5051 4.5051 4.5136 4.5136 4.7314 4.7314 5.4164 5.4164 5.6013 5.6013 8.8283 8.8283 9.6531 9.6531 9.7111 9.7111 10.4049 10.4049 10.4561 10.4561 13.0069 13.0069 13.4667 13.4667 k = 0.3714 0.2144 0.1516 ( 7783 PWs) bands (ev): -44.1356 -44.1356 -44.1331 -44.1331 -16.1957 -16.1957 -16.1820 -16.1820 -16.0241 -16.0241 -16.0148 -16.0148 -16.0043 -16.0043 -15.9958 -15.9958 1.5800 1.5800 2.4709 2.4709 2.5160 2.5160 2.5453 2.5453 2.8343 2.8343 2.9760 2.9760 3.0140 3.0140 3.2271 3.2271 3.3983 3.3983 3.4849 3.4849 3.7562 3.7562 3.8447 3.8447 3.9755 3.9755 4.1213 4.1213 4.2223 4.2223 4.3676 4.3676 4.4150 4.4150 4.4765 4.4765 4.5059 4.5059 4.7153 4.7153 5.4153 5.4153 5.4631 5.4631 8.8230 8.8230 9.6682 9.6682 9.7327 9.7327 10.3616 10.3616 10.4194 10.4194 12.9887 12.9887 13.5794 13.5794 k = 0.3857 0.2227 0.1575 ( 7783 PWs) bands (ev): -44.1356 -44.1356 -44.1331 -44.1331 -16.1955 -16.1955 -16.1823 -16.1823 -16.0241 -16.0241 -16.0143 -16.0143 -16.0047 -16.0047 -15.9957 -15.9957 1.6008 1.6008 2.4867 2.4867 2.5223 2.5223 2.5548 2.5548 2.8383 2.8383 3.0002 3.0002 3.0437 3.0437 3.2474 3.2474 3.4424 3.4424 3.5121 3.5121 3.7436 3.7436 3.8286 3.8286 3.9447 3.9447 4.1068 4.1068 4.1985 4.1985 4.3631 4.3631 4.4001 4.4001 4.4462 4.4462 4.5050 4.5050 4.7022 4.7022 5.3260 5.3260 5.4167 5.4167 8.8183 8.8183 9.6828 9.6828 9.7547 9.7547 10.3202 10.3202 10.3853 10.3853 12.9715 12.9715 13.6922 13.6922 k = 0.4000 0.2309 0.1633 ( 7771 PWs) bands (ev): -44.1356 -44.1356 -44.1332 -44.1332 -16.1953 -16.1953 -16.1826 -16.1826 -16.0242 -16.0242 -16.0139 -16.0139 -16.0050 -16.0050 -15.9957 -15.9957 1.6195 1.6195 2.5011 2.5011 2.5278 2.5278 2.5647 2.5647 2.8416 2.8416 3.0239 3.0239 3.0735 3.0735 3.2662 3.2662 3.4575 3.4575 3.5604 3.5604 3.7434 3.7434 3.8149 3.8149 3.9155 3.9155 4.0896 4.0896 4.1714 4.1714 4.3570 4.3570 4.3881 4.3881 4.4222 4.4222 4.5043 4.5043 4.6918 4.6918 5.1948 5.1948 5.4162 5.4162 8.8141 8.8141 9.6967 9.6967 9.7769 9.7769 10.2807 10.2807 10.3540 10.3540 12.9556 12.9556 13.8040 13.8040 k = 0.4143 0.2392 0.1691 ( 7777 PWs) bands (ev): -44.1355 -44.1355 -44.1332 -44.1332 -16.1952 -16.1952 -16.1828 -16.1828 -16.0243 -16.0243 -16.0136 -16.0136 -16.0053 -16.0053 -15.9956 -15.9956 1.6359 1.6359 2.5136 2.5136 2.5325 2.5325 2.5753 2.5753 2.8443 2.8443 3.0467 3.0467 3.1027 3.1027 3.2830 3.2830 3.4542 3.4542 3.6144 3.6144 3.7592 3.7592 3.8040 3.8040 3.8894 3.8894 4.0695 4.0695 4.1422 4.1422 4.3487 4.3487 4.3789 4.3789 4.4057 4.4057 4.5038 4.5038 4.6835 4.6835 5.0678 5.0678 5.4159 5.4159 8.8105 8.8105 9.7097 9.7097 9.7990 9.7990 10.2434 10.2434 10.3259 10.3259 12.9415 12.9415 13.9102 13.9102 k = 0.4286 0.2474 0.1750 ( 7765 PWs) bands (ev): -44.1355 -44.1355 -44.1332 -44.1332 -16.1950 -16.1950 -16.1829 -16.1829 -16.0243 -16.0243 -16.0132 -16.0132 -16.0056 -16.0056 -15.9955 -15.9955 1.6499 1.6499 2.5235 2.5235 2.5364 2.5364 2.5865 2.5865 2.8465 2.8465 3.0680 3.0680 3.1307 3.1307 3.2971 3.2971 3.4428 3.4428 3.6586 3.6586 3.7940 3.7940 3.7964 3.7964 3.8686 3.8686 4.0472 4.0472 4.1124 4.1124 4.3391 4.3391 4.3719 4.3719 4.3966 4.3966 4.5033 4.5033 4.6770 4.6770 4.9458 4.9458 5.4157 5.4157 8.8074 8.8074 9.7215 9.7215 9.8210 9.8210 10.2086 10.2086 10.3011 10.3011 12.9292 12.9292 14.0103 14.0103 k = 0.4429 0.2557 0.1808 ( 7759 PWs) bands (ev): -44.1355 -44.1355 -44.1333 -44.1333 -16.1949 -16.1949 -16.1831 -16.1831 -16.0244 -16.0244 -16.0128 -16.0128 -16.0059 -16.0059 -15.9955 -15.9955 1.6614 1.6614 2.5310 2.5310 2.5396 2.5396 2.5976 2.5976 2.8482 2.8482 3.0873 3.0873 3.1566 3.1566 3.3082 3.3082 3.4281 3.4281 3.6872 3.6872 3.7922 3.7922 3.8358 3.8358 3.8647 3.8647 4.0242 4.0242 4.0838 4.0838 4.3299 4.3299 4.3668 4.3668 4.3934 4.3934 4.5029 4.5029 4.6720 4.6720 4.8297 4.8297 5.4156 5.4156 8.8048 8.8048 9.7319 9.7319 9.8422 9.8422 10.1768 10.1768 10.2801 10.2801 12.9189 12.9189 14.1020 14.1020 k = 0.4571 0.2639 0.1866 ( 7762 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1947 -16.1947 -16.1832 -16.1832 -16.0244 -16.0244 -16.0126 -16.0126 -16.0062 -16.0062 -15.9955 -15.9955 1.6704 1.6704 2.5364 2.5364 2.5420 2.5420 2.6077 2.6077 2.8496 2.8496 3.1036 3.1036 3.1792 3.1792 3.3163 3.3163 3.4133 3.4133 3.7025 3.7025 3.7911 3.7911 3.8433 3.8433 3.9073 3.9073 4.0059 4.0059 4.0580 4.0580 4.3228 4.3228 4.3632 4.3632 4.3952 4.3952 4.5026 4.5026 4.6683 4.6683 4.7211 4.7211 5.4155 5.4155 8.8029 8.8029 9.7405 9.7405 9.8618 9.8618 10.1489 10.1489 10.2633 10.2633 12.9109 12.9109 14.1815 14.1815 k = 0.4714 0.2722 0.1925 ( 7765 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1947 -16.1947 -16.1833 -16.1833 -16.0244 -16.0244 -16.0124 -16.0124 -16.0064 -16.0064 -15.9954 -15.9954 1.6769 1.6769 2.5399 2.5399 2.5437 2.5437 2.6157 2.6157 2.8506 2.8506 3.1161 3.1161 3.1972 3.1972 3.3215 3.3215 3.4007 3.4007 3.7082 3.7082 3.7920 3.7920 3.8520 3.8520 3.9312 3.9312 4.0137 4.0137 4.0372 4.0372 4.3187 4.3187 4.3607 4.3607 4.4038 4.4038 4.5023 4.5023 4.6228 4.6228 4.6657 4.6657 5.4154 5.4154 8.8014 8.8014 9.7470 9.7470 9.8784 9.8784 10.1263 10.1263 10.2509 10.2509 12.9050 12.9050 14.2440 14.2440 k = 0.4857 0.2804 0.1983 ( 7747 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1833 -16.1833 -16.0244 -16.0244 -16.0122 -16.0122 -16.0065 -16.0065 -15.9953 -15.9953 1.6807 1.6807 2.5420 2.5420 2.5448 2.5448 2.6209 2.6209 2.8512 2.8512 3.1240 3.1240 3.2090 3.2090 3.3244 3.3244 3.3922 3.3922 3.7088 3.7088 3.7936 3.7936 3.8684 3.8684 3.9182 3.9182 4.0235 4.0235 4.0455 4.0455 4.3172 4.3172 4.3593 4.3593 4.4232 4.4232 4.5016 4.5016 4.5408 4.5408 4.6642 4.6642 5.4153 5.4153 8.8006 8.8006 9.7510 9.7510 9.8900 9.8900 10.1112 10.1112 10.2433 10.2433 12.9015 12.9015 14.2843 14.2843 k = 0.5000 0.2887 0.2041 ( 7744 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1833 -16.1833 -16.0244 -16.0244 -16.0121 -16.0121 -16.0065 -16.0065 -15.9953 -15.9953 1.6820 1.6820 2.5426 2.5426 2.5451 2.5451 2.6227 2.6227 2.8514 2.8514 3.1268 3.1268 3.2131 3.2131 3.3253 3.3253 3.3891 3.3891 3.7085 3.7085 3.7944 3.7944 3.8825 3.8825 3.9034 3.9034 4.0186 4.0186 4.0604 4.0604 4.3170 4.3170 4.3589 4.3589 4.4466 4.4466 4.4895 4.4895 4.5060 4.5060 4.6637 4.6637 5.4153 5.4153 8.8003 8.8003 9.7523 9.7523 9.8942 9.8942 10.1058 10.1058 10.2408 10.2408 12.9003 12.9003 14.2983 14.2983 k = 0.5000 0.2887 0.2041 ( 7744 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1833 -16.1833 -16.0244 -16.0244 -16.0121 -16.0121 -16.0065 -16.0065 -15.9953 -15.9953 1.6820 1.6820 2.5426 2.5426 2.5451 2.5451 2.6227 2.6227 2.8514 2.8514 3.1268 3.1268 3.2131 3.2131 3.3253 3.3253 3.3891 3.3891 3.7085 3.7085 3.7944 3.7944 3.8825 3.8825 3.9034 3.9034 4.0186 4.0186 4.0604 4.0604 4.3170 4.3170 4.3589 4.3589 4.4466 4.4466 4.4895 4.4895 4.5060 4.5060 4.6637 4.6637 5.4153 5.4153 8.8003 8.8003 9.7523 9.7523 9.8942 9.8942 10.1058 10.1058 10.2408 10.2408 12.9003 12.9003 14.2983 14.2983 k = 0.5050 0.2742 0.2123 ( 7759 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1834 -16.1834 -16.0244 -16.0244 -16.0121 -16.0121 -16.0066 -16.0066 -15.9954 -15.9954 1.6833 1.6833 2.5431 2.5431 2.5457 2.5457 2.6231 2.6231 2.8521 2.8521 3.1266 3.1266 3.2125 3.2125 3.3245 3.3245 3.3898 3.3898 3.7070 3.7070 3.7920 3.7920 3.8820 3.8820 3.9051 3.9051 4.0188 4.0188 4.0621 4.0621 4.3169 4.3169 4.3559 4.3559 4.4348 4.4348 4.5007 4.5007 4.5081 4.5081 4.6669 4.6669 5.4136 5.4136 8.7840 8.7840 9.7263 9.7263 9.8672 9.8672 10.1408 10.1408 10.2767 10.2767 12.9076 12.9076 14.2898 14.2898 k = 0.5100 0.2598 0.2205 ( 7757 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1834 -16.1834 -16.0244 -16.0244 -16.0121 -16.0121 -16.0066 -16.0066 -15.9954 -15.9954 1.6870 1.6870 2.5443 2.5443 2.5480 2.5480 2.6244 2.6244 2.8539 2.8539 3.1262 3.1262 3.2109 3.2109 3.3222 3.3222 3.3920 3.3920 3.7023 3.7023 3.7854 3.7854 3.8806 3.8806 3.9097 3.9097 4.0191 4.0191 4.0673 4.0673 4.3163 4.3163 4.3463 4.3463 4.4180 4.4180 4.5027 4.5027 4.5277 4.5277 4.6772 4.6772 5.4084 5.4084 8.7362 8.7362 9.6687 9.6687 9.8068 9.8068 10.2221 10.2221 10.3656 10.3656 12.9293 12.9293 14.2594 14.2594 k = 0.5150 0.2454 0.2286 ( 7751 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1945 -16.1945 -16.1835 -16.1835 -16.0244 -16.0244 -16.0121 -16.0121 -16.0066 -16.0066 -15.9954 -15.9954 1.6931 1.6931 2.5455 2.5455 2.5524 2.5524 2.6266 2.6266 2.8570 2.8570 3.1253 3.1253 3.2082 3.2082 3.3186 3.3186 3.3952 3.3952 3.6943 3.6943 3.7763 3.7763 3.8784 3.8784 3.9156 3.9156 4.0194 4.0194 4.0758 4.0758 4.3144 4.3144 4.3313 4.3313 4.4069 4.4069 4.5009 4.5009 4.5473 4.5473 4.6961 4.6961 5.3997 5.3997 8.6605 8.6605 9.6036 9.6036 9.7367 9.7367 10.3221 10.3221 10.4840 10.4840 12.9652 12.9652 14.2052 14.2052 k = 0.5200 0.2309 0.2368 ( 7755 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1945 -16.1945 -16.1835 -16.1835 -16.0244 -16.0244 -16.0120 -16.0120 -16.0066 -16.0066 -15.9954 -15.9954 1.7017 1.7017 2.5470 2.5470 2.5587 2.5587 2.6297 2.6297 2.8613 2.8613 3.1240 3.1240 3.2046 3.2046 3.3140 3.3140 3.3993 3.3993 3.6832 3.6832 3.7663 3.7663 3.8756 3.8756 3.9214 3.9214 4.0196 4.0196 4.0867 4.0867 4.3044 4.3044 4.3209 4.3209 4.4012 4.4012 4.4980 4.4980 4.5611 4.5611 4.7241 4.7241 5.3876 5.3876 8.5619 8.5619 9.5394 9.5394 9.6670 9.6670 10.4299 10.4299 10.6196 10.6196 13.0151 13.0151 14.1313 14.1313 k = 0.5250 0.2165 0.2449 ( 7762 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1944 -16.1944 -16.1836 -16.1836 -16.0244 -16.0244 -16.0120 -16.0120 -16.0067 -16.0067 -15.9955 -15.9955 1.7127 1.7127 2.5488 2.5488 2.5666 2.5666 2.6338 2.6338 2.8668 2.8668 3.1220 3.1220 3.2003 3.2003 3.3086 3.3086 3.4039 3.4039 3.6690 3.6690 3.7562 3.7562 3.8724 3.8724 3.9261 3.9261 