Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 2: 4 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: ./BaPt2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 92 35 10 3530 817 128 Max 93 36 11 3534 832 132 Sum 3331 1261 367 127149 29627 4621 bravais-lattice index = 14 lattice parameter (alat) = 10.5803 a.u. unit-cell volume = 837.4965 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.580333 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Ba 10.00 137.32700 Ba( 1.00) Pt 10.00 195.08400 Pt( 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 0.2441860), 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 0.2931034 0.7068965), 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: 127149 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 29627 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 214, 72) NL pseudopotentials 0.34 Mb ( 107, 206) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3534) G-vector shells 0.01 Mb ( 749) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 214, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.45 Mb ( 206, 2, 72) The potential is recalculated from file : ./BaPt2.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 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.4 secs Computing kpt #: 7 total cpu time spent up to now is 9.5 secs Computing kpt #: 8 total cpu time spent up to now is 10.5 secs Computing kpt #: 9 total cpu time spent up to now is 11.6 secs Computing kpt #: 10 total cpu time spent up to now is 12.7 secs Computing kpt #: 11 total cpu time spent up to now is 13.8 secs Computing kpt #: 12 total cpu time spent up to now is 14.9 secs Computing kpt #: 13 total cpu time spent up to now is 16.1 secs Computing kpt #: 14 total cpu time spent up to now is 17.1 secs Computing kpt #: 15 total cpu time spent up to now is 18.2 secs Computing kpt #: 16 total cpu time spent up to now is 19.3 secs Computing kpt #: 17 total cpu time spent up to now is 20.4 secs Computing kpt #: 18 total cpu time spent up to now is 21.5 secs Computing kpt #: 19 total cpu time spent up to now is 22.5 secs Computing kpt #: 20 total cpu time spent up to now is 23.6 secs Computing kpt #: 21 total cpu time spent up to now is 24.7 secs Computing kpt #: 22 total cpu time spent up to now is 25.8 secs Computing kpt #: 23 total cpu time spent up to now is 26.9 secs Computing kpt #: 24 total cpu time spent up to now is 28.0 secs Computing kpt #: 25 total cpu time spent up to now is 29.1 secs Computing kpt #: 26 total cpu time spent up to now is 30.2 secs Computing kpt #: 27 total cpu time spent up to now is 31.3 secs Computing kpt #: 28 total cpu time spent up to now is 32.5 secs Computing kpt #: 29 total cpu time spent up to now is 33.5 secs Computing kpt #: 30 total cpu time spent up to now is 34.6 secs Computing kpt #: 31 total cpu time spent up to now is 35.8 secs Computing kpt #: 32 total cpu time spent up to now is 36.9 secs Computing kpt #: 33 total cpu time spent up to now is 38.0 secs Computing kpt #: 34 total cpu time spent up to now is 39.2 secs Computing kpt #: 35 total cpu time spent up to now is 40.3 secs Computing kpt #: 36 total cpu time spent up to now is 41.7 secs Computing kpt #: 37 total cpu time spent up to now is 43.0 secs Computing kpt #: 38 total cpu time spent up to now is 44.8 secs Computing kpt #: 39 total cpu time spent up to now is 46.3 secs Computing kpt #: 40 total cpu time spent up to now is 47.9 secs Computing kpt #: 41 total cpu time spent up to now is 49.3 secs Computing kpt #: 42 total cpu time spent up to now is 50.7 secs Computing kpt #: 43 total cpu time spent up to now is 52.0 secs Computing kpt #: 44 total cpu time spent up to now is 53.3 secs Computing kpt #: 45 total cpu time spent up to now is 54.4 secs Computing kpt #: 46 total cpu time spent up to now is 55.8 secs Computing kpt #: 47 total cpu time spent up to now is 57.2 secs Computing kpt #: 48 total cpu time spent up to now is 58.4 secs Computing kpt #: 49 total cpu time spent up to now is 59.6 secs Computing kpt #: 50 total cpu time spent up to now is 60.8 secs Computing kpt #: 51 total cpu time spent up to now is 62.0 secs Computing kpt #: 52 total cpu time spent up to now is 63.1 secs Computing kpt #: 53 total cpu time spent up to now is 64.3 secs Computing kpt #: 54 total cpu time spent up to now is 65.4 secs Computing kpt #: 55 total cpu time spent up to now is 66.6 secs Computing kpt #: 56 total cpu time spent up to now is 67.7 secs Computing kpt #: 57 total cpu time spent up to now is 68.8 secs Computing kpt #: 58 total cpu time spent up to now is 69.9 secs Computing kpt #: 59 total cpu time spent up to now is 71.0 secs Computing kpt #: 60 total cpu time spent up to now is 72.1 secs Computing kpt #: 61 total cpu time spent up to now is 73.2 secs Computing kpt #: 62 total cpu time spent up to now is 74.3 secs Computing kpt #: 63 total cpu time spent up to now is 75.4 secs Computing kpt #: 64 total cpu time spent up to now is 76.5 secs Computing kpt #: 65 total cpu time spent up to now is 77.6 secs Computing kpt #: 66 total cpu time spent up to now is 78.8 secs Computing kpt #: 67 total cpu time spent up to now is 79.9 secs Computing kpt #: 68 total cpu time spent up to now is 81.0 secs Computing kpt #: 69 total cpu time spent up to now is 82.2 secs Computing kpt #: 70 total cpu time spent up to now is 83.4 secs Computing kpt #: 71 total cpu time spent up to now is 84.6 secs Computing kpt #: 72 total cpu time spent up to now is 85.8 secs Computing kpt #: 73 total cpu time spent up to now is 87.0 secs Computing kpt #: 74 total cpu time spent up to now is 88.5 secs Computing kpt #: 75 total cpu time spent up to now is 89.7 secs Computing kpt #: 76 total cpu time spent up to now is 90.9 secs Computing kpt #: 77 total cpu time spent up to now is 92.6 secs Computing kpt #: 78 total cpu time spent up to now is 94.0 secs Computing kpt #: 79 total cpu time spent up to now is 95.4 secs Computing kpt #: 80 total cpu time spent up to now is 96.6 secs Computing kpt #: 81 total cpu time spent up to now is 97.8 secs Computing kpt #: 82 total cpu time spent up to now is 99.0 secs Computing kpt #: 83 total cpu time spent up to now is 100.1 secs Computing kpt #: 84 total cpu time spent up to now is 101.2 secs Computing kpt #: 85 total cpu time spent up to now is 102.4 secs Computing kpt #: 86 total cpu time spent up to now is 103.5 secs Computing kpt #: 87 total cpu time spent up to now is 104.7 secs Computing kpt #: 88 total cpu time spent up to now is 105.9 secs Computing kpt #: 89 total cpu time spent up to now is 107.0 secs Computing kpt #: 90 total cpu time spent up to now is 108.1 secs Computing kpt #: 91 total cpu time spent up to now is 109.2 secs Computing kpt #: 92 total cpu time spent up to now is 110.4 secs Computing kpt #: 93 total cpu time spent up to now is 111.5 secs Computing kpt #: 94 total cpu time spent up to now is 112.6 secs Computing kpt #: 95 total cpu time spent up to now is 113.7 secs Computing kpt #: 96 total cpu time spent up to now is 114.8 secs Computing kpt #: 97 total cpu time spent up to now is 115.9 secs Computing kpt #: 98 total cpu time spent up to now is 117.0 secs Computing kpt #: 99 total cpu time spent up to now is 118.1 secs Computing kpt #: 100 total cpu time spent up to now is 119.3 secs Computing kpt #: 101 total cpu time spent up to now is 120.4 secs Computing kpt #: 102 total cpu time spent up to now is 121.5 secs Computing kpt #: 103 total cpu time spent up to now is 122.6 secs Computing kpt #: 104 total cpu time spent up to now is 123.6 