4.0201 4.0201 4.0988 4.0988 4.2867 4.2867 4.3186 4.3186 4.3985 4.3985 4.4943 4.4943 4.5695 4.5695 4.7597 4.7597 5.3723 5.3723 8.4461 8.4461 9.4767 9.4767 9.6015 9.6015 10.5420 10.5420 10.7657 10.7657 13.0785 13.0785 14.0415 14.0415 k = 0.5300 0.2021 0.2531 ( 7764 PWs) bands (ev): -44.1354 -44.1354 -44.1334 -44.1334 -16.1943 -16.1943 -16.1837 -16.1837 -16.0244 -16.0244 -16.0119 -16.0119 -16.0068 -16.0068 -15.9955 -15.9955 1.7260 1.7260 2.5509 2.5509 2.5761 2.5761 2.6391 2.6391 2.8735 2.8735 3.1191 3.1191 3.1955 3.1955 3.3025 3.3025 3.4090 3.4090 3.6523 3.6523 3.7464 3.7464 3.8688 3.8688 3.9289 3.9289 4.0210 4.0210 4.1104 4.1104 4.2713 4.2713 4.3177 4.3177 4.3975 4.3975 4.4899 4.4899 4.5742 4.5742 4.8008 4.8008 5.3538 5.3538 8.3182 8.3182 9.4143 9.4143 9.5419 9.5419 10.6577 10.6577 10.9181 10.9181 13.1547 13.1547 13.9397 13.9397 k = 0.5350 0.1876 0.2613 ( 7765 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1942 -16.1942 -16.1839 -16.1839 -16.0244 -16.0244 -16.0118 -16.0118 -16.0069 -16.0069 -15.9955 -15.9955 1.7415 1.7415 2.5533 2.5533 2.5869 2.5869 2.6456 2.6456 2.8813 2.8813 3.1149 3.1149 3.1905 3.1905 3.2960 3.2960 3.4141 3.4141 3.6339 3.6339 3.7369 3.7369 3.8651 3.8651 3.9296 3.9296 4.0227 4.0227 4.1191 4.1191 4.2618 4.2618 4.3171 4.3171 4.3976 4.3976 4.4848 4.4848 4.5769 4.5769 4.8454 4.8454 5.3322 5.3322 8.1821 8.1821 9.3518 9.3518 9.4879 9.4879 10.7766 10.7766 11.0739 11.0739 13.2431 13.2431 13.8292 13.8292 k = 0.5400 0.1732 0.2694 ( 7771 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1941 -16.1941 -16.1840 -16.1840 -16.0244 -16.0244 -16.0117 -16.0117 -16.0070 -16.0070 -15.9955 -15.9955 1.7593 1.7593 2.5560 2.5560 2.5984 2.5984 2.6538 2.6538 2.8900 2.8900 3.1092 3.1092 3.1856 3.1856 3.2891 3.2891 3.4193 3.4193 3.6143 3.6143 3.7278 3.7278 3.8612 3.8612 3.9281 3.9281 4.0252 4.0252 4.1231 4.1231 4.2601 4.2601 4.3165 4.3165 4.3983 4.3983 4.4793 4.4793 4.5785 4.5785 4.8923 4.8923 5.3077 5.3077 8.0411 8.0411 9.2895 9.2895 9.4383 9.4383 10.8986 10.8986 11.2309 11.2309 13.3419 13.3419 13.7142 13.7142 k = 0.5450 0.1588 0.2776 ( 7767 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1940 -16.1940 -16.1841 -16.1841 -16.0243 -16.0243 -16.0116 -16.0116 -16.0071 -16.0071 -15.9955 -15.9955 1.7791 1.7791 2.5590 2.5590 2.6104 2.6104 2.6639 2.6639 2.8997 2.8997 3.1016 3.1016 3.1809 3.1809 3.2820 3.2820 3.4242 3.4242 3.5944 3.5944 3.7188 3.7188 3.8571 3.8571 3.9245 3.9245 4.0283 4.0283 4.1221 4.1221 4.2658 4.2658 4.3160 4.3160 4.3997 4.3997 4.4741 4.4741 4.5799 4.5799 4.9406 4.9406 5.2806 5.2806 7.8976 7.8976 9.2282 9.2282 9.3920 9.3920 11.0236 11.0236 11.3873 11.3873 13.4439 13.4439 13.6039 13.6039 k = 0.5500 0.1443 0.2858 ( 7768 PWs) bands (ev): -44.1353 -44.1353 -44.1335 -44.1335 -16.1938 -16.1938 -16.1843 -16.1843 -16.0243 -16.0243 -16.0115 -16.0115 -16.0072 -16.0072 -15.9955 -15.9955 1.8009 1.8009 2.5623 2.5623 2.6220 2.6220 2.6765 2.6765 2.9102 2.9102 3.0919 3.0919 3.1767 3.1767 3.2748 3.2748 3.4284 3.4284 3.5749 3.5749 3.7100 3.7100 3.8529 3.8529 3.9193 3.9193 4.0314 4.0314 4.1178 4.1178 4.2763 4.2763 4.3156 4.3156 4.4014 4.4014 4.4698 4.4698 4.5815 4.5815 4.9896 4.9896 5.2510 5.2510 7.7532 7.7532 9.1686 9.1686 9.3479 9.3479 11.1515 11.1515 11.5412 11.5412 13.4471 13.4471 13.6021 13.6021 k = 0.5550 0.1299 0.2939 ( 7768 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1937 -16.1937 -16.1845 -16.1845 -16.0243 -16.0243 -16.0114 -16.0114 -16.0073 -16.0073 -15.9955 -15.9955 1.8246 1.8246 2.5658 2.5658 2.6330 2.6330 2.6919 2.6919 2.9213 2.9213 3.0799 3.0799 3.1731 3.1731 3.2676 3.2676 3.4315 3.4315 3.5568 3.5568 3.7015 3.7015 3.8485 3.8485 3.9128 3.9128 4.0341 4.0341 4.1124 4.1124 4.2885 4.2885 4.3155 4.3155 4.4027 4.4027 4.4678 4.4678 4.5839 4.5839 5.0386 5.0386 5.2194 5.2194 7.6096 7.6096 9.1112 9.1112 9.3054 9.3054 11.2823 11.2823 11.6904 11.6904 13.3396 13.3396 13.7226 13.7226 k = 0.5600 0.1155 0.3021 ( 7764 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1935 -16.1935 -16.1847 -16.1847 -16.0243 -16.0243 -16.0113 -16.0113 -16.0074 -16.0074 -15.9955 -15.9955 1.8499 1.8499 2.5697 2.5697 2.6432 2.6432 2.7100 2.7100 2.9328 2.9328 3.0658 3.0658 3.1699 3.1699 3.2607 3.2607 3.4325 3.4325 3.5415 3.5415 3.6932 3.6932 3.8439 3.8439 3.9054 3.9054 4.0356 4.0356 4.1076 4.1076 4.2992 4.2992 4.3165 4.3165 4.4026 4.4026 4.4697 4.4697 4.5876 4.5876 5.0865 5.0865 5.1864 5.1864 7.4680 7.4680 9.0563 9.0563 9.2644 9.2644 11.4158 11.4158 11.8316 11.8316 13.2295 13.2295 13.8588 13.8588 k = 0.5650 0.1010 0.3103 ( 7760 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1933 -16.1933 -16.1849 -16.1849 -16.0242 -16.0242 -16.0112 -16.0112 -16.0075 -16.0075 -15.9955 -15.9955 1.8768 1.8768 2.5739 2.5739 2.6525 2.6525 2.7305 2.7305 2.9442 2.9442 3.0498 3.0498 3.1671 3.1671 3.2540 3.2540 3.4303 3.4303 3.5303 3.5303 3.6854 3.6854 3.8392 3.8392 3.8975 3.8975 4.0352 4.0352 4.1045 4.1045 4.3054 4.3054 4.3197 4.3197 4.4003 4.4003 4.4764 4.4764 4.5935 4.5935 5.1262 5.1262 5.1587 5.1587 7.3297 7.3297 9.0041 9.0041 9.2246 9.2246 11.5518 11.5518 11.9596 11.9596 13.1300 13.1300 13.9103 13.9103 k = 0.5700 0.0866 0.3184 ( 7764 PWs) bands (ev): -44.1351 -44.1351 -44.1336 -44.1336 -16.1932 -16.1932 -16.1851 -16.1851 -16.0242 -16.0242 -16.0111 -16.0111 -16.0076 -16.0076 -15.9956 -15.9956 1.9049 1.9049 2.5784 2.5784 2.6612 2.6612 2.7529 2.7529 2.9546 2.9546 3.0327 3.0327 3.1646 3.1646 3.2476 3.2476 3.4245 3.4245 3.5241 3.5241 3.6781 3.6781 3.8344 3.8344 3.8892 3.8892 4.0327 4.0327 4.1037 4.1037 4.3074 4.3074 4.3241 4.3241 4.3961 4.3961 4.4870 4.4870 4.6027 4.6027 5.1081 5.1081 5.1857 5.1857 7.1960 7.1960 8.9546 8.9546 9.1861 9.1861 11.6901 11.6901 12.0654 12.0654 13.0515 13.0515 13.8722 13.8722 k = 0.5750 0.0722 0.3266 ( 7759 PWs) bands (ev): -44.1351 -44.1351 -44.1336 -44.1336 -16.1930 -16.1930 -16.1853 -16.1853 -16.0242 -16.0242 -16.0110 -16.0110 -16.0076 -16.0076 -15.9956 -15.9956 1.9340 1.9340 2.5834 2.5834 2.6693 2.6693 2.7767 2.7767 2.9619 2.9619 3.0168 3.0168 3.1624 3.1624 3.2416 3.2416 3.4154 3.4154 3.5229 3.5229 3.6716 3.6716 3.8294 3.8294 3.8807 3.8807 4.0282 4.0282 4.1050 4.1050 4.3077 4.3077 4.3271 4.3271 4.3909 4.3909 4.4990 4.4990 4.6162 4.6162 5.0717 5.0717 5.2270 5.2270 7.0682 7.0682 8.9078 8.9078 9.1489 9.1489 11.8303 11.8303 12.1357 12.1357 13.0084 13.0084 13.8340 13.8340 k = 0.5800 0.0577 0.3348 ( 7756 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1927 -16.1927 -16.1856 -16.1856 -16.0241 -16.0241 -16.0110 -16.0110 -16.0076 -16.0076 -15.9956 -15.9956 1.9638 1.9638 2.5890 2.5890 2.6769 2.6769 2.8014 2.8014 2.9603 2.9603 3.0081 3.0081 3.1604 3.1604 3.2360 3.2360 3.4046 3.4046 3.5253 3.5253 3.6662 3.6662 3.8244 3.8244 3.8721 3.8721 4.0221 4.0221 4.1077 4.1077 4.3077 4.3077 4.3279 4.3279 4.3855 4.3855 4.5103 4.5103 4.6351 4.6351 5.0337 5.0337 5.2651 5.2651 6.9482 6.9482 8.8639 8.8639 9.1133 9.1133 11.9705 11.9705 12.1587 12.1587 13.0145 13.0145 13.7971 13.7971 k = 0.5850 0.0433 0.3429 ( 7758 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1925 -16.1925 -16.1858 -16.1858 -16.0241 -16.0241 -16.0110 -16.0110 -16.0076 -16.0076 -15.9956 -15.9956 1.9940 1.9940 2.5953 2.5953 2.6839 2.6839 2.8258 2.8258 2.9464 2.9464 3.0105 3.0105 3.1587 3.1587 3.2308 3.2308 3.3937 3.3937 3.5299 3.5299 3.6620 3.6620 3.8193 3.8193 3.8635 3.8635 4.0150 4.0150 4.1114 4.1114 4.3075 4.3075 4.3266 4.3266 4.3804 4.3804 4.5196 4.5196 4.6594 4.6594 4.9956 4.9956 5.2974 5.2974 6.8380 6.8380 8.8226 8.8226 9.0792 9.0792 12.0837 12.0837 12.1599 12.1599 13.0713 13.0713 13.7617 13.7617 k = 0.5900 0.0289 0.3511 ( 7752 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1923 -16.1923 -16.1860 -16.1860 -16.0240 -16.0240 -16.0111 -16.0111 -16.0075 -16.0075 -15.9957 -15.9957 2.0241 2.0241 2.6023 2.6023 2.6902 2.6902 2.8474 2.8474 2.9282 2.9282 3.0180 3.0180 3.1573 3.1573 3.2258 3.2258 3.3836 3.3836 3.5353 3.5353 3.6596 3.6596 3.8144 3.8144 3.8550 3.8550 4.0074 4.0074 4.1155 4.1155 4.3071 4.3071 4.3237 4.3237 4.3758 4.3758 4.5267 4.5267 4.6882 4.6882 4.9585 4.9585 5.3215 5.3215 6.7401 6.7401 8.7840 8.7840 9.0468 9.0468 12.0442 12.0442 12.2779 12.2779 13.1659 13.1659 13.7284 13.7284 k = 0.5950 0.0144 0.3593 ( 7766 PWs) bands (ev): -44.1349 -44.1349 -44.1338 -44.1338 -16.1921 -16.1921 -16.1863 -16.1863 -16.0240 -16.0240 -16.0112 -16.0112 -16.0074 -16.0074 -15.9957 -15.9957 2.0537 2.0537 2.6102 2.6102 2.6956 2.6956 2.8583 2.8583 2.9174 2.9174 3.0268 3.0268 3.1563 3.1563 3.2212 3.2212 3.3754 3.3754 3.5406 3.5406 3.6594 3.6594 3.8097 3.8097 3.8469 3.8469 3.9997 3.9997 4.1195 4.1195 4.3062 4.3062 4.3204 4.3204 4.3716 4.3716 4.5319 4.5319 4.7197 4.7197 4.9236 4.9236 5.3349 5.3349 6.6572 6.6572 8.7480 8.7480 9.0163 9.0163 11.9552 11.9552 12.4235 12.4235 13.2833 13.2833 13.6974 13.6974 k = 0.6000-0.0000 0.3674 ( 7762 PWs) bands (ev): -44.1349 -44.1349 -44.1339 -44.1339 -16.1919 -16.1919 -16.1865 -16.1865 -16.0239 -16.0239 -16.0114 -16.0114 -16.0073 -16.0073 -15.9958 -15.9958 2.0822 2.0822 2.6192 2.6192 2.6998 2.6998 2.8480 2.8480 2.9255 2.9255 3.0353 3.0353 3.1560 3.1560 3.2170 3.2170 3.3694 3.3694 3.5446 3.5446 3.6618 3.6618 3.8053 3.8053 3.8396 3.8396 3.9921 3.9921 4.1233 4.1233 4.3034 4.3034 4.3181 4.3181 4.3676 4.3676 4.5358 4.5358 4.7510 4.7510 4.8936 4.8936 5.3352 5.3352 6.5923 6.5923 8.7145 8.7145 8.9877 8.9877 11.8512 11.8512 12.5722 12.5722 13.4129 13.4129 13.6695 13.6695 k = 0.6050-0.0144 0.3756 ( 7766 PWs) bands (ev): -44.1348 -44.1348 -44.1339 -44.1339 -16.1917 -16.1917 -16.1868 -16.1868 -16.0239 -16.0239 -16.0116 -16.0116 -16.0071 -16.0071 -15.9958 -15.9958 2.1089 2.1089 2.6291 2.6291 2.7019 2.7019 2.8271 2.8271 2.9425 2.9425 3.0431 3.0431 3.1563 3.1563 3.2138 3.2138 3.3660 3.3660 3.5468 3.5468 3.6670 3.6670 3.8011 3.8011 3.8338 3.8338 3.9849 3.9849 4.1263 4.1263 4.2981 4.2981 4.3181 4.3181 4.3635 4.3635 4.5384 4.5384 4.7747 4.7747 4.8756 4.8756 5.3207 5.3207 6.5476 6.5476 8.6836 8.6836 8.9612 8.9612 11.7395 11.7395 12.7213 12.7213 13.5462 13.5462 13.6474 13.6474 k = 0.6100-0.0289 0.3838 ( 7774 PWs) bands (ev): -44.1348 -44.1348 -44.1339 -44.1339 -16.1915 -16.1915 -16.1870 -16.1870 -16.0238 -16.0238 -16.0118 -16.0118 -16.0069 -16.0069 -15.9959 -15.9959 2.1334 2.1334 2.6398 2.6398 2.7007 2.7007 2.8060 2.8060 2.9590 2.9590 3.0500 3.0500 3.1574 3.1574 3.2120 3.2120 3.3653 3.3653 3.5467 3.5467 3.6747 3.6747 3.7964 3.7964 3.8310 3.8310 3.9785 3.9785 4.1283 4.1283 4.2911 4.2911 4.3196 4.3196 4.3593 4.3593 4.5399 4.5399 4.7779 4.7779 4.8824 4.8824 5.2914 5.2914 6.5240 6.5240 8.6550 8.6550 8.9368 8.9368 11.6239 11.6239 12.8688 12.8688 13.6182 13.6182 13.6929 13.6929 k = 0.6150-0.0433 0.3919 ( 7778 PWs) bands (ev): -44.1347 -44.1347 -44.1340 -44.1340 -16.1913 -16.1913 -16.1873 -16.1873 -16.0238 -16.0238 -16.0121 -16.0121 -16.0066 -16.0066 -15.9960 -15.9960 2.1548 2.1548 2.6505 2.6505 2.6940 2.6940 2.7904 2.7904 2.9715 2.9715 3.0561 3.0561 3.1589 3.1589 3.2123 3.2123 3.3677 3.3677 3.5446 3.5446 3.6836 3.6836 3.7908 3.7908 3.8329 3.8329 3.9731 3.9731 4.1286 4.1286 4.2831 4.2831 4.3222 4.3222 4.3551 4.3551 4.5403 4.5403 4.7639 4.7639 4.9096 4.9096 5.2497 5.2497 6.5207 6.5207 8.6287 8.6287 8.9147 8.9147 11.5064 11.5064 13.0108 13.0108 13.6117 13.6117 13.8212 13.8212 k = 0.6200-0.0577 0.4001 ( 7786 PWs) bands (ev): -44.1347 -44.1347 -44.1340 -44.1340 -16.1911 -16.1911 -16.1875 -16.1875 -16.0237 -16.0237 -16.0124 -16.0124 -16.0064 -16.0064 -15.9960 -15.9960 2.1726 2.1726 2.6577 2.6577 2.6827 2.6827 2.7840 2.7840 2.9787 2.9787 3.0610 3.0610 3.1607 3.1607 3.2149 3.2149 3.3735 3.3735 3.5411 3.5411 3.6922 3.6922 3.7848 3.7848 3.8403 3.8403 3.9689 3.9689 4.1267 4.1267 4.2750 4.2750 4.3254 4.3254 4.3509 4.3509 4.5395 4.5395 4.7461 4.7461 4.9405 4.9405 5.2020 5.2020 6.5356 6.5356 8.6047 8.6047 8.8949 8.8949 11.3882 11.3882 13.1399 13.1399 13.6183 13.6183 13.9408 13.9408 k = 0.6250-0.0722 0.4082 ( 7786 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1910 -16.1910 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1861 2.1861 2.6479 2.6479 2.6808 2.6808 2.7871 2.7871 2.9805 2.9805 3.0643 3.0643 3.1626 3.1626 3.2189 3.2189 3.3826 3.3826 3.5371 3.5371 3.6985 3.6985 3.7797 3.7797 3.8534 3.8534 3.9662 3.9662 4.1217 4.1217 4.2674 4.2674 4.3289 4.3289 4.3471 4.3471 4.5374 4.5374 4.7300 4.7300 4.9593 4.9593 5.1622 5.1622 6.5658 6.5658 8.5828 8.5828 8.8774 8.8774 11.2702 11.2702 13.2417 13.2417 13.6547 13.6547 14.0381 14.0381 k = 0.6250-0.0722 0.4082 ( 7786 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1910 -16.1910 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1861 2.1861 2.6479 2.6479 2.6808 2.6808 2.7871 2.7871 2.9805 2.9805 3.0643 3.0643 3.1626 3.1626 3.2189 3.2189 3.3826 3.3826 3.5371 3.5371 3.6985 3.6985 3.7797 3.7797 3.8534 3.8534 3.9662 3.9662 4.1217 4.1217 4.2674 4.2674 4.3289 4.3289 4.3471 4.3471 4.5374 4.5374 4.7300 4.7300 4.9593 4.9593 5.1622 5.1622 6.5658 6.5658 8.5828 8.5828 8.8774 8.8774 11.2702 11.2702 13.2417 13.2417 13.6547 13.6547 14.0381 14.0381 k = 0.6167-0.0674 0.4219 ( 7780 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1910 -16.1910 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1875 2.1875 2.6472 2.6472 2.6810 2.6810 2.7865 2.7865 2.9808 2.9808 3.0637 3.0637 3.1622 3.1622 3.2186 3.2186 3.3840 3.3840 3.5374 3.5374 3.6986 3.6986 3.7795 3.7795 3.8545 3.8545 3.9655 3.9655 4.1212 4.1212 4.2669 4.2669 4.3289 4.3289 4.3473 4.3473 4.5367 4.5367 4.7276 4.7276 4.9609 4.9609 5.1650 5.1650 6.5674 6.5674 8.5106 8.5106 8.9527 8.9527 11.2706 11.2706 13.2253 13.2253 13.6042 13.6042 14.0901 14.0901 k = 0.6083-0.0625 0.4355 ( 7778 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1909 -16.1909 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1917 2.1917 2.6452 2.6452 2.6815 2.6815 2.7846 2.7846 2.9817 2.9817 3.0619 3.0619 3.1608 3.1608 3.2179 3.2179 3.3881 3.3881 3.5382 3.5382 3.6992 3.6992 3.7788 3.7788 3.8575 3.8575 3.9633 3.9633 4.1198 4.1198 4.2651 4.2651 4.3289 4.3289 4.3479 4.3479 4.5348 4.5348 4.7206 4.7206 4.9656 4.9656 5.1732 5.1732 6.5721 6.5721 8.3756 8.3756 9.0970 9.0970 11.2719 11.2719 13.1789 13.1789 13.4949 13.4949 14.2039 14.2039 k = 0.6000-0.0577 0.4491 ( 7784 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1909 -16.1909 -16.1877 -16.1877 -16.0236 -16.0236 -16.0125 -16.0125 -16.0062 -16.0062 -15.9961 -15.9961 2.1986 2.1986 2.6417 2.6417 2.6823 2.6823 2.7816 2.7816 2.9832 2.9832 3.0592 3.0592 3.1585 3.1585 3.2167 3.2167 3.3946 3.3946 3.5397 3.5397 3.7000 3.7000 3.7780 3.7780 3.8620 3.8620 3.9599 3.9599 4.1175 4.1175 4.2622 4.2622 4.3290 4.3290 4.3488 4.3488 4.5317 4.5317 4.7096 4.7096 4.9736 4.9736 5.1858 5.1858 6.5800 6.5800 8.2295 8.2295 9.2587 9.2587 11.2738 11.2738 13.1093 13.1093 13.3671 13.3671 14.3391 14.3391 k = 0.5917-0.0529 0.4627 ( 7779 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1909 -16.1909 -16.1877 -16.1877 -16.0237 -16.0237 -16.0124 -16.0124 -16.0063 -16.0063 -15.9960 -15.9960 2.2082 2.2082 2.6367 2.6367 2.6834 2.6834 2.7775 2.7775 2.9852 2.9852 3.0561 3.0561 3.1552 3.1552 3.2152 3.2152 3.4032 3.4032 3.5416 3.5416 3.7011 3.7011 3.7776 3.7776 3.8673 3.8673 3.9553 3.9553 4.1145 4.1145 4.2583 4.2583 4.3293 4.3293 4.3498 4.3498 4.5276 4.5276 4.6955 4.6955 4.9846 4.9846 5.2018 5.2018 6.5911 6.5911 8.0829 8.0829 9.4272 9.4272 11.2763 11.2763 13.0240 13.0240 13.2340 13.2340 14.4826 14.4826 k = 0.5833-0.0481 0.4763 ( 7772 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1908 -16.1908 -16.1878 -16.1878 -16.0237 -16.0237 -16.0122 -16.0122 -16.0064 -16.0064 -15.9960 -15.9960 2.2204 2.2204 2.6301 2.6301 2.6847 2.6847 2.7724 2.7724 2.9878 2.9878 3.0531 3.0531 3.1509 3.1509 3.2133 3.2133 3.4133 3.4133 3.5438 3.5438 3.7025 3.7025 3.7777 3.7777 3.8726 3.8726 3.9500 3.9500 4.1110 4.1110 4.2535 4.2535 4.3299 4.3299 4.3510 4.3510 4.5228 4.5228 4.6791 4.6791 4.9985 4.9985 5.2200 5.2200 6.6053 6.6053 7.9390 7.9390 9.5995 9.5995 11.2789 11.2789 12.9291 12.9291 13.1001 13.1001 14.6297 14.6297 k = 0.5750-0.0433 0.4899 ( 7778 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1907 -16.1907 -16.1879 -16.1879 -16.0237 -16.0237 -16.0121 -16.0121 -16.0066 -16.0066 -15.9960 -15.9960 2.2352 2.2352 2.6219 2.6219 2.6862 2.6862 2.7665 2.7665 2.9906 2.9906 3.0507 3.0507 3.1458 3.1458 3.2109 3.2109 3.4247 3.4247 3.5463 3.5463 3.7042 3.7042 3.7786 3.7786 3.8768 3.8768 3.9445 3.9445 4.1075 4.1075 4.2480 4.2480 4.3307 4.3307 4.3522 4.3522 4.5176 4.5176 4.6614 4.6614 5.0149 5.0149 5.2391 5.2391 6.6226 6.6226 7.7993 7.7993 9.7742 9.7742 11.2814 11.2814 12.8293 12.8293 12.9675 12.9675 14.7785 14.7785 k = 0.5667-0.0385 0.5035 ( 7778 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1907 -16.1907 -16.1879 -16.1879 -16.0238 -16.0238 -16.0119 -16.0119 -16.0068 -16.0068 -15.9960 -15.9960 2.2523 2.2523 2.6120 2.6120 2.6876 2.6876 2.7599 2.7599 2.9937 2.9937 3.0493 3.0493 3.1398 3.1398 3.2082 3.2082 3.4368 3.4368 3.5487 3.5487 3.7062 3.7062 3.7802 3.7802 3.8790 3.8790 3.9397 3.9397 4.1043 4.1043 4.2419 4.2419 4.3316 4.3316 4.3534 4.3534 4.5122 4.5122 4.6432 4.6432 5.0337 5.0337 5.2579 5.2579 6.6429 6.6429 7.6650 7.6650 9.9503 9.9503 11.2831 11.2831 12.7277 12.7277 12.8375 12.8375 14.9275 14.9275 k = 0.5583-0.0337 0.5171 ( 7771 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1905 -16.1905 -16.1880 -16.1880 -16.0238 -16.0238 -16.0116 -16.0116 -16.0070 -16.0070 -15.9959 -15.9959 2.2717 2.2717 2.6003 2.6003 2.6891 2.6891 2.7528 2.7528 2.9968 2.9968 3.0496 3.0496 3.1333 3.1333 3.2049 3.2049 3.4493 3.4493 3.5507 3.5507 3.7090 3.7090 3.7823 3.7823 3.8784 3.8784 3.9361 3.9361 4.1020 4.1020 4.2353 4.2353 4.3325 4.3325 4.3544 4.3544 4.5073 4.5073 4.6251 4.6251 5.0543 5.0543 5.2754 5.2754 6.6663 6.6663 7.5370 7.5370 10.1269 10.1269 11.2833 11.2833 12.6270 12.6270 12.7115 12.7115 15.0758 15.0758 k = 0.5500-0.0289 0.5307 ( 7781 PWs) bands (ev): -44.1346 -44.1346 -44.1342 -44.1342 -16.1905 -16.1905 -16.1882 -16.1882 -16.0238 -16.0238 -16.0114 -16.0114 -16.0072 -16.0072 -15.9959 -15.9959 2.2930 2.2930 2.5870 2.5870 2.6903 2.6903 2.7456 2.7456 2.9998 2.9998 3.0517 3.0517 3.1263 3.1263 3.2012 3.2012 3.4619 3.4619 3.5520 3.5520 3.7125 3.7125 3.7842 3.7842 3.8752 3.8752 3.9337 3.9337 4.1011 4.1011 4.2283 4.2283 4.3332 4.3332 4.3553 4.3553 4.5031 4.5031 4.6078 4.6078 5.0767 5.0767 5.2902 5.2902 6.6926 6.6926 7.4164 7.4164 10.3028 10.3028 11.2810 11.2810 12.5287 12.5287 12.5912 12.5912 15.2222 15.2222 k = 0.5417-0.0241 0.5443 ( 7773 PWs) bands (ev): -44.1345 -44.1345 -44.1342 -44.1342 -16.1903 -16.1903 -16.1883 -16.1883 -16.0239 -16.0239 -16.0112 -16.0112 -16.0075 -16.0075 -15.9959 -15.9959 2.3159 2.3159 2.5722 2.5722 2.6912 2.6912 2.7385 2.7385 3.0025 3.0025 3.0556 3.0556 3.1191 3.1191 3.1970 3.1970 3.4743 3.4743 3.5523 3.5523 3.7169 3.7169 3.7855 3.7855 3.8708 3.8708 3.9315 3.9315 4.1019 4.1019 4.2209 4.2209 4.3338 4.3338 4.3558 4.3558 4.5002 4.5002 4.5915 4.5915 5.1004 5.1004 5.3014 5.3014 6.7218 6.7218 7.3044 7.3044 10.4763 10.4763 11.2750 11.2750 12.4333 12.4333 12.4800 12.4800 15.3657 15.3657 k = 0.5333-0.0192 0.5579 ( 7778 PWs) bands (ev): -44.1345 -44.1345 -44.1342 -44.1342 -16.1902 -16.1902 -16.1884 -16.1884 -16.0239 -16.0239 -16.0109 -16.0109 -16.0077 -16.0077 -15.9958 -15.9958 2.3399 2.3399 2.5561 2.5561 2.6916 