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 125.8 secs Computing kpt #: 107 total cpu time spent up to now is 126.9 secs Computing kpt #: 108 total cpu time spent up to now is 128.0 secs Computing kpt #: 109 total cpu time spent up to now is 129.5 secs Computing kpt #: 110 total cpu time spent up to now is 130.6 secs Computing kpt #: 111 total cpu time spent up to now is 131.7 secs Computing kpt #: 112 total cpu time spent up to now is 132.7 secs Computing kpt #: 113 total cpu time spent up to now is 133.9 secs Computing kpt #: 114 total cpu time spent up to now is 135.0 secs Computing kpt #: 115 total cpu time spent up to now is 136.1 secs Computing kpt #: 116 total cpu time spent up to now is 137.2 secs Computing kpt #: 117 total cpu time spent up to now is 138.2 secs Computing kpt #: 118 total cpu time spent up to now is 139.2 secs Computing kpt #: 119 total cpu time spent up to now is 140.2 secs Computing kpt #: 120 total cpu time spent up to now is 141.2 secs Computing kpt #: 121 total cpu time spent up to now is 142.2 secs Computing kpt #: 122 total cpu time spent up to now is 143.2 secs Computing kpt #: 123 total cpu time spent up to now is 144.2 secs Computing kpt #: 124 total cpu time spent up to now is 145.1 secs Computing kpt #: 125 total cpu time spent up to now is 146.1 secs Computing kpt #: 126 total cpu time spent up to now is 147.1 secs Computing kpt #: 127 total cpu time spent up to now is 148.1 secs Computing kpt #: 128 total cpu time spent up to now is 149.3 secs Computing kpt #: 129 total cpu time spent up to now is 150.3 secs Computing kpt #: 130 total cpu time spent up to now is 151.4 secs Computing kpt #: 131 total cpu time spent up to now is 152.4 secs Computing kpt #: 132 total cpu time spent up to now is 153.5 secs Computing kpt #: 133 total cpu time spent up to now is 154.4 secs Computing kpt #: 134 total cpu time spent up to now is 155.5 secs Computing kpt #: 135 total cpu time spent up to now is 156.6 secs Computing kpt #: 136 total cpu time spent up to now is 157.6 secs Computing kpt #: 137 total cpu time spent up to now is 158.7 secs Computing kpt #: 138 total cpu time spent up to now is 159.8 secs Computing kpt #: 139 total cpu time spent up to now is 160.9 secs Computing kpt #: 140 total cpu time spent up to now is 161.9 secs Computing kpt #: 141 total cpu time spent up to now is 163.0 secs Computing kpt #: 142 total cpu time spent up to now is 164.1 secs Computing kpt #: 143 total cpu time spent up to now is 165.1 secs Computing kpt #: 144 total cpu time spent up to now is 166.2 secs Computing kpt #: 145 total cpu time spent up to now is 167.3 secs Computing kpt #: 146 total cpu time spent up to now is 168.4 secs Computing kpt #: 147 total cpu time spent up to now is 169.5 secs Computing kpt #: 148 total cpu time spent up to now is 170.6 secs Computing kpt #: 149 total cpu time spent up to now is 171.8 secs Computing kpt #: 150 total cpu time spent up to now is 172.9 secs Computing kpt #: 151 total cpu time spent up to now is 174.1 secs Computing kpt #: 152 total cpu time spent up to now is 175.2 secs Computing kpt #: 153 total cpu time spent up to now is 176.4 secs Computing kpt #: 154 total cpu time spent up to now is 177.8 secs Computing kpt #: 155 total cpu time spent up to now is 178.9 secs Computing kpt #: 156 total cpu time spent up to now is 180.6 secs Computing kpt #: 157 total cpu time spent up to now is 181.7 secs Computing kpt #: 158 total cpu time spent up to now is 182.9 secs Computing kpt #: 159 total cpu time spent up to now is 184.2 secs Computing kpt #: 160 total cpu time spent up to now is 185.4 secs Computing kpt #: 161 total cpu time spent up to now is 186.5 secs Computing kpt #: 162 total cpu time spent up to now is 187.7 secs Computing kpt #: 163 total cpu time