2.6916 2.7318 2.7318 3.0051 3.0051 3.0610 3.0610 3.1118 3.1118 3.1926 3.1926 3.4863 3.4863 3.5512 3.5512 3.7222 3.7222 3.7852 3.7852 3.8668 3.8668 3.9288 3.9288 4.1045 4.1045 4.2131 4.2131 4.3344 4.3344 4.3558 4.3558 4.4988 4.4988 4.5767 4.5767 5.1252 5.1252 5.3076 5.3076 6.7537 6.7537 7.2023 7.2023 10.6450 10.6450 11.2639 11.2639 12.3401 12.3401 12.3831 12.3831 15.5048 15.5048 k = 0.5250-0.0144 0.5715 ( 7784 PWs) bands (ev): -44.1345 -44.1345 -44.1343 -44.1343 -16.1901 -16.1901 -16.1885 -16.1885 -16.0239 -16.0239 -16.0107 -16.0107 -16.0080 -16.0080 -15.9958 -15.9958 2.3640 2.3640 2.5393 2.5393 2.6914 2.6914 2.7260 2.7260 3.0076 3.0076 3.0675 3.0675 3.1047 3.1047 3.1882 3.1882 3.4977 3.4977 3.5484 3.5484 3.7281 3.7281 3.7831 3.7831 3.8649 3.8649 3.9252 3.9252 4.1086 4.1086 4.2054 4.2054 4.3349 4.3349 4.3553 4.3553 4.4992 4.4992 4.5637 4.5637 5.1508 5.1508 5.3080 5.3080 6.7882 6.7882 7.1114 7.1114 10.8046 10.8046 11.2461 11.2461 12.2524 12.2524 12.3035 12.3035 15.6378 15.6378 k = 0.5167-0.0096 0.5852 ( 7790 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1900 -16.1900 -16.1887 -16.1887 -16.0240 -16.0240 -16.0105 -16.0105 -16.0082 -16.0082 -15.9958 -15.9958 2.3867 2.3867 2.5231 2.5231 2.6905 2.6905 2.7216 2.7216 3.0098 3.0098 3.0743 3.0743 3.0980 3.0980 3.1843 3.1843 3.5085 3.5085 3.5438 3.5438 3.7339 3.7339 3.7795 3.7795 3.8652 3.8652 3.9209 3.9209 4.1133 4.1133 4.1982 4.1982 4.3354 4.3354 4.3544 4.3544 4.5011 4.5011 4.5530 4.5530 5.1764 5.1764 5.3020 5.3020 6.8250 6.8250 7.0334 7.0334 10.9480 10.9480 11.2201 11.2201 12.1800 12.1800 12.2401 12.2401 15.7622 15.7622 k = 0.5083-0.0048 0.5988 ( 7794 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1899 -16.1899 -16.1888 -16.1888 -16.0240 -16.0240 -16.0103 -16.0103 -16.0084 -16.0084 -15.9958 -15.9958 2.4045 2.4045 2.5099 2.5099 2.6894 2.6894 2.7188 2.7188 3.0115 3.0115 3.0806 3.0806 3.0922 3.0922 3.1814 3.1814 3.5185 3.5185 3.5374 3.5374 3.7385 3.7385 3.7759 3.7759 3.8670 3.8670 3.9169 3.9169 4.1173 4.1173 4.1928 4.1928 4.3359 4.3359 4.3536 4.3536 4.5037 4.5037 4.5453 4.5453 5.1997 5.1997 5.2908 5.2908 6.8622 6.8622 6.9709 6.9709 11.0643 11.0643 11.1847 11.1847 12.1351 12.1351 12.1930 12.1930 15.8719 15.8719 k = 0.5000-0.0000 0.6124 ( 7788 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0240 -16.0240 -16.0102 -16.0102 -16.0085 -16.0085 -15.9958 -15.9958 2.4117 2.4117 2.5045 2.5045 2.6888 2.6888 2.7178 2.7178 3.0122 3.0122 3.0841 3.0841 3.0889 3.0889 3.1803 3.1803 3.5261 3.5261 3.5310 3.5310 3.7403 3.7403 3.7744 3.7744 3.8681 3.8681 3.9151 3.9151 4.1189 4.1189 4.1907 4.1907 4.3362 4.3362 4.3531 4.3531 4.5050 4.5050 4.5423 4.5423 5.2118 5.2118 5.2827 5.2827 6.8861 6.8861 6.9385 6.9385 11.1356 11.1356 11.1431 11.1431 12.1244 12.1244 12.1704 12.1704 15.9336 15.9336 k = 0.5000-0.0000 0.6124 ( 7788 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1899 -16.1899 -16.1888 -16.1888 -16.0240 -16.0240 -16.0102 -16.0102 -16.0085 -16.0085 -15.9958 -15.9958 2.4117 2.4117 2.5045 2.5045 2.6888 2.6888 2.7178 2.7178 3.0122 3.0122 3.0841 3.0841 3.0889 3.0889 3.1803 3.1803 3.5261 3.5261 3.5310 3.5310 3.7403 3.7403 3.7744 3.7744 3.8681 3.8681 3.9151 3.9151 4.1189 4.1189 4.1907 4.1907 4.3362 4.3362 4.3531 4.3531 4.5050 4.5050 4.5423 4.5423 5.2118 5.2118 5.2827 5.2827 6.8861 6.8861 6.9385 6.9385 11.1356 11.1356 11.1431 11.1431 12.1244 12.1244 12.1704 12.1704 15.9336 15.9336 k = 0.5000 0.0100 0.5983 ( 7792 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1900 -16.1900 -16.1887 -16.1887 -16.0240 -16.0240 -16.0102 -16.0102 -16.0085 -16.0085 -15.9958 -15.9958 2.3980 2.3980 2.5165 2.5165 2.6894 2.6894 2.7180 2.7180 3.0114 3.0114 3.0783 3.0783 3.0933 3.0933 3.1818 3.1818 3.5137 3.5137 3.5418 3.5418 3.7365 3.7365 3.7772 3.7772 3.8650 3.8650 3.9189 3.9189 4.1157 4.1157 4.1950 4.1950 4.3355 4.3355 4.3540 4.3540 4.5022 4.5022 4.5487 4.5487 5.1887 5.1887 5.3039 5.3039 6.8457 6.8457 6.9861 6.9861 11.0633 11.0633 11.2094 11.2094 12.1057 12.1057 12.1985 12.1985 15.8245 15.8245 k = 0.5000 0.0199 0.5842 ( 7792 PWs) bands (ev): -44.1345 -44.1345 -44.1343 -44.1343 -16.1902 -16.1902 -16.1885 -16.1885 -16.0240 -16.0240 -16.0102 -16.0102 -16.0085 -16.0085 -15.9958 -15.9958 2.3683 2.3683 2.5407 2.5407 2.6917 2.6917 2.7190 2.7190 3.0087 3.0087 3.0693 3.0693 3.0985 3.0985 3.1858 3.1858 3.4978 3.4978 3.5531 3.5531 3.7273 3.7273 3.7827 3.7827 3.8593 3.8593 3.9274 3.9274 4.1082 4.1082 4.2057 4.2057 4.3337 4.3337 4.3563 4.3563 4.4970 4.4970 4.5648 4.5648 5.1467 5.1467 5.3397 5.3397 6.7951 6.7951 7.0585 7.0585 10.9837 10.9837 11.2701 11.2701 12.0855 12.0855 12.2478 12.2478 15.6452 15.6452 k = 0.5000 0.0299 0.5701 ( 7780 PWs) bands (ev): -44.1345 -44.1345 -44.1342 -44.1342 -16.1904 -16.1904 -16.1882 -16.1882 -16.0240 -16.0240 -16.0102 -16.0102 -16.0085 -16.0085 -15.9958 -15.9958 2.3332 2.3332 2.5654 2.5654 2.6958 2.6958 2.7217 2.7217 3.0035 3.0035 3.0599 3.0599 3.1033 3.1033 3.1915 3.1915 3.4809 3.4809 3.5629 3.5629 3.7153 3.7153 3.7870 3.7870 3.8566 3.8566 3.9371 3.9371 4.0994 4.0994 4.2190 4.2190 4.3313 4.3313 4.3597 4.3597 4.4923 4.4923 4.5872 4.5872 5.1009 5.1009 5.3745 5.3745 6.7529 6.7529 7.1378 7.1378 10.9021 10.9021 11.3179 11.3179 12.0797 12.0797 12.3042 12.3042 15.4435 15.4435 k = 0.5000 0.0398 0.5561 ( 7780 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1906 -16.1906 -16.1880 -16.1880 -16.0240 -16.0240 -16.0102 -16.0102 -16.0085 -16.0085 -15.9957 -15.9957 2.2960 2.2960 2.5854 2.5854 2.7006 2.7006 2.7286 2.7286 2.9952 2.9952 3.0512 3.0512 3.1081 3.1081 3.1978 3.1978 3.4633 3.4633 3.5712 3.5712 3.7016 3.7016 3.7885 3.7885 3.8595 3.8595 3.9463 3.9463 4.0911 4.0911 4.2323 4.2323 4.3286 4.3286 4.3639 4.3639 4.4889 4.4889 4.6150 4.6150 5.0543 5.0543 5.4043 5.4043 6.7219 6.7219 7.2222 7.2222 10.8196 10.8196 11.3496 11.3496 12.0929 12.0929 12.3650 12.3650 15.2308 15.2308 k = 0.5000 0.0498 0.5420 ( 7762 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1908 -16.1908 -16.1877 -16.1877 -16.0240 -16.0240 -16.0101 -16.0101 -16.0084 -16.0084 -15.9957 -15.9957 2.2581 2.2581 2.5984 2.5984 2.7034 2.7034 2.7436 2.7436 2.9833 2.9833 3.0442 3.0442 3.1131 3.1131 3.2041 3.2041 3.4460 3.4460 3.5779 3.5779 3.6871 3.6871 3.7882 3.7882 3.8674 3.8674 3.9546 3.9546 4.0839 4.0839 4.2444 4.2444 4.3257 4.3257 4.3687 4.3687 4.4867 4.4867 4.6472 4.6472 5.0081 5.0081 5.4269 5.4269 6.7041 6.7041 7.3109 7.3109 10.7373 10.7373 11.3637 11.3637 12.1266 12.1266 12.4287 12.4287 15.0137 15.0137 k = 0.5000 0.0597 0.5279 ( 7770 PWs) bands (ev): -44.1347 -44.1347 -44.1340 -44.1340 -16.1911 -16.1911 -16.1874 -16.1874 -16.0240 -16.0240 -16.0101 -16.0101 -16.0084 -16.0084 -15.9957 -15.9957 2.2199 2.2199 2.6051 2.6051 2.7035 2.7035 2.7658 2.7658 2.9683 2.9683 3.0388 3.0388 3.1181 3.1181 3.2097 3.2097 3.4298 3.4298 3.5826 3.5826 3.6729 3.6729 3.7879 3.7879 3.8782 3.8782 3.9620 3.9620 4.0781 4.0781 4.2546 4.2546 4.3229 4.3229 4.3739 4.3739 4.4856 4.4856 4.6829 4.6829 4.9632 4.9632 5.4407 5.4407 6.7011 6.7011 7.4035 7.4035 10.6555 10.6555 11.3614 11.3614 12.1795 12.1795 12.4941 12.4941 14.7961 14.7961 k = 0.5000 0.0697 0.5138 ( 7758 PWs) bands (ev): -44.1347 -44.1347 -44.1340 -44.1340 -16.1914 -16.1914 -16.1871 -16.1871 -16.0240 -16.0240 -16.0101 -16.0101 -16.0084 -16.0084 -15.9957 -15.9957 2.1820 2.1820 2.6073 2.6073 2.7017 2.7017 2.7916 2.7916 2.9517 2.9517 3.0342 3.0342 3.1232 3.1232 3.2146 3.2146 3.4157 3.4157 3.5847 3.5847 3.6609 3.6609 3.7885 3.7885 3.8903 3.8903 3.9684 3.9684 4.0736 4.0736 4.2631 4.2631 4.3202 4.3202 4.3794 4.3794 4.4853 4.4853 4.7203 4.7203 4.9208 4.9208 5.4448 5.4448 6.7139 6.7139 7.4994 7.4994 10.5750 10.5750 11.3459 11.3459 12.2482 12.2482 12.5596 12.5596 14.5808 14.5808 k = 0.5000 0.0796 0.4998 ( 7752 PWs) bands (ev): -44.1348 -44.1348 -44.1339 -44.1339 -16.1916 -16.1916 -16.1868 -16.1868 -16.0240 -16.0240 -16.0102 -16.0102 -16.0084 -16.0084 -15.9956 -15.9956 2.1444 2.1444 2.6066 2.6066 2.6988 2.6988 2.8170 2.8170 2.9354 2.9354 3.0296 3.0296 3.1283 3.1283 3.2186 3.2186 3.4045 3.4045 3.5832 3.5832 3.6526 3.6526 3.7903 3.7903 3.9023 3.9023 3.9741 3.9741 4.0705 4.0705 4.2699 4.2699 4.3178 4.3178 4.3850 4.3850 4.4854 4.4854 4.7553 4.7553 4.8847 4.8847 5.4389 5.4389 6.7429 6.7429 7.5984 7.5984 10.4959 10.4959 11.3207 11.3207 12.3290 12.3290 12.6233 12.6233 14.3707 14.3707 k = 0.5000 0.0896 0.4857 ( 7758 PWs) bands (ev): -44.1349 -44.1349 -44.1339 -44.1339 -16.1918 -16.1918 -16.1866 -16.1866 -16.0241 -16.0241 -16.0102 -16.0102 -16.0083 -16.0083 -15.9956 -15.9956 2.1074 2.1074 2.6042 2.6042 2.6949 2.6949 2.8367 2.8367 2.9238 2.9238 3.0244 3.0244 3.1332 3.1332 3.2219 3.2219 3.3970 3.3970 3.5777 3.5777 3.6491 3.6491 3.7933 3.7933 3.9137 3.9137 3.9792 3.9792 4.0688 4.0688 4.2755 4.2755 4.3157 4.3157 4.3906 4.3906 4.4857 4.4857 4.7740 4.7740 4.8678 4.8678 5.4235 5.4235 6.7874 6.7874 7.7002 7.7002 10.4187 10.4187 11.2887 11.2887 12.4186 12.4186 12.6819 12.6819 14.1695 14.1695 k = 0.5000 0.0995 0.4716 ( 7764 PWs) bands (ev): -44.1349 -44.1349 -44.1338 -44.1338 -16.1921 -16.1921 -16.1863 -16.1863 -16.0241 -16.0241 -16.0103 -16.0103 -16.0083 -16.0083 -15.9956 -15.9956 2.0712 2.0712 2.6008 2.6008 2.6901 2.6901 2.8420 2.8420 2.9250 2.9250 3.0181 3.0181 3.1380 3.1380 3.2250 3.2250 3.3934 3.3934 3.5694 3.5694 3.6496 3.6496 3.7973 3.7973 3.9238 3.9238 3.9837 3.9837 4.0686 4.0686 4.2800 4.2800 4.3139 4.3139 4.3964 4.3964 4.4859 4.4859 4.7597 4.7597 4.8866 4.8866 5.3997 5.3997 6.8465 6.8465 7.8046 7.8046 10.3437 10.3437 11.2520 11.2520 12.5142 12.5142 12.7307 12.7307 13.9829 13.9829 k = 0.5000 0.1095 0.4575 ( 7762 PWs) bands (ev): -44.1350 -44.1350 -44.1338 -44.1338 -16.1923 -16.1923 -16.1861 -16.1861 -16.0241 -16.0241 -16.0104 -16.0104 -16.0082 -16.0082 -15.9956 -15.9956 2.0358 2.0358 2.5968 2.5968 2.6847 2.6847 2.8314 2.8314 2.9398 2.9398 3.0109 3.0109 3.1427 3.1427 3.2282 3.2282 3.3936 3.3936 3.5600 3.5600 3.6529 3.6529 3.8020 3.8020 3.9324 3.9324 3.9879 3.9879 4.0697 4.0697 4.2836 4.2836 4.3125 4.3125 4.4022 4.4022 4.4855 4.4855 4.7296 4.7296 4.9237 4.9237 5.3690 5.3690 6.9186 6.9186 7.9114 7.9114 10.2711 10.2711 11.2121 11.2121 12.6120 12.6120 12.7624 12.7624 13.8200 13.8200 k = 0.5000 0.1195 0.4434 ( 7764 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1926 -16.1926 -16.1858 -16.1858 -16.0242 -16.0242 -16.0105 -16.0105 -16.0081 -16.0081 -15.9956 -15.9956 2.0015 2.0015 2.5925 2.5925 2.6786 2.6786 2.8129 2.8129 2.9587 2.9587 3.0041 3.0041 3.1473 3.1473 3.2319 3.2319 3.3973 3.3973 3.5510 3.5510 3.6577 3.6577 3.8072 3.8072 3.9392 3.9392 3.9918 3.9918 4.0723 4.0723 4.2864 4.2864 4.3115 4.3115 4.4080 4.4080 4.4841 4.4841 4.6975 4.6975 4.9650 4.9650 5.3329 5.3329 7.0023 7.0023 8.0203 8.0203 10.2011 10.2011 11.1696 11.1696 12.6944 12.6944 12.7795 12.7795 13.6948 13.6948 k = 0.5000 0.1294 0.4294 ( 7760 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1928 -16.1928 -16.1855 -16.1855 -16.0242 -16.0242 -16.0106 -16.0106 -16.0080 -16.0080 -15.9955 -15.9955 1.9683 1.9683 2.5880 2.5880 2.6719 2.6719 2.7916 2.7916 2.9706 2.9706 3.0040 3.0040 3.1518 3.1518 3.2363 3.2363 3.4036 3.4036 3.5433 3.5433 3.6636 3.6636 3.8129 3.8129 3.9443 3.9443 3.9954 3.9954 4.0763 4.0763 4.2881 4.2881 4.3109 4.3109 4.4138 4.4138 4.4813 4.4813 4.6674 4.6674 5.0064 5.0064 5.2931 5.2931 7.0961 7.0961 8.1312 8.1312 10.1341 10.1341 11.1252 11.1252 12.6780 12.6780 12.8505 12.8505 13.6211 13.6211 k = 0.5000 0.1394 0.4153 ( 7758 PWs) bands (ev): -44.1351 -44.1351 -44.1336 -44.1336 -16.1930 -16.1930 -16.1853 -16.1853 -16.0242 -16.0242 -16.0108 -16.0108 -16.0078 -16.0078 -15.9955 -15.9955 1.9364 1.9364 2.5835 2.5835 2.6647 2.6647 2.7697 2.7697 2.9673 2.9673 3.0172 3.0172 3.1561 3.1561 3.2414 3.2414 3.4114 3.4114 3.5381 3.5381 3.6702 3.6702 3.8187 3.8187 3.9477 3.9477 3.9987 3.9987 4.0814 4.0814 4.2884 4.2884 4.3109 4.3109 4.4194 4.4194 4.4768 4.4768 4.6414 4.6414 5.0458 5.0458 5.2515 5.2515 7.1985 7.1985 8.2438 8.2438 10.0703 10.0703 11.0791 11.0791 12.5795 12.5795 12.9551 12.9551 13.6016 13.6016 k = 0.5000 0.1493 0.4012 ( 7756 PWs) bands (ev): -44.1351 -44.1351 -44.1336 -44.1336 -16.1932 -16.1932 -16.1851 -16.1851 -16.0242 -16.0242 -16.0109 -16.0109 -16.0077 -16.0077 -15.9955 -15.9955 1.9059 1.9059 2.5790 2.5790 2.6571 2.6571 2.7480 2.7480 2.9573 2.9573 3.0349 3.0349 3.1602 3.1602 3.2472 3.2472 3.4192 3.4192 3.5364 3.5364 3.6774 3.6774 3.8247 3.8247 3.9498 3.9498 4.0017 4.0017 4.0877 4.0877 4.2872 4.2872 4.3115 4.3115 4.4242 4.4242 4.4707 4.4707 4.6203 4.6203 5.0794 5.0794 5.2121 5.2121 7.3085 7.3085 8.3580 8.3580 10.0099 10.0099 11.0312 11.0312 12.4377 12.4377 13.0654 13.0654 13.6242 13.6242 k = 0.5000 0.1593 0.3871 ( 7760 PWs) bands (ev): -44.1352 -44.1352 -44.1336 -44.1336 -16.1934 -16.1934 -16.1849 -16.1849 -16.0243 -16.0243 -16.0110 -16.0110 -16.0076 -16.0076 -15.9955 -15.9955 1.8769 1.8769 2.5746 2.5746 2.6489 2.6489 2.7272 2.7272 2.9455 2.9455 3.0522 3.0522 3.1643 3.1643 3.2535 3.2535 3.4253 3.4253 3.5393 3.5393 3.6849 3.6849 3.8307 3.8307 3.9506 3.9506 4.0045 4.0045 4.0948 4.0948 4.2839 4.2839 4.3123 4.3123 4.4270 4.4270 4.4646 4.4646 4.6047 4.6047 5.0947 5.0947 5.1878 5.1878 7.4250 7.4250 8.4734 8.4734 9.9534 9.9534 10.9815 10.9815 12.2710 12.2710 13.1773 13.1773 13.6735 13.6735 k = 0.5000 0.1692 0.3731 ( 7762 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1935 -16.1935 -16.1847 -16.1847 -16.0243 -16.0243 -16.0112 -16.0112 -16.0075 -16.0075 -15.9955 -15.9955 1.8496 1.8496 2.5705 2.5705 2.6400 2.6400 2.7080 2.7080 2.9334 2.9334 3.0678 3.0678 3.1682 3.1682 3.2604 3.2604 3.4286 3.4286 3.5475 3.5475 3.6929 3.6929 3.8366 3.8366 3.9504 3.9504 4.0070 4.0070 4.1025 4.1025 4.2787 4.2787 4.3133 4.3133 4.4255 4.4255 4.4618 4.4618 4.5939 4.5939 5.0734 5.0734 5.1972 5.1972 7.5468 7.5468 8.5899 8.5899 9.9009 9.9009 10.9297 10.9297 12.0907 12.0907 13.2889 13.2889 13.7378 13.7378 k = 0.5000 0.1792 0.3590 ( 7770 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1937 -16.1937 -16.1845 -16.1845 -16.0243 -16.0243 -16.0113 -16.0113 -16.0074 -16.0074 -15.9955 -15.9955 1.8240 1.8240 2.5665 2.5665 2.6304 2.6304 2.6908 2.6908 2.9216 2.9216 3.0814 3.0814 3.1722 3.1722 3.2675 3.2675 3.4290 3.4290 3.5605 3.5605 3.7012 3.7012 3.8424 3.8424 3.9494 3.9494 4.0093 4.0093 4.1104 4.1104 4.2718 4.2718 4.3143 4.3143 4.4198 4.4198 4.4635 4.4635 4.5871 4.5871 5.0321 5.0321 5.2238 5.2238 7.6732 7.6732 8.7071 8.7071 9.8530 9.8530 10.8755 10.8755 11.9036 11.9036 13.3965 13.3965 13.7232 13.7232 k = 0.5000 0.1891 0.3449 ( 7770 PWs) bands (ev): -44.1353 -44.1353 -44.1335 -44.1335 -16.1939 -16.1939 -16.1843 -16.1843 -16.0243 -16.0243 -16.0115 -16.0115 -16.0072 -16.0072 -15.9955 -15.9955 1.8002 1.8002 2.5628 2.5628 2.6200 2.6200 2.6759 2.6759 2.9102 2.9102 3.0929 3.0929 3.1764 3.1764 3.2748 3.2748 3.4269 3.4269 3.5771 3.5771 3.7097 3.7097 3.8480 3.8480 3.9476 3.9476 4.0114 4.0114 4.1177 4.1177 4.2640 4.2640 4.3151 4.3151 4.4128 4.4128 4.4681 4.4681 4.5828 4.5828 4.9855 4.9855 5.2534 5.2534 7.8030 7.8030 8.8247 8.8247 9.8102 9.8102 10.8185 10.8185 11.7139 11.7139 13.4770 13.4770 13.6276 13.6276 k = 0.5000 0.1991 0.3308 ( 7768 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1940 -16.1940 -16.1841 -16.1841 -16.0243 -16.0243 -16.0116 -16.0116 -16.0071 -16.0071 -15.9955 -15.9955 1.7784 1.7784 2.5593 2.5593 2.6089 2.6089 2.6636 2.6636 2.8996 2.8996 3.1022 3.1022 3.1809 3.1809 3.2821 3.2821 3.4233 3.4233 3.5957 3.5957 3.7185 3.7185 3.8533 3.8533 3.9450 3.9450 4.0134 4.0134 4.1228 4.1228 4.2576 4.2576 4.3159 4.3159 4.4068 4.4068 4.4737 4.4737 4.5803 4.5803 4.9377 4.9377 5.2821 5.2821 7.9352 7.9352 8.9423 8.9423 9.7731 9.7731 10.7584 10.7584 11.5240 11.5240 13.4330 13.4330 13.6637 13.6637 k = 0.5000 0.2090 0.3167 ( 7770 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1941 -16.1941 -16.1840 -16.1840 -16.0243 -16.0243 -16.0117 -16.0117 -16.0070 -16.0070 -15.9955 -15.9955 1.7587 1.7587 2.5561 2.5561 2.5975 2.5975 2.6535 2.6535 2.8898 2.8898 3.1096 3.1096 3.1857 3.1857 3.2892 3.2892 3.4188 3.4188 3.6152 3.6152 3.7276 3.7276 3.8584 3.8584 3.9418 3.9418 4.0151 4.0151 4.1239 4.1239 4.2553 4.2553 4.3166 4.3166 4.4025 4.4025 4.4795 4.4795 4.5785 4.5785 4.8901 4.8901 5.3088 5.3088 8.0683 8.0683 9.0592 9.0592 9.7426 9.7426 10.6945 10.6945 11.3358 11.3358 13.3345 13.3345 13.7616 13.7616 k = 0.5000 0.2190 0.3027 ( 7776 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1942 -16.1942 -16.1839 -16.1839 -16.0244 -16.0244 -16.0118 -16.0118 -16.0069 -16.0069 -15.9955 -15.9955 1.7410 1.7410 2.5533 2.5533 2.5863 2.5863 2.6454 2.6454 2.8811 2.8811 3.1151 3.1151 3.1907 3.1907 3.2962 3.2962 3.4138 3.4138 3.6345 3.6345 3.7368 3.7368 3.8632 3.8632 3.9379 3.9379 4.0165 4.0165 4.1197 4.1197 4.2594 4.2594 4.3172 4.3172 4.3998 4.3998 4.4851 4.4851 4.5766 4.5766 4.8438 4.8438 5.3330 5.3330 8.2006 8.2006 9.1748 9.1748 9.7199 9.7199 10.6267 10.6267 11.1510 11.1510 13.2384 13.2384 13.8641 13.8641 k = 0.5000 0.2289 0.2886 ( 7768 PWs) bands (ev): -44.1354 -44.1354 -44.1334 -44.1334 -16.1943 -16.1943 -16.1837 -16.1837 -16.0244 -16.0244 -16.0119 -16.0119 -16.0068 -16.0068 -15.9955 -15.9955 1.7256 1.7256 2.5508 2.5508 2.5759 2.5759 2.6389 2.6389 2.8733 2.8733 3.1192 3.1192 3.1957 3.1957 3.3027 3.3027 3.4088 3.4088 3.6528 3.6528 3.7464 3.7464 3.8677 3.8677 3.9333 3.9333 4.0177 4.0177 4.1107 4.1107 4.2704 4.2704 4.3178 4.3178 4.3986 4.3986 4.4901 4.4901 4.5739 4.5739 4.7996 4.7996 5.3543 5.3543 8.3298 8.3298 9.2881 9.2881 9.7068 9.7068 10.5544 10.5544 10.9712 10.9712 13.1518 13.1518 13.9633 13.9633 k = 0.5000 0.2389 0.2745 ( 7758 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1944 -16.1944 -16.1836 -16.1836 -16.0244 -16.0244 -16.0120 -16.0120 -16.0067 -16.0067 -15.9954 -15.9954 1.7124 1.7124 2.5486 2.5486 2.5666 2.5666 2.6338 2.6338 2.8667 2.8667 3.1221 3.1221 3.2004 3.2004 3.3087 3.3087 3.4038 3.4038 3.6694 3.6694 3.7563 3.7563 3.8718 3.8718 3.9279 3.9279 4.0186 4.0186 4.0989 4.0989 4.2866 4.2866 4.3187 4.3187 4.3991 4.3991 4.4945 4.4945 4.5691 4.5691 4.7589 4.7589 5.3727 5.3727 8.4528 8.4528 9.3972 9.3972 9.7060 9.7060 10.4772 10.4772 10.7986 10.7986 13.0767 13.0767 14.0559 14.0559 k = 0.5000 0.2489 0.2604 ( 7754 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1945 -16.1945 -16.1835 -16.1835 -16.0244 -16.0244 -16.0120 -16.0120 -16.0066 -16.0066 -15.9954 -15.9954 1.7015 1.7015 2.5468 2.5468 2.5587 2.5587 2.6297 2.6297 2.8613 2.8613 3.1240 3.1240 3.2047 3.2047 3.3141 3.3141 3.3992 3.3992 3.6834 3.6834 3.7664 3.7664 3.8753 3.8753 3.9220 3.9220 4.0191 4.0191 4.0867 4.0867 4.3045 4.3045 4.3211 4.3211 4.4014 4.4014 4.4982 4.4982 4.5607 4.5607 4.7235 4.7235 5.3879 5.3879 8.5654 8.5654 9.4995 9.4995 9.7212 9.7212 10.3950 10.3950 10.6365 10.6365 13.0140 13.0140 14.1387 14.1387 k = 0.5000 0.2588 0.2464 ( 7752 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1945 -16.1945 -16.1835 -16.1835 -16.0244 -16.0244 -16.0121 -16.0121 -16.0066 -16.0066 -15.9954 -15.9954 1.6930 1.6930 2.5453 2.5453 2.5525 2.5525 2.6266 2.6266 2.8570 2.8570 3.1254 3.1254 3.2082 3.2082 3.3187 3.3187 3.3951 3.3951 3.6945 3.6945 3.7764 3.7764 3.8783 3.8783 3.9157 3.9157 4.0192 4.0192 4.0757 4.0757 4.3144 4.3144 4.3316 4.3316 4.4071 4.4071 4.5010 4.5010 4.5470 4.5470 4.6958 4.6958 5.3998 5.3998 8.6620 8.6620 9.5905 9.5905 9.7565 9.7565 10.3079 10.3079 10.4898 10.4898 12.9646 12.9646 14.2082 14.2082 k = 0.5000 0.2688 0.2323 ( 7762 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1834 -16.1834 -16.0244 -16.0244 -16.0121 -16.0121 -16.0066 -16.0066 -15.9954 -15.9954 1.6869 1.6869 2.5441 2.5441 2.5482 2.5482 2.6244 2.6244 2.8539 2.8539 3.1262 3.1262 3.2109 3.2109 3.3222 3.3222 3.3919 3.3919 3.7023 3.7023 3.7854 3.7854 3.8806 3.8806 3.9097 3.9097 4.0191 4.0191 4.0673 4.0673 4.3163 4.3163 4.3465 4.3465 4.4181 4.4181 4.5028 4.5028 4.5275 4.5275 4.6771 4.6771 5.4084 5.4084 8.7368 8.7368 9.6670 9.6670 9.8107 9.8107 10.2186 10.2186 10.3662 10.3662 12.9290 12.9290 14.2602 14.2602 k = 0.5000 0.2787 0.2182 ( 7762 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1834 -16.1834 -16.0244 -16.0244 -16.0122 -16.0122 -16.0066 -16.0066 -15.9954 -15.9954 1.6833 1.6833 2.5431 2.5431 2.5458 2.5458 2.6231 2.6231 2.8520 2.8520 3.1266 3.1266 3.2125 3.2125 3.3245 3.3245 3.3898 3.3898 3.7070 3.7070 3.7920 3.7920 3.8820 3.8820 3.9051 3.9051 4.0188 4.0188 4.0621 4.0621 4.3169 4.3169 4.3559 4.3559 4.4348 4.4348 4.5006 4.5006 4.5081 4.5081 4.6669 4.6669 5.4136 5.4136 8.7841 8.7841 9.7264 9.7264 9.8675 9.8675 10.1404 10.1404 10.2764 10.2764 12.9075 12.9075 14.2899 14.2899 k = 0.5000 0.2887 0.2041 ( 7744 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1833 -16.1833 -16.0244 -16.0244 -16.0121 -16.0121 -16.0065 -16.0065 -15.9953 -15.9953 1.6820 1.6820 2.5426 2.5426 2.5451 2.5451 2.6227 2.6227 2.8514 2.8514 3.1268 3.1268 3.2131 3.2131 3.3253 3.3253 3.3891 3.3891 3.7085 3.7085 3.7944 3.7944 3.8825 3.8825 3.9034 3.9034 4.0186 4.0186 4.0604 4.0604 4.3170 4.3170 4.3589 4.3589 4.4466 4.4466 4.4895 4.4895 4.5060 4.5060 4.6637 4.6637 5.4153 5.4153 8.8003 8.8003 9.7523 9.7523 9.8942 9.8942 10.1058 10.1058 10.2408 10.2408 12.9003 12.9003 14.2983 14.2983 k = 0.5000 0.2887 0.2041 ( 7744 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1833 -16.1833 -16.0244 -16.0244 -16.0121 -16.0121 -16.0065 -16.0065 -15.9953 -15.9953 1.6820 1.6820 2.5426 2.5426 2.5451 2.5451 2.6227 2.6227 2.8514 2.8514 3.1268 3.1268 3.2131 3.2131 3.3253 3.3253 3.3891 3.3891 3.7085 3.7085 3.7944 3.7944 3.8825 3.8825 3.9034 3.9034 4.0186 4.0186 4.0604 4.0604 4.3170 4.3170 4.3589 4.3589 4.4466 4.4466 4.4895 4.4895 4.5060 4.5060 4.6637 4.6637 5.4153 5.4153 8.8003 8.8003 9.7523 9.7523 9.8942 9.8942 10.1058 10.1058 10.2408 10.2408 12.9003 12.9003 14.2983 14.2983 k = 0.4950 0.2858 0.2205 ( 7759 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1834 -16.1834 -16.0244 -16.0244 -16.0121 -16.0121 -16.0066 -16.0066 -15.9954 -15.9954 1.6833 1.6833 2.5430 2.5430 2.5458 2.5458 2.6231 2.6231 2.8521 2.8521 3.1266 3.1266 3.2125 3.2125 3.3245 3.3245 3.3898 3.3898 3.7070 3.7070 3.7920 3.7920 3.8820 3.8820 3.9051 3.9051 4.0188 4.0188 4.0622 4.0622 4.3169 4.3169 4.3559 4.3559 4.4348 4.4348 4.5007 4.5007 4.5081 4.5081 4.6669 4.6669 5.4136 5.4136 8.7840 8.7840 9.7263 9.7263 9.8672 9.8672 10.1408 10.1408 10.2767 10.2767 12.9076 12.9076 14.2898 14.2898 k = 0.4900 0.2829 0.2368 ( 7757 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1946 -16.1946 -16.1834 -16.1834 -16.0244 -16.0244 -16.0121 -16.0121 -16.0066 -16.0066 -15.9954 -15.9954 1.6870 1.6870 2.5440 2.5440 2.5483 2.5483 2.6244 2.6244 2.8539 2.8539 3.1262 3.1262 3.2109 3.2109 3.3222 3.3222 3.3920 3.3920 3.7023 3.7023 3.7854 3.7854 3.8806 3.8806 3.9097 3.9097 4.0191 4.0191 4.0674 4.0674 4.3163 4.3163 4.3464 4.3464 4.4180 4.4180 4.5028 4.5028 4.5276 4.5276 4.6772 4.6772 5.4084 5.4084 8.7362 8.7362 9.6686 9.6686 9.8068 9.8068 10.2221 10.2221 10.3657 10.3657 12.9293 12.9293 14.2594 14.2594 k = 0.4850 0.2800 0.2531 ( 7751 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1945 -16.1945 -16.1835 -16.1835 -16.0244 -16.0244 -16.0121 -16.0121 -16.0066 -16.0066 -15.9954 -15.9954 1.6931 1.6931 2.5452 2.5452 2.5527 2.5527 2.6266 2.6266 2.8570 2.8570 3.1253 3.1253 3.2082 3.2082 3.3186 3.3186 3.3952 3.3952 3.6943 3.6943 3.7763 3.7763 3.8784 3.8784 3.9156 3.9156 4.0193 4.0193 4.0758 4.0758 4.3144 4.3144 4.3314 4.3314 4.4069 4.4069 4.5009 4.5009 4.5472 4.5472 4.6962 4.6962 5.3997 5.3997 8.6605 8.6605 9.6036 9.6036 9.7367 9.7367 10.3221 10.3221 10.4841 10.4841 12.9652 12.9652 14.2052 14.2052 k = 0.4800 0.2771 0.2694 ( 7755 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1945 -16.1945 -16.1835 -16.1835 -16.0244 -16.0244 -16.0120 -16.0120 -16.0066 -16.0066 -15.9954 -15.9954 1.7017 1.7017 2.5466 2.5466 2.5590 2.5590 2.6297 2.6297 2.8613 2.8613 3.1240 3.1240 3.2046 3.2046 3.3140 3.3140 3.3993 3.3993 3.6832 3.6832 3.7663 3.7663 3.8756 3.8756 3.9214 3.9214 4.0195 4.0195 4.0868 4.0868 4.3043 4.3043 4.3210 4.3210 4.4012 4.4012 4.4981 4.4981 4.5609 4.5609 4.7242 4.7242 5.3876 5.3876 8.5620 8.5620 9.5394 9.5394 9.6669 9.6669 10.4298 10.4298 10.6196 10.6196 13.0151 13.0151 14.1313 14.1313 k = 0.4750 0.2742 0.2858 ( 7762 PWs) bands (ev): -44.1354 -44.1354 -44.1333 -44.1333 -16.1944 -16.1944 -16.1836 -16.1836 -16.0244 -16.0244 -16.0120 -16.0120 -16.0067 -16.0067 -15.9955 -15.9955 1.7127 1.7127 2.5484 2.5484 2.5670 2.5670 2.6339 2.6339 2.8669 2.8669 3.1220 3.1220 3.2003 3.2003 3.3086 3.3086 3.4039 3.4039 3.6690 3.6690 3.7562 3.7562 3.8723 3.8723 3.9261 3.9261 4.0200 4.0200 4.0990 4.0990 4.2867 4.2867 4.3187 4.3187 4.3985 4.3985 4.4944 4.4944 4.5692 4.5692 4.7599 4.7599 5.3723 5.3723 8.4462 8.4462 9.4766 9.4766 9.6015 9.6015 10.5420 10.5420 10.7657 10.7657 13.0785 13.0785 14.0416 14.0416 k = 0.4700 0.2714 0.3021 ( 7764 PWs) bands (ev): -44.1354 -44.1354 -44.1334 -44.1334 -16.1943 -16.1943 -16.1837 -16.1837 -16.0244 -16.0244 -16.0119 -16.0119 -16.0068 -16.0068 -15.9955 -15.9955 1.7260 1.7260 2.5505 2.5505 2.5765 2.5765 2.6391 2.6391 2.8735 2.8735 3.1191 3.1191 3.1956 3.1956 3.3025 3.3025 3.4090 3.4090 3.6523 3.6523 3.7464 3.7464 3.8688 3.8688 3.9289 3.9289 4.0209 4.0209 4.1106 4.1106 4.2713 4.2713 4.3177 4.3177 4.3975 4.3975 4.4899 4.4899 4.5739 4.5739 4.8009 4.8009 5.3538 5.3538 8.3182 8.3182 9.4143 9.4143 9.5418 9.5418 10.6577 10.6577 10.9181 10.9181 13.1547 13.1547 13.9397 13.9397 k = 0.4650 0.2685 0.3184 ( 7765 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1942 -16.1942 -16.1839 -16.1839 -16.0244 -16.0244 -16.0118 -16.0118 -16.0069 -16.0069 -15.9955 -15.9955 1.7415 1.7415 2.5529 2.5529 2.5872 2.5872 2.6457 2.6457 2.8813 2.8813 3.1149 3.1149 3.1905 3.1905 3.2960 3.2960 3.4142 3.4142 3.6339 3.6339 3.7369 3.7369 3.8651 3.8651 3.9296 3.9296 4.0226 4.0226 4.1193 4.1193 4.2618 4.2618 4.3171 4.3171 4.3976 4.3976 4.4848 4.4848 4.5766 4.5766 4.8456 4.8456 5.3322 5.3322 8.1822 8.1822 9.3517 9.3517 9.4878 9.4878 10.7766 10.7766 11.0739 11.0739 13.2431 13.2431 13.8293 13.8293 k = 0.4600 0.2656 0.3348 ( 7771 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1941 -16.1941 -16.1840 -16.1840 -16.0244 -16.0244 -16.0117 -16.0117 -16.0070 -16.0070 -15.9955 -15.9955 1.7593 1.7593 2.5556 2.5556 2.5988 2.5988 2.6538 2.6538 2.8901 2.8901 3.1092 3.1092 3.1856 3.1856 3.2891 3.2891 3.4193 3.4193 3.6143 3.6143 3.7278 3.7278 3.8612 3.8612 3.9281 3.9281 4.0251 4.0251 4.1233 4.1233 4.2600 4.2600 4.3165 4.3165 4.3984 4.3984 4.4794 4.4794 4.5782 4.5782 4.8925 4.8925 5.3077 5.3077 8.0412 8.0412 9.2894 9.2894 9.4382 9.4382 10.8986 10.8986 11.2310 11.2310 13.3419 13.3419 13.7142 13.7142 k = 0.4550 0.2627 0.3511 ( 7767 PWs) bands (ev): -44.1353 -44.1353 -44.1334 -44.1334 -16.1940 -16.1940 -16.1841 -16.1841 -16.0243 -16.0243 -16.0116 -16.0116 -16.0071 -16.0071 -15.9955 -15.9955 1.7791 1.7791 2.5586 2.5586 2.6106 2.6106 2.6640 2.6640 2.8998 2.8998 3.1016 3.1016 3.1809 3.1809 3.2820 3.2820 3.4242 3.4242 3.5943 3.5943 3.7188 3.7188 3.8571 3.8571 3.9245 3.9245 4.0281 4.0281 4.1223 4.1223 4.2657 4.2657 4.3160 4.3160 4.3999 4.3999 4.4741 4.4741 4.5795 4.5795 4.9408 4.9408 5.2806 5.2806 7.8976 7.8976 9.2281 9.2281 9.3919 9.3919 11.0236 11.0236 11.3874 11.3874 13.4439 13.4439 13.6039 13.6039 k = 0.4500 0.2598 0.3674 ( 7768 PWs) bands (ev): -44.1353 -44.1353 -44.1335 -44.1335 -16.1938 -16.1938 -16.1843 -16.1843 -16.0243 -16.0243 -16.0115 -16.0115 -16.0072 -16.0072 -15.9955 -15.9955 1.8009 1.8009 2.5619 2.5619 2.6223 2.6223 2.6767 2.6767 2.9103 2.9103 3.0919 3.0919 3.1768 3.1768 3.2748 3.2748 3.4285 3.4285 3.5748 3.5748 3.7100 3.7100 3.8528 3.8528 3.9193 3.9193 4.0313 4.0313 4.1180 4.1180 4.2762 4.2762 4.3155 4.3155 4.4016 4.4016 4.4698 4.4698 4.5811 4.5811 4.9898 4.9898 5.2510 5.2510 7.7533 7.7533 9.1686 9.1686 9.3478 9.3478 11.1516 11.1516 11.5413 11.5413 13.4471 13.4471 13.6021 13.6021 k = 0.4450 0.2569 0.3838 ( 7768 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1937 -16.1937 -16.1845 -16.1845 -16.0243 -16.0243 -16.0114 -16.0114 -16.0073 -16.0073 -15.9955 -15.9955 1.8246 1.8246 2.5654 2.5654 2.6332 2.6332 2.6921 2.6921 2.9214 2.9214 3.0799 3.0799 3.1731 3.1731 3.2677 3.2677 3.4315 3.4315 3.5568 3.5568 3.7015 3.7015 3.8484 3.8484 3.9128 3.9128 4.0340 4.0340 4.1125 4.1125 4.2885 4.2885 4.3154 4.3154 4.4030 4.4030 4.4677 4.4677 4.5835 4.5835 5.0387 5.0387 5.2194 5.2194 7.6096 7.6096 9.1112 9.1112 9.3053 9.3053 11.2823 11.2823 11.6905 11.6905 13.3396 13.3396 13.7226 13.7226 k = 0.4400 0.2540 0.4001 ( 7764 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1935 -16.1935 -16.1847 -16.1847 -16.0243 -16.0243 -16.0113 -16.0113 -16.0074 -16.0074 -15.9955 -15.9955 1.8499 1.8499 2.5693 2.5693 2.6433 2.6433 2.7103 2.7103 2.9328 2.9328 3.0658 3.0658 3.1699 3.1699 3.2607 3.2607 3.4325 3.4325 3.5414 3.5414 3.6932 3.6932 3.8439 3.8439 3.9055 3.9055 4.0355 4.0355 4.1077 4.1077 4.2992 4.2992 4.3163 4.3163 4.4029 4.4029 4.4696 4.4696 4.5873 4.5873 