spent up to now is 188.8 secs Computing kpt #: 164 total cpu time spent up to now is 190.0 secs Computing kpt #: 165 total cpu time spent up to now is 191.1 secs Computing kpt #: 166 total cpu time spent up to now is 192.3 secs Computing kpt #: 167 total cpu time spent up to now is 193.4 secs Computing kpt #: 168 total cpu time spent up to now is 194.6 secs Computing kpt #: 169 total cpu time spent up to now is 195.7 secs Computing kpt #: 170 total cpu time spent up to now is 196.9 secs Computing kpt #: 171 total cpu time spent up to now is 198.0 secs Computing kpt #: 172 total cpu time spent up to now is 199.2 secs Computing kpt #: 173 total cpu time spent up to now is 200.5 secs Computing kpt #: 174 total cpu time spent up to now is 201.7 secs Computing kpt #: 175 total cpu time spent up to now is 202.8 secs Computing kpt #: 176 total cpu time spent up to now is 204.0 secs Computing kpt #: 177 total cpu time spent up to now is 205.2 secs Computing kpt #: 178 total cpu time spent up to now is 206.3 secs Computing kpt #: 179 total cpu time spent up to now is 207.5 secs Computing kpt #: 180 total cpu time spent up to now is 208.7 secs Computing kpt #: 181 total cpu time spent up to now is 210.1 secs Computing kpt #: 182 total cpu time spent up to now is 211.3 secs Computing kpt #: 183 total cpu time spent up to now is 212.7 secs Computing kpt #: 184 total cpu time spent up to now is 214.4 secs Computing kpt #: 185 total cpu time spent up to now is 216.2 secs Computing kpt #: 186 total cpu time spent up to now is 217.4 secs Computing kpt #: 187 total cpu time spent up to now is 219.1 secs Computing kpt #: 188 total cpu time spent up to now is 220.6 secs Computing kpt #: 189 total cpu time spent up to now is 222.3 secs Computing kpt #: 190 total cpu time spent up to now is 223.5 secs Computing kpt #: 191 total cpu time spent up to now is 224.7 secs Computing kpt #: 192 total cpu time spent up to now is 226.1 secs Computing kpt #: 193 total cpu time spent up to now is 227.2 secs Computing kpt #: 194 total cpu time spent up to now is 228.4 secs Computing kpt #: 195 total cpu time spent up to now is 229.6 secs Computing kpt #: 196 total cpu time spent up to now is 230.7 secs Computing kpt #: 197 total cpu time spent up to now is 231.8 secs Computing kpt #: 198 total cpu time spent up to now is 232.9 secs Computing kpt #: 199 total cpu time spent up to now is 234.0 secs Computing kpt #: 200 total cpu time spent up to now is 235.1 secs Computing kpt #: 201 total cpu time spent up to now is 236.2 secs Computing kpt #: 202 total cpu time spent up to now is 237.3 secs Computing kpt #: 203 total cpu time spent up to now is 238.4 secs Computing kpt #: 204 total cpu time spent up to now is 239.5 secs Computing kpt #: 205 total cpu time spent up to now is 240.7 secs Computing kpt #: 206 total cpu time spent up to now is 241.8 secs Computing kpt #: 207 total cpu time spent up to now is 242.9 secs Computing kpt #: 208 total cpu time spent up to now is 244.0 secs Computing kpt #: 209 total cpu time spent up to now is 245.1 secs Computing kpt #: 210 total cpu time spent up to now is 246.2 secs Computing kpt #: 211 total cpu time spent up to now is 247.4 secs Computing kpt #: 212 total cpu time spent up to now is 248.5 secs Computing kpt #: 213 total cpu time spent up to now is 249.6 secs Computing kpt #: 214 total cpu time spent up to now is 250.8 secs Computing kpt #: 215 total cpu time spent up to now is 251.9 secs Computing kpt #: 216 total cpu time spent up to now is 253.0 secs Computing kpt #: 217 total cpu time spent up to now is 254.2 secs Computing kpt #: 218 total cpu time spent up to now is 255.3 secs Computing kpt #: 219 total cpu time spent up to now is 256.5 secs Computing kpt #: 220 total cpu time spent up to now is 257.6 secs Computing kpt #: 221 total cpu time spent up to now is 258.7 secs Computing kpt #: 222 total cpu time spent up to now is 259.9 secs Computing kpt #: 223 total cpu time spent up to now is 261.0 secs Computing kpt #: 224 total cpu time spent up to now is 262.2 secs Computing kpt #: 225 total cpu time spent up to now is 263.4 secs Computing kpt #: 226 total cpu time spent up to now is 264.6 secs Computing kpt #: 227 total cpu time spent up to now is 265.7 secs Computing kpt #: 228 total cpu time spent up to now is 266.8 secs Computing kpt #: 229 total cpu time spent up to now is 268.0 secs Computing kpt #: 230 total cpu time spent up to now is 269.1 secs Computing kpt #: 231 total cpu time spent up to now is 270.2 secs Computing kpt #: 232 total cpu time spent up to now is 271.4 secs Computing kpt #: 233 total cpu time spent up to now is 272.6 secs Computing kpt #: 234 total cpu time spent up to now is 273.8 secs Computing kpt #: 235 total cpu time spent up to now is 275.1 secs Computing kpt #: 236 total cpu time spent up to now is 276.3 secs Computing kpt #: 237 total cpu time spent up to now is 277.4 secs Computing kpt #: 238 total cpu time spent up to now is 278.6 secs Computing kpt #: 239 total cpu time spent up to now is 279.7 secs Computing kpt #: 240 total cpu time spent up to now is 280.9 secs Computing kpt #: 241 total cpu time spent up to now is 282.0 secs Computing kpt #: 242 total cpu time spent up to now is 283.2 secs Computing kpt #: 243 total cpu time spent up to now is 284.3 secs Computing kpt #: 244 total cpu time spent up to now is 285.5 secs Computing kpt #: 245 total cpu time spent up to now is 286.9 secs Computing kpt #: 246 total cpu time spent up to now is 288.1 secs Computing kpt #: 247 total cpu time spent up to now is 289.3 secs Computing kpt #: 248 total cpu time spent up to now is 290.7 secs Computing kpt #: 249 total cpu time spent up to now is 291.9 secs Computing kpt #: 250 total cpu time spent up to now is 293.0 secs Computing kpt #: 251 total cpu time spent up to now is 294.2 secs Computing kpt #: 252 total cpu time spent up to now is 295.3 secs Computing kpt #: 253 total cpu time spent up to now is 296.7 secs Computing kpt #: 254 total cpu time spent up to now is 297.9 secs Computing kpt #: 255 total cpu time spent up to now is 299.1 secs Computing kpt #: 256 total cpu time spent up to now is 300.5 secs Computing kpt #: 257 total cpu time spent up to now is 302.2 secs Computing kpt #: 258 total cpu time spent up to now is 304.4 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.9 secs Computing kpt #: 260 total cpu time spent up to now is 309.2 secs Computing kpt #: 261 total cpu time spent up to now is 311.6 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.1 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.5 secs Computing kpt #: 264 total cpu time spent up to now is 318.5 secs Computing kpt #: 265 total cpu time spent up to now is 319.9 secs Computing kpt #: 266 total cpu time spent up to now is 321.7 secs Computing kpt #: 267 total cpu time spent up to now is 323.3 secs Computing kpt #: 268 total cpu time spent up to now is 324.7 secs Computing kpt #: 269 total cpu time spent up to now is 326.2 secs Computing kpt #: 270 total cpu time spent up to now is 327.6 secs Computing kpt #: 271 total cpu time spent up to now is 329.0 secs Computing kpt #: 272 total cpu time spent up to now is 330.3 secs ethr = 1.67E-08, avg # of iterations = 31.8 total cpu time spent up to now is 330.