5.0866 5.0866 5.1864 5.1864 7.4681 7.4681 9.0563 9.0563 9.2643 9.2643 11.4158 11.4158 11.8317 11.8317 13.2295 13.2295 13.8587 13.8587 k = 0.4350 0.2511 0.4164 ( 7760 PWs) bands (ev): -44.1352 -44.1352 -44.1335 -44.1335 -16.1933 -16.1933 -16.1849 -16.1849 -16.0242 -16.0242 -16.0112 -16.0112 -16.0075 -16.0075 -15.9955 -15.9955 1.8767 1.8767 2.5735 2.5735 2.6526 2.6526 2.7308 2.7308 2.9442 2.9442 3.0499 3.0499 3.1671 3.1671 3.2540 3.2540 3.4304 3.4304 3.5302 3.5302 3.6854 3.6854 3.8392 3.8392 3.8975 3.8975 4.0352 4.0352 4.1046 4.1046 4.3055 4.3055 4.3193 4.3193 4.4006 4.4006 4.4763 4.4763 4.5932 4.5932 5.1263 5.1263 5.1588 5.1588 7.3298 7.3298 9.0040 9.0040 9.2245 9.2245 11.5518 11.5518 11.9597 11.9597 13.1300 13.1300 13.9103 13.9103 k = 0.4300 0.2483 0.4327 ( 7764 PWs) bands (ev): -44.1351 -44.1351 -44.1336 -44.1336 -16.1932 -16.1932 -16.1851 -16.1851 -16.0242 -16.0242 -16.0111 -16.0111 -16.0076 -16.0076 -15.9956 -15.9956 1.9048 1.9048 2.5780 2.5780 2.6613 2.6613 2.7532 2.7532 2.9547 2.9547 3.0328 3.0328 3.1646 3.1646 3.2476 3.2476 3.4246 3.4246 3.5241 3.5241 3.6782 3.6782 3.8343 3.8343 3.8892 3.8892 4.0327 4.0327 4.1038 4.1038 4.3075 4.3075 4.3237 4.3237 4.3963 4.3963 4.4869 4.4869 4.6024 4.6024 5.1081 5.1081 5.1859 5.1859 7.1960 7.1960 8.9545 8.9545 9.1860 9.1860 11.6902 11.6902 12.0655 12.0655 13.0516 13.0516 13.8722 13.8722 k = 0.4250 0.2454 0.4491 ( 7759 PWs) bands (ev): -44.1351 -44.1351 -44.1336 -44.1336 -16.1930 -16.1930 -16.1853 -16.1853 -16.0242 -16.0242 -16.0110 -16.0110 -16.0076 -16.0076 -15.9956 -15.9956 1.9339 1.9339 2.5831 2.5831 2.6694 2.6694 2.7771 2.7771 2.9620 2.9620 3.0169 3.0169 3.1624 3.1624 3.2417 3.2417 3.4155 3.4155 3.5229 3.5229 3.6717 3.6717 3.8294 3.8294 3.8807 3.8807 4.0283 4.0283 4.1050 4.1050 4.3079 4.3079 4.3268 4.3268 4.3910 4.3910 4.4989 4.4989 4.6160 4.6160 5.0717 5.0717 5.2272 5.2272 7.0683 7.0683 8.9078 8.9078 9.1489 9.1489 11.8304 11.8304 12.1358 12.1358 13.0085 13.0085 13.8340 13.8340 k = 0.4200 0.2425 0.4654 ( 7756 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1927 -16.1927 -16.1856 -16.1856 -16.0241 -16.0241 -16.0110 -16.0110 -16.0076 -16.0076 -15.9956 -15.9956 1.9637 1.9637 2.5887 2.5887 2.6770 2.6770 2.8017 2.8017 2.9603 2.9603 3.0082 3.0082 3.1604 3.1604 3.2361 3.2361 3.4047 3.4047 3.5253 3.5253 3.6662 3.6662 3.8243 3.8243 3.8721 3.8721 4.0222 4.0222 4.1077 4.1077 4.3078 4.3078 4.3277 4.3277 4.3855 4.3855 4.5101 4.5101 4.6350 4.6350 5.0337 5.0337 5.2653 5.2653 6.9483 6.9483 8.8638 8.8638 9.1132 9.1132 11.9706 11.9706 12.1587 12.1587 13.0146 13.0146 13.7970 13.7970 k = 0.4150 0.2396 0.4817 ( 7758 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1925 -16.1925 -16.1858 -16.1858 -16.0241 -16.0241 -16.0110 -16.0110 -16.0076 -16.0076 -15.9956 -15.9956 1.9939 1.9939 2.5949 2.5949 2.6840 2.6840 2.8261 2.8261 2.9465 2.9465 3.0106 3.0106 3.1587 3.1587 3.2308 3.2308 3.3937 3.3937 3.5298 3.5298 3.6621 3.6621 3.8193 3.8193 3.8635 3.8635 4.0152 4.0152 4.1113 4.1113 4.3076 4.3076 4.3264 4.3264 4.3804 4.3804 4.5193 4.5193 4.6593 4.6593 4.9956 4.9956 5.2976 5.2976 6.8380 6.8380 8.8225 8.8225 9.0791 9.0791 12.0838 12.0838 12.1600 12.1600 13.0713 13.0713 13.7617 13.7617 k = 0.4100 0.2367 0.4981 ( 7752 PWs) bands (ev): -44.1350 -44.1350 -44.1337 -44.1337 -16.1923 -16.1923 -16.1860 -16.1860 -16.0240 -16.0240 -16.0111 -16.0111 -16.0075 -16.0075 -15.9957 -15.9957 2.0240 2.0240 2.6020 2.6020 2.6903 2.6903 2.8478 2.8478 2.9283 2.9283 3.0182 3.0182 3.1572 3.1572 3.2258 3.2258 3.3837 3.3837 3.5353 3.5353 3.6596 3.6596 3.8143 3.8143 3.8551 3.8551 4.0076 4.0076 4.1154 4.1154 4.3072 4.3072 4.3237 4.3237 4.3757 4.3757 4.5263 4.5263 4.6882 4.6882 4.9585 4.9585 5.3217 5.3217 6.7401 6.7401 8.7839 8.7839 9.0468 9.0468 12.0442 12.0442 12.2779 12.2779 13.1659 13.1659 13.7283 13.7283 k = 0.4050 0.2338 0.5144 ( 7766 PWs) bands (ev): -44.1349 -44.1349 -44.1338 -44.1338 -16.1921 -16.1921 -16.1863 -16.1863 -16.0240 -16.0240 -16.0112 -16.0112 -16.0074 -16.0074 -15.9957 -15.9957 2.0535 2.0535 2.6099 2.6099 2.6957 2.6957 2.8585 2.8585 2.9176 2.9176 3.0269 3.0269 3.1563 3.1563 3.2212 3.2212 3.3754 3.3754 3.5405 3.5405 3.6594 3.6594 3.8096 3.8096 3.8470 3.8470 3.9999 3.9999 4.1195 4.1195 4.3062 4.3062 4.3204 4.3204 4.3714 4.3714 4.5315 4.5315 4.7197 4.7197 4.9236 4.9236 5.3351 5.3351 6.6573 6.6573 8.7479 8.7479 9.0162 9.0162 11.9553 11.9553 12.4236 12.4236 13.2834 13.2834 13.6973 13.6973 k = 0.4000 0.2309 0.5307 ( 7762 PWs) bands (ev): -44.1349 -44.1349 -44.1339 -44.1339 -16.1919 -16.1919 -16.1865 -16.1865 -16.0239 -16.0239 -16.0114 -16.0114 -16.0073 -16.0073 -15.9958 -15.9958 2.0819 2.0819 2.6189 2.6189 2.6999 2.6999 2.8481 2.8481 2.9258 2.9258 3.0354 3.0354 3.1559 3.1559 3.2171 3.2171 3.3694 3.3694 3.5446 3.5446 3.6619 3.6619 3.8053 3.8053 3.8396 3.8396 3.9923 3.9923 4.1232 4.1232 4.3034 4.3034 4.3183 4.3183 4.3673 4.3673 4.5354 4.5354 4.7510 4.7510 4.8936 4.8936 5.3354 5.3354 6.5924 6.5924 8.7144 8.7144 8.9877 8.9877 11.8512 11.8512 12.5722 12.5722 13.4129 13.4129 13.6695 13.6695 k = 0.3950 0.2281 0.5471 ( 7766 PWs) bands (ev): -44.1348 -44.1348 -44.1339 -44.1339 -16.1917 -16.1917 -16.1868 -16.1868 -16.0239 -16.0239 -16.0116 -16.0116 -16.0071 -16.0071 -15.9958 -15.9958 2.1087 2.1087 2.6288 2.6288 2.7021 2.7021 2.8271 2.8271 2.9428 2.9428 3.0432 3.0432 3.1562 3.1562 3.2139 3.2139 3.3660 3.3660 3.5468 3.5468 3.6671 3.6671 3.8010 3.8010 3.8339 3.8339 3.9851 3.9851 4.1263 4.1263 4.2981 4.2981 4.3183 4.3183 4.3631 4.3631 4.5380 4.5380 4.7747 4.7747 4.8756 4.8756 5.3209 5.3209 6.5477 6.5477 8.6834 8.6834 8.9611 8.9611 11.7396 11.7396 12.7214 12.7214 13.5463 13.5463 13.6474 13.6474 k = 0.3900 0.2252 0.5634 ( 7774 PWs) bands (ev): -44.1348 -44.1348 -44.1339 -44.1339 -16.1915 -16.1915 -16.1870 -16.1870 -16.0238 -16.0238 -16.0118 -16.0118 -16.0069 -16.0069 -15.9959 -15.9959 2.1331 2.1331 2.6396 2.6396 2.7010 2.7010 2.8059 2.8059 2.9593 2.9593 3.0502 3.0502 3.1573 3.1573 3.2121 3.2121 3.3654 3.3654 3.5467 3.5467 3.6747 3.6747 3.7963 3.7963 3.8311 3.8311 3.9787 3.9787 4.1283 4.1283 4.2910 4.2910 4.3199 4.3199 4.3589 4.3589 4.5395 4.5395 4.7778 4.7778 4.8824 4.8824 5.2915 5.2915 6.5240 6.5240 8.6548 8.6548 8.9368 8.9368 11.6240 11.6240 12.8688 12.8688 13.6181 13.6181 13.6929 13.6929 k = 0.3850 0.2223 0.5797 ( 7778 PWs) bands (ev): -44.1347 -44.1347 -44.1340 -44.1340 -16.1913 -16.1913 -16.1873 -16.1873 -16.0238 -16.0238 -16.0121 -16.0121 -16.0066 -16.0066 -15.9960 -15.9960 2.1545 2.1545 2.6503 2.6503 2.6943 2.6943 2.7902 2.7902 2.9718 2.9718 3.0563 3.0563 3.1588 3.1588 3.2124 3.2124 3.3678 3.3678 3.5446 3.5446 3.6836 3.6836 3.7907 3.7907 3.8330 3.8330 3.9733 3.9733 4.1287 4.1287 4.2831 4.2831 4.3225 4.3225 4.3546 4.3546 4.5399 4.5399 4.7638 4.7638 4.9096 4.9096 5.2499 5.2499 6.5207 6.5207 8.6286 8.6286 8.9146 8.9146 11.5065 11.5065 13.0109 13.0109 13.6116 13.6116 13.8212 13.8212 k = 0.3800 0.2194 0.5960 ( 7786 PWs) bands (ev): -44.1347 -44.1347 -44.1340 -44.1340 -16.1911 -16.1911 -16.1875 -16.1875 -16.0237 -16.0237 -16.0124 -16.0124 -16.0064 -16.0064 -15.9960 -15.9960 2.1722 2.1722 2.6577 2.6577 2.6830 2.6830 2.7838 2.7838 2.9789 2.9789 3.0612 3.0612 3.1606 3.1606 3.2150 3.2150 3.3735 3.3735 3.5411 3.5411 3.6922 3.6922 3.7848 3.7848 3.8405 3.8405 3.9691 3.9691 4.1267 4.1267 4.2749 4.2749 4.3257 4.3257 4.3504 4.3504 4.5391 4.5391 4.7460 4.7460 4.9406 4.9406 5.2021 5.2021 6.5356 6.5356 8.6045 8.6045 8.8948 8.8948 11.3883 11.3883 13.1399 13.1399 13.6182 13.6182 13.9408 13.9408 k = 0.3750 0.2165 0.6124 ( 7786 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1910 -16.1910 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1858 2.1858 2.6482 2.6482 2.6807 2.6807 2.7868 2.7868 2.9807 2.9807 3.0644 3.0644 3.1625 3.1625 3.2191 3.2191 3.3827 3.3827 3.5371 3.5371 3.6984 3.6984 3.7798 3.7798 3.8536 3.8536 3.9665 3.9665 4.1218 4.1218 4.2674 4.2674 4.3292 4.3292 4.3466 4.3466 4.5369 4.5369 4.7299 4.7299 4.9593 4.9593 5.1623 5.1623 6.5659 6.5659 8.5827 8.5827 8.8774 8.8774 11.2703 11.2703 13.2417 13.2417 13.6546 13.6546 14.0381 14.0381 k = 0.6250-0.0722 0.4082 ( 7786 PWs) bands (ev): -44.1347 -44.1347 -44.1341 -44.1341 -16.1910 -16.1910 -16.1876 -16.1876 -16.0236 -16.0236 -16.0126 -16.0126 -16.0061 -16.0061 -15.9961 -15.9961 2.1861 2.1861 2.6479 2.6479 2.6808 2.6808 2.7871 2.7871 2.9805 2.9805 3.0643 3.0643 3.1626 3.1626 3.2189 3.2189 3.3826 3.3826 3.5371 3.5371 3.6985 3.6985 3.7797 3.7797 3.8534 3.8534 3.9662 3.9662 4.1217 4.1217 4.2674 4.2674 4.3289 4.3289 4.3471 4.3471 4.5374 4.5374 4.7300 4.7300 4.9593 4.9593 5.1622 5.1622 6.5658 6.5658 8.5828 8.5828 8.8774 8.8774 11.2702 11.2702 13.2417 13.2417 13.6547 13.6547 14.0381 14.0381 k = 0.6167-0.0866 0.4082 ( 7792 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1908 -16.1908 -16.1879 -16.1879 -16.0235 -16.0235 -16.0132 -16.0132 -16.0056 -16.0056 -15.9963 -15.9963 2.2042 2.2042 2.6116 2.6116 2.6927 2.6927 2.7995 2.7995 2.9786 2.9786 3.0676 3.0676 3.1660 3.1660 3.2251 3.2251 3.4018 3.4018 3.5318 3.5318 3.7053 3.7053 3.7740 3.7740 3.8786 3.8786 3.9640 3.9640 4.1106 4.1106 4.2562 4.2562 4.3346 4.3346 4.3419 4.3419 4.5327 4.5327 4.7055 4.7055 4.9641 4.9641 5.1171 5.1171 6.6341 6.6341 8.5493 8.5493 8.8511 8.8511 11.0742 11.0742 13.3796 13.3796 13.7512 13.7512 14.1759 14.1759 k = 0.6083-0.1010 0.4082 ( 7790 PWs) bands (ev): -44.1346 -44.1346 -44.1341 -44.1341 -16.1906 -16.1906 -16.1880 -16.1880 -16.0233 -16.0233 -16.0136 -16.0136 -16.0051 -16.0051 -15.9964 -15.9964 2.2208 2.2208 2.5745 2.5745 2.7062 2.7062 2.8122 2.8122 2.9755 2.9755 3.0699 3.0699 3.1694 3.1694 3.2297 3.2297 3.4227 3.4227 3.5288 3.5288 3.7105 