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -12.6989 -12.6989 -12.1303 -12.1303 0.2241 0.2241 1.1377 1.1377 1.9966 1.9966 1.9966 1.9966 3.1525 3.1525 3.1525 3.1525 7.0027 7.0027 9.2535 9.2535 9.3976 9.3976 9.3976 9.3976 9.7656 9.7656 10.3789 10.3789 10.3789 10.3789 11.3249 11.3249 11.3250 11.3250 11.8765 11.8765 12.7207 12.7207 12.7208 12.7208 13.0427 13.0427 13.0428 13.0428 13.3040 13.3040 13.6354 13.6354 13.7287 13.7287 13.7288 13.7288 14.4215 14.4215 14.4215 14.4215 15.1557 15.1557 15.3068 15.3068 15.5013 15.5013 15.5014 15.5014 15.8602 15.8602 16.1598 16.1598 16.1598 16.1598 17.7387 17.7387 k = 0.0125-0.0072 0.0102 ( 3715 PWs) bands (ev): -12.6987 -12.6987 -12.1305 -12.1305 0.2244 0.2244 1.1365 1.1365 1.9969 1.9969 1.9975 1.9975 3.1517 3.1517 3.1525 3.1525 7.0051 7.0051 9.2546 9.2546 9.3981 9.3981 9.3991 9.3991 9.7676 9.7676 10.3792 10.3792 10.3797 10.3797 11.3230 11.3230 11.3249 11.3249 11.8755 11.8755 12.7186 12.7186 12.7206 12.7206 13.0413 13.0413 13.0414 13.0414 13.3026 13.3026 13.6338 13.6338 13.7278 13.7278 13.7280 13.7280 14.4190 14.4190 14.4290 14.4290 15.1555 15.1555 15.2973 15.2973 15.4915 15.4915 15.4970 15.4970 15.8642 15.8642 16.1596 16.1596 16.1680 16.1680 17.7427 17.7427 k = 0.0250-0.0144 0.0204 ( 3711 PWs) bands (ev): -12.6980 -12.6980 -12.1312 -12.1312 0.2252 0.2252 1.1331 1.1331 1.9979 1.9979 2.0001 2.0001 3.1495 3.1495 3.1525 3.1525 7.0122 7.0122 9.2579 9.2579 9.3998 9.3998 9.4039 9.4039 9.7737 9.7737 10.3802 10.3802 10.3820 10.3820 11.3171 11.3171 11.3246 11.3246 11.8728 11.8728 12.7120 12.7120 12.7201 12.7201 13.0373 13.0373 13.0375 13.0375 13.2986 13.2986 13.6291 13.6291 13.7252 13.7252 13.7257 13.7257 14.4114 14.4114 14.4508 14.4508 15.1540 15.1540 15.2699 15.2699 15.4631 15.4631 15.4862 15.4862 15.8737 15.8737 16.1602 16.1602 16.1913 16.1913 17.7539 17.7539 k = 0.0375-0.0217 0.0306 ( 3711 PWs) bands (ev): -12.6969 -12.6969 -12.1324 -12.1324 0.2265 0.2265 1.1274 1.1274 1.9995 1.9995 2.0044 2.0044 3.1459 3.1459 3.1526 3.1526 7.0241 7.0241 9.2630 9.2630 9.4027 9.4027 9.4117 9.4117 9.7839 9.7839 10.3819 10.3819 10.3860 10.3860 11.3074 11.3074 11.3242 11.3242 11.8684 11.8684 12.7014 12.7014 12.7192 12.7192 13.0305 13.0305 13.0311 13.0311 13.2924 13.2924 13.6212 13.6212 13.7213 13.7213 13.7220 13.7220 14.3992 14.3992 14.4848 14.4848 15.1482 15.1482 15.2266 15.2266 15.4199 15.4199 15.4751 15.4751 15.8826 15.8826 16.1642 16.1642 16.2262 16.2262 17.7700 17.7700 k = 0.0500-0.0289 0.0408 ( 3719 PWs) bands (ev): -12.6954 -12.6954 -12.1340 -12.1340 0.2284 0.2284 1.1196 1.1196 2.0018 2.0018 2.0102 2.0102 3.1409 3.1409 3.1528 3.1528 7.0405 7.0405 9.2699 9.2699 9.4072 9.4072 9.4227 9.4227 9.7982 9.7982 10.3842 10.3842 10.3914 10.3914 11.2938 11.2938 11.3236 11.3236 11.8626 11.8626 12.6871 12.6871 12.7178 12.7178 13.0214 13.0214 13.0224 13.0224 13.2844 13.2844 13.6102 13.6102 13.7164 13.7164 13.7167 13.7167 14.3825 14.3825 14.5271 14.5271 15.1347 15.1347 15.1715 15.1715 15.3657 15.3657 15.4704 15.4704 15.8844 15.8844 16.1753 16.1753 16.2691 16.2691 17.7880 17.7880 k = 0.0625-0.0361 0.0510 ( 3727 PWs) bands (ev): -12.6934 -12.6934 -12.1361 -12.1361 0.2307 0.2307 1.1098 1.1098 2.0046 2.0046 2.0175 2.0175 3.1348 3.1348 3.1530 3.1530 7.0614 7.0614 9.2778 9.2778 9.4136 9.4136 9.4367 9.4367 9.8164 9.8164 10.3871 10.3871 10.3985 10.3985 11.2764 11.2764 11.3229 11.3229 11.8557 11.8557 12.6697 12.6697 12.7156 12.7156 13.0100 13.0100 13.0116 13.0116 13.2749 13.2749 13.5961 13.5961 13.7100 13.7100 13.7109 13.7109 14.3619 14.3619 14.5719 14.5719 15.1106 15.1106 15.1106 15.1106 15.3042 15.3042 15.4769 15.4769 15.8743 15.8743 16.1957 16.1957 16.3169 16.3169 17.8050 17.8050 k = 0.0750-0.0433 0.0612 ( 3727 PWs) bands (ev): -12.6910 -12.6910 -12.1387 -12.1387 0.2335 0.2335 1.0982 1.0982 2.0080 2.0080 2.0259 2.0259 3.1276 3.1276 3.1533 3.1533 7.0867 7.0867 9.2863 9.2863 9.4226 9.4226 9.4537 9.4537 9.8384 9.8384 10.3907 10.3907 10.4070 10.4070 11.2555 11.2555 11.3221 11.3221 11.8481 11.8481 12.6497 12.6497 12.7124 12.7124 12.9967 12.9967 12.9988 12.9988 13.2644 13.2644 13.5788 13.5788 13.7017 13.7017 13.7051 13.7051 14.3378 14.3378 14.6084 14.6084 15.0538 15.0538 15.0761 15.0761 15.2391 15.2391 15.4959 15.4959 15.8517 15.8517 16.2251 16.2251 16.3673 16.3673 17.8188 17.8188 k = 0.0875-0.0505 0.0714 ( 3723 PWs) bands (ev): -12.6882 -12.6882 -12.1417 -12.1417 0.2369 0.2369 1.0849 1.0849 2.0119 2.0119 2.0354 2.0354 3.1195 3.1195 3.1538 3.1538 7.1162 7.1162 9.2946 9.2946 9.4346 9.4346 9.4737 9.4737 9.8643 9.8643 10.3948 10.3948 10.4170 10.4170 11.2313 11.2313 11.3212 11.3212 11.8400 11.8400 12.6277 12.6277 12.7079 12.7079 12.9818 12.9818 12.9842 12.9842 13.2529 13.2529 13.5584 13.5584 13.6919 13.6919 13.6991 13.6991 14.3105 14.3105 14.6190 14.6190 15.0146 15.0146 15.0333 15.0333 15.1769 15.1769 15.5258 15.5258 15.8188 15.8188 16.2612 16.2612 16.4188 16.4188 17.8284 17.8284 k = 0.1000-0.0577 0.0816 ( 3727 PWs) bands (ev): -12.6849 -12.6849 -12.1451 -12.1451 0.2406 0.2406 1.0702 1.0702 2.0163 2.0163 2.0457 2.0457 3.1108 3.1108 3.1543 3.1543 7.1497 7.1497 9.3021 9.3021 9.4504 9.4504 9.4965 9.4965 9.8939 9.8939 10.3994 10.3994 10.4284 10.4284 11.2042 11.2042 11.3203 11.3203 11.8319 11.8319 12.6041 12.6041 12.7017 12.7017 12.9659 12.9659 12.9678 12.9678 13.2405 13.2405 13.5350 13.5350 13.6806 13.6806 13.6929 13.6929 14.2804 14.2804 14.5881 14.5881 14.9848 14.9848 14.9910 14.9910 15.1370 15.1370 15.5631 15.5631 15.7791 15.7791 16.3017 16.3017 16.4704 16.4704 17.8338 17.8338 k = 0.1125-0.0650 0.0919 ( 3715 PWs) bands (ev): -12.6812 -12.6812 -12.1490 -12.1490 0.2448 0.2448 1.0541 1.0541 2.0211 2.0211 2.0565 2.0565 3.1016 3.1016 3.1550 3.1550 7.1870 7.1870 9.3084 9.3084 9.4701 9.4701 9.5222 9.5222 9.9271 9.9271 10.4045 10.4045 10.4413 10.4413 11.1747 11.1747 11.3194 11.3194 11.8240 11.8240 12.5792 12.5792 12.6933 12.6933 12.9495 12.9495 12.9497 12.9497 13.2270 13.2270 13.5085 13.5085 13.6675 13.6675 13.6867 13.6867 14.2477 14.2477 14.5199 14.5199 14.9327 14.9327 14.9463 14.9463 15.1533 15.1533 15.6015 15.6015 15.7396 15.7396 16.3445 16.3445 16.5214 16.5214 17.8357 17.8357 k = 0.1250-0.0722 0.1021 ( 3707 PWs) bands (ev): -12.6771 -12.6771 -12.1533 -12.1533 0.2494 0.2494 1.0369 1.0369 2.0264 2.0264 2.0677 2.0677 3.0922 3.0922 3.1559 3.1559 7.2280 7.2280 9.3131 9.3131 9.4938 9.4938 9.5506 9.5506 9.9636 9.9636 10.4100 10.4100 10.4554 10.4554 11.1433 11.1433 11.3185 11.3185 11.8165 11.8165 12.5533 12.5533 12.6821 12.6821 12.9297 12.9297 12.9332 12.9332 13.2123 13.2123 13.4789 13.4789 13.6526 13.6526 13.6804 13.6804 14.2126 14.2126 14.4297 14.4297 14.8770 14.8770 14.8786 14.8786 15.2155 15.2155 15.6178 15.6178 15.7240 15.7240 16.3885 16.3885 16.5713 16.5713 17.8348 17.8348 k = 0.1375-0.0794 0.1123 ( 3707 PWs) bands (ev): -12.6726 -12.6726 -12.1581 -12.1581 0.2544 0.2544 1.0187 1.0187 2.0319 2.0319 2.0790 2.0790 3.0829 3.0829 3.1570 3.1570 7.2724 7.2724 9.3163 9.3163 9.5215 9.5215 9.5816 9.5816 10.0034 10.0034 10.4158 10.4158 10.4708 10.4708 11.1107 11.1107 11.3177 11.3177 11.8096 11.8096 12.5266 12.5266 12.6677 12.6677 12.9080 12.9080 12.9174 12.9174 13.1958 13.1958 13.4463 13.4463 13.6358 13.6358 13.6740 13.6740 14.1753 14.1753 14.3284 14.3284 14.7980 14.7980 14.8237 14.8237 15.2986 15.2986 15.5865 15.5865 15.7582 15.7582 16.4328 16.4328 16.6197 16.6197 17.8321 17.8321 k = 0.1500-0.0866 0.1225 ( 3711 PWs) bands (ev): -12.6677 -12.6677 -12.1632 -12.1632 0.2597 0.2597 0.9997 0.9997 2.0378 2.0378 2.0903 2.0903 3.0737 3.0737 3.1583 3.1583 7.3200 7.3200 9.3182 9.3182 9.5529 9.5529 9.6152 9.6152 10.0463 10.0463 10.4220 10.4220 10.4874 10.4874 11.0776 11.0776 11.3170 11.3170 11.8035 11.8035 12.4990 12.4990 12.6495 12.6495 12.8846 12.8846 12.9025 12.9025 13.1773 13.1773 13.4107 13.4107 13.6168 13.6168 13.6674 13.6674 14.1361 14.1361 14.2225 14.2225 14.7148 14.7148 14.7688 14.7688 15.3917 15.3917 15.5358 15.5358 15.8151 15.8151 16.4769 16.4769 