3.7105 3.7704 3.7704 3.9008 3.9008 3.9642 3.9642 4.0997 4.0997 4.2459 4.2459 4.3357 4.3357 4.3424 4.3424 4.5282 4.5282 4.6813 4.6813 4.9607 4.9607 5.0754 5.0754 6.7151 6.7151 8.5181 8.5181 8.8263 8.8263 10.8791 10.8791 13.5184 13.5184 13.8505 13.8505 14.3155 14.3155 k = 0.6000-0.1155 0.4082 ( 7776 PWs) bands (ev): -44.1346 -44.1346 -44.1342 -44.1342 -16.1905 -16.1905 -16.1881 -16.1881 -16.0231 -16.0231 -16.0141 -16.0141 -16.0047 -16.0047 -15.9965 -15.9965 2.2359 2.2359 2.5388 2.5388 2.7199 2.7199 2.8244 2.8244 2.9720 2.9720 3.0708 3.0708 3.1729 3.1729 3.2334 3.2334 3.4441 3.4441 3.5281 3.5281 3.7137 3.7137 3.7689 3.7689 3.9177 3.9177 3.9685 3.9685 4.0897 4.0897 4.2369 4.2369 4.3319 4.3319 4.3482 4.3482 4.5237 4.5237 4.6579 4.6579 4.9495 4.9495 5.0376 5.0376 6.8077 6.8077 8.4890 8.4890 8.8031 8.8031 10.6851 10.6851 13.6581 13.6581 13.9526 13.9526 14.4567 14.4567 k = 0.5917-0.1299 0.4082 ( 7778 PWs) bands (ev): -44.1345 -44.1345 -44.1342 -44.1342 -16.1903 -16.1903 -16.1883 -16.1883 -16.0229 -16.0229 -16.0146 -16.0146 -16.0042 -16.0042 -15.9967 -15.9967 2.2496 2.2496 2.5053 2.5053 2.7334 2.7334 2.8356 2.8356 2.9686 2.9686 3.0701 3.0701 3.1766 3.1766 3.2363 3.2363 3.4651 3.4651 3.5295 3.5295 3.7152 3.7152 3.7689 3.7689 3.9278 3.9278 3.9778 3.9778 4.0815 4.0815 4.2294 4.2294 4.3283 4.3283 4.3539 4.3539 4.5193 4.5193 4.6359 4.6359 4.9313 4.9313 5.0041 5.0041 6.9107 6.9107 8.4623 8.4623 8.7815 8.7815 10.4926 10.4926 13.7983 13.7983 14.0573 14.0573 14.5994 14.5994 k = 0.5833-0.1443 0.4082 ( 7774 PWs) bands (ev): -44.1345 -44.1345 -44.1342 -44.1342 -16.1901 -16.1901 -16.1885 -16.1885 -16.0226 -16.0226 -16.0151 -16.0151 -16.0037 -16.0037 -15.9969 -15.9969 2.2618 2.2618 2.4741 2.4741 2.7465 2.7465 2.8453 2.8453 2.9661 2.9661 3.0679 3.0679 3.1806 3.1806 3.2385 3.2385 3.4850 3.4850 3.5333 3.5333 3.7155 3.7155 3.7693 3.7693 3.9331 3.9331 3.9890 3.9890 4.0766 4.0766 4.2236 4.2236 4.3249 4.3249 4.3585 4.3585 4.5151 4.5151 4.6159 4.6159 4.9080 4.9080 4.9741 4.9741 7.0228 7.0228 8.4378 8.4378 8.7616 8.7616 10.3018 10.3018 13.9386 13.9386 14.1644 14.1644 14.7434 14.7434 k = 0.5750-0.1588 0.4082 ( 7766 PWs) bands (ev): -44.1345 -44.1345 -44.1342 -44.1342 -16.1900 -16.1900 -16.1886 -16.1886 -16.0224 -16.0224 -16.0155 -16.0155 -16.0033 -16.0033 -15.9971 -15.9971 2.2728 2.2728 2.4455 2.4455 2.7592 2.7592 2.8530 2.8530 2.9650 2.9650 3.0644 3.0644 3.1849 3.1849 3.2400 3.2400 3.5031 3.5031 3.5393 3.5393 3.7152 3.7152 3.7692 3.7692 3.9370 3.9370 3.9976 3.9976 4.0766 4.0766 4.2196 4.2196 4.3219 4.3219 4.3613 4.3613 4.5114 4.5114 4.5986 4.5986 4.8819 4.8819 4.9463 4.9463 7.1429 7.1429 8.4156 8.4156 8.7435 8.7435 10.1128 10.1128 14.0787 14.0787 14.2737 14.2737 14.8886 14.8886 k = 0.5667-0.1732 0.4082 ( 7770 PWs) bands (ev): -44.1345 -44.1345 -44.1343 -44.1343 -16.1898 -16.1898 -16.1887 -16.1887 -16.0221 -16.0221 -16.0160 -16.0160 -16.0028 -16.0028 -15.9973 -15.9973 2.2824 2.2824 2.4196 2.4196 2.7713 2.7713 2.8584 2.8584 2.9658 2.9658 3.0598 3.0598 3.1893 3.1893 3.2408 3.2408 3.5191 3.5191 3.5475 3.5475 3.7148 3.7148 3.7675 3.7675 3.9411 3.9411 4.0016 4.0016 4.0818 4.0818 4.2174 4.2174 4.3190 4.3190 4.3613 4.3613 4.5089 4.5089 4.5843 4.5843 4.8557 4.8557 4.9193 4.9193 7.2699 7.2699 8.3957 8.3957 8.7271 8.7271 9.9259 9.9259 14.2180 14.2180 14.3847 14.3847 15.0347 15.0347 k = 0.5583-0.1876 0.4082 ( 7774 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1898 -16.1898 -16.1888 -16.1888 -16.0219 -16.0219 -16.0165 -16.0165 -16.0024 -16.0024 -15.9976 -15.9976 2.2908 2.2908 2.3965 2.3965 2.7829 2.7829 2.8614 2.8614 2.9686 2.9686 3.0545 3.0545 3.1938 3.1938 3.2406 3.2406 3.5332 3.5332 3.5573 3.5573 3.7144 3.7144 3.7639 3.7639 3.9463 3.9463 4.0020 4.0020 4.0909 4.0909 4.2167 4.2167 4.3163 4.3163 4.3579 4.3579 4.5084 4.5084 4.5731 4.5731 4.8307 4.8307 4.8927 4.8927 7.4029 7.4029 8.3781 8.3781 8.7126 8.7126 9.7414 9.7414 14.3555 14.3555 14.4967 14.4967 15.1813 15.1813 k = 0.5500-0.2021 0.4082 ( 7788 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1897 -16.1897 -16.1889 -16.1889 -16.0216 -16.0216 -16.0170 -16.0170 -16.0020 -16.0020 -15.9979 -15.9979 2.2979 2.2979 2.3764 2.3764 2.7938 2.7938 2.8622 2.8622 2.9731 2.9731 3.0487 3.0487 3.1982 3.1982 3.2397 3.2397 3.5460 3.5460 3.5674 3.5674 3.7142 3.7142 3.7581 3.7581 3.9525 3.9525 4.0006 4.0006 4.1017 4.1017 4.2170 4.2170 4.3138 4.3138 4.3511 4.3511 4.5107 4.5107 4.5648 4.5648 4.8081 4.8081 4.8666 4.8666 7.5412 7.5412 8.3628 8.3628 8.7000 8.7000 9.5596 9.5596 14.4901 14.4901 14.6089 14.6089 15.3280 15.3280 k = 0.5417-0.2165 0.4082 ( 7792 PWs) bands (ev): -44.1344 -44.1344 -44.1343 -44.1343 -16.1896 -16.1896 -16.1890 -16.1890 -16.0213 -16.0213 -16.0174 -16.0174 -16.0016 -16.0016 -15.9982 -15.9982 2.3039 2.3039 2.3593 2.3593 2.8039 2.8039 2.8612 2.8612 2.9788 2.9788 3.0426 3.0426 3.2026 3.2026 3.2379 3.2379 3.5581 3.5581 3.5769 3.5769 3.7142 3.7142 3.7505 3.7505 3.9596 3.9596 3.9986 3.9986 4.1134 4.1134 4.2174 4.2174 4.3113 4.3113 4.3419 4.3419 4.5157 4.5157 4.5589 4.5589 4.7885 4.7885 4.8412 4.8412 7.6837 7.6837 8.3498 8.3498 8.6892 8.6892 9.3808 9.3808 14.6201 14.6201 14.7194 14.7194 15.4738 15.4738 k = 0.5333-0.2309 0.4082 ( 7800 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1896 -16.1896 -16.1891 -16.1891 -16.0210 -16.0210 -16.0179 -16.0179 -16.0012 -16.0012 -15.9985 -15.9985 2.3087 2.3087 2.3451 2.3451 2.8132 2.8132 2.8589 2.8589 2.9853 2.9853 3.0364 3.0364 3.2068 3.2068 3.2356 3.2356 3.5698 3.5698 3.5850 3.5850 3.7143 3.7143 3.7417 3.7417 3.9668 3.9668 3.9967 3.9967 4.1255 4.1255 4.2164 4.2164 4.3089 4.3089 4.3320 4.3320 4.5227 4.5227 4.5547 4.5547 4.7724 4.7724 4.8172 4.8172 7.8294 7.8294 8.3392 8.3392 8.6804 8.6804 9.2058 9.2058 14.7429 14.7429 14.8252 14.8252 15.6172 15.6172 k = 0.5250-0.2454 0.4082 ( 7808 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1895 -16.1895 -16.1892 -16.1892 -16.0207 -16.0207 -16.0183 -16.0183 -16.0009 -16.0009 -15.9988 -15.9988 2.3125 2.3125 2.3341 2.3341 2.8216 2.8216 2.8557 2.8557 2.9920 2.9920 3.0302 3.0302 3.2109 3.2109 3.2327 3.2327 3.5807 3.5807 3.5914 3.5914 3.7145 3.7145 3.7325 3.7325 3.9737 3.9737 3.9950 3.9950 4.1383 4.1383 4.2127 4.2127 4.3070 4.3070 4.3231 4.3231 4.5306 4.5306 4.5518 4.5518 4.7604 4.7604 4.7956 4.7956 7.9767 7.9767 8.3310 8.3310 8.6735 8.6735 9.0361 9.0361 14.8548 14.8548 14.9211 14.9211 15.7553 15.7553 k = 0.5167-0.2598 0.4082 ( 7796 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1894 -16.1894 -16.1893 -16.1893 -16.0203 -16.0203 -16.0187 -16.0187 -16.0005 -16.0005 -15.9991 -15.9991 2.3152 2.3152 2.3261 2.3261 2.8292 2.8292 2.8518 2.8518 2.9987 2.9987 3.0241 3.0241 3.2149 3.2149 3.2295 3.2295 3.5901 3.5901 3.5960 3.5960 3.7147 3.7147 3.7242 3.7242 3.9796 3.9796 3.9931 3.9931 4.1519 4.1519 4.2051 4.2051 4.3060 4.3060 4.3162 4.3162 4.5381 4.5381 4.5499 4.5499 4.7530 4.7530 4.7771 4.7771 8.1215 8.1215 8.3251 8.3251 8.6686 8.6686 8.8753 8.8753 14.9501 14.9501 14.9988 14.9988 15.8829 15.8829 k = 0.5083-0.2742 0.4082 ( 7784 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1894 -16.1894 -16.1893 -16.1893 -16.0199 -16.0199 -16.0191 -16.0191 -16.0001 -16.0001 -15.9994 -15.9994 2.3170 2.3170 2.3211 2.3211 2.8359 2.8359 2.8472 2.8472 3.0053 3.0053 3.0179 3.0179 3.2187 3.2187 3.2261 3.2261 3.5966 3.5966 3.5988 3.5988 3.7149 3.7149 3.7181 3.7181 3.9845 3.9845 3.9910 3.9910 4.1663 4.1663 4.1941 4.1941 4.3063 4.3063 4.3114 4.3114 4.5437 4.5437 4.5485 4.5485 4.7507 4.7507 4.7630 4.7630 8.2515 8.2515 8.3215 8.3215 8.6656 8.6656 8.7358 8.7358 15.0203 15.0203 15.0469 15.0469 15.9879 15.9879 k = 0.5000-0.2887 0.4082 ( 7768 PWs) bands (ev): -44.1344 -44.1344 -44.1344 -44.1344 -16.1893 -16.1893 -16.1893 -16.1893 -16.0195 -16.0195 -16.0195 -16.0195 -15.9997 -15.9997 -15.9997 -15.9997 2.3183 2.3183 2.3188 2.3188 2.8416 2.8416 2.8421 2.8421 3.0114 3.0114 3.0119 3.0119 3.2222 3.2222 3.2227 3.2227 3.5991 3.5991 3.5996 3.5996 3.7152 3.7152 3.7157 3.7157 3.9880 3.9880 3.9885 3.9885 4.1804 4.1804 4.1809 4.1809 4.3079 4.3079 4.3084 4.3084 4.5467 4.5467 4.5472 4.5472 4.7539 4.7539 4.7541 4.7541 8.3184 8.3184 8.3186 8.3186 8.6661 8.6661 8.6661 8.6661 15.0549 15.0549 15.0549 15.0549 16.0353 16.0353 Writing output data file NaAg2.save init_run : 0.24s CPU 0.34s WALL ( 1 calls) electrons : 295.72s CPU 299.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 295.71s CPU 299.29s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.11s WALL ( 272 calls) cegterg : 268.90s CPU 271.51s WALL ( 383 calls) Called by sum_band: Called by *egterg: h_psi : 173.51s CPU 175.29s WALL ( 6495 calls) s_psi : 8.51s CPU 8.63s WALL ( 6495 calls) g_psi : 0.45s CPU 0.48s WALL ( 5840 calls) cdiaghg : 71.94s CPU 72.93s WALL ( 6112 calls) cegterg:over : 13.57s CPU 13.54s WALL ( 5840 calls) cegterg:upda : 12.06s CPU 12.18s WALL ( 5840 calls) cegterg:last : 6.48s CPU 6.41s WALL ( 927 calls) cdiaghg:chol : 4.09s CPU 4.23s WALL ( 6112 calls) cdiaghg:inve : 3.06s CPU 3.05s WALL ( 6112 calls) cdiaghg:para : 5.08s CPU 5.18s WALL ( 12224 calls) Called by h_psi: h_psi:vloc : 154.44s CPU 155.99s WALL ( 6495 calls) h_psi:vnl : 18.66s CPU 18.82s WALL ( 6495 calls) add_vuspsi : 9.82s CPU 9.80s WALL ( 6495 calls) General routines calbec : 8.83s CPU 9.00s WALL ( 6495 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 145.50s CPU 147.42s WALL ( 874008 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.51s WALL ( 544 calls) Parallel routines fft_scatter : 46.32s CPU 46.72s WALL ( 874031 calls) PWSCF : 5m21.68s CPU 5m36.94s WALL This run was terminated on: 16:43:54 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=