16.6665 16.6665 17.8285 17.8285 k = 0.1625-0.0938 0.1327 ( 3703 PWs) bands (ev): -12.6625 -12.6625 -12.1688 -12.1688 0.2654 0.2654 0.9801 0.9801 2.0439 2.0439 2.1013 2.1013 3.0651 3.0651 3.1598 3.1598 7.3706 7.3706 9.3190 9.3190 9.5875 9.5875 9.6511 9.6511 10.0920 10.0920 10.4284 10.4284 10.5049 10.5049 11.0447 11.0447 11.3165 11.3165 11.7981 11.7981 12.4704 12.4704 12.6275 12.6275 12.8593 12.8593 12.8886 12.8886 13.1560 13.1560 13.3722 13.3722 13.5955 13.5955 13.6606 13.6606 14.0951 14.0951 14.1157 14.1157 14.6295 14.6295 14.7143 14.7143 15.4809 15.4809 15.4900 15.4900 15.8799 15.8799 16.5205 16.5205 16.7115 16.7115 17.8248 17.8248 k = 0.1750-0.1010 0.1429 ( 3695 PWs) bands (ev): -12.6568 -12.6568 -12.1747 -12.1747 0.2713 0.2713 0.9599 0.9599 2.0501 2.0501 2.1118 2.1118 3.0571 3.0571 3.1615 3.1615 7.4241 7.4241 9.3187 9.3187 9.6252 9.6252 9.6894 9.6894 10.1403 10.1403 10.4350 10.4350 10.5234 10.5234 11.0128 11.0128 11.3163 11.3163 11.7934 11.7934 12.4408 12.4408 12.6016 12.6016 12.8322 12.8322 12.8757 12.8757 13.1313 13.1313 13.3310 13.3310 13.5716 13.5716 13.6533 13.6533 14.0111 14.0111 14.0527 14.0527 14.5431 14.5431 14.6607 14.6607 15.4262 15.4262 15.5909 15.5909 15.9495 15.9495 16.5635 16.5635 16.7547 16.7547 17.8217 17.8217 k = 0.1875-0.1083 0.1531 ( 3699 PWs) bands (ev): -12.6508 -12.6508 -12.1810 -12.1810 0.2776 0.2776 0.9394 0.9394 2.0564 2.0564 2.1217 2.1217 3.0501 3.0501 3.1635 3.1635 7.4801 7.4801 9.3177 9.3177 9.6655 9.6655 9.7297 9.7297 10.1910 10.1910 10.4417 10.4417 10.5426 10.5426 10.9825 10.9825 11.3164 11.3164 11.7896 11.7896 12.4099 12.4099 12.5719 12.5719 12.8033 12.8033 12.8633 12.8633 13.1020 13.1020 13.2871 13.2871 13.5450 13.5450 13.6452 13.6452 13.9114 13.9114 14.0090 14.0090 14.4561 14.4561 14.6082 14.6082 15.3738 15.3738 15.6925 15.6925 16.0224 16.0224 16.6058 16.6058 16.7961 16.7961 17.8198 17.8198 k = 0.2000-0.1155 0.1633 ( 3691 PWs) bands (ev): -12.6444 -12.6444 -12.1876 -12.1876 0.2840 0.2840 0.9185 0.9185 2.0628 2.0628 2.1309 2.1309 3.0441 3.0441 3.1657 3.1657 7.5385 7.5385 9.3159 9.3159 9.7083 9.7083 9.7721 9.7721 10.2438 10.2438 10.4484 10.4484 10.5621 10.5621 10.9546 10.9546 11.3169 11.3169 11.7865 11.7865 12.3774 12.3774 12.5388 12.5388 12.7727 12.7727 12.8508 12.8508 13.0673 13.0673 13.2409 13.2409 13.5155 13.5155 13.6352 13.6352 13.8198 13.8198 13.9645 13.9645 14.3690 14.3690 14.5569 14.5569 15.3254 15.3254 15.7936 15.7936 16.0980 16.0980 16.6477 16.6477 16.8356 16.8356 17.8195 17.8195 k = 0.2125-0.1227 0.1735 ( 3699 PWs) bands (ev): -12.6377 -12.6377 -12.1947 -12.1947 0.2907 0.2907 0.8975 0.8975 2.0692 2.0692 2.1392 2.1392 3.0393 3.0393 3.1682 3.1682 7.5992 7.5992 9.3136 9.3136 9.7532 9.7532 9.8164 9.8164 10.2983 10.2983 10.4552 10.4552 10.5818 10.5818 10.9299 10.9299 11.3179 11.3179 11.7841 11.7841 12.3431 12.3431 12.5026 12.5026 12.7405 12.7405 12.8375 12.8375 13.0260 13.0260 13.1926 13.1926 13.4832 13.4832 13.6199 13.6199 13.7416 13.7416 13.9193 13.9193 14.2820 14.2820 14.5069 14.5069 15.2821 15.2821 15.8930 15.8930 16.1757 16.1757 16.6893 16.6893 16.8733 16.8733 17.8213 17.8213 k = 0.2250-0.1299 0.1837 ( 3707 PWs) bands (ev): -12.6307 -12.6307 -12.2020 -12.2020 0.2977 0.2977 0.8765 0.8765 2.0754 2.0754 2.1465 2.1465 3.0359 3.0359 3.1709 3.1709 7.6618 7.6618 9.3108 9.3108 9.8001 9.8001 9.8623 9.8623 10.3542 10.3542 10.4621 10.4621 10.6011 10.6011 10.9090 10.9090 11.3194 11.3194 11.7822 11.7822 12.3067 12.3067 12.4636 12.4636 12.7067 12.7067 12.8227 12.8227 12.9776 12.9776 13.1426 13.1426 13.4482 13.4482 13.5914 13.5914 13.6863 13.6863 13.8738 13.8738 14.1956 14.1956 14.4583 14.4583 15.2451 15.2451 15.9898 15.9898 16.2550 16.2550 16.7308 16.7308 16.9092 16.9092 17.8255 17.8255 k = 0.2375-0.1371 0.1939 ( 3707 PWs) bands (ev): -12.6233 -12.6233 -12.2097 -12.2097 0.3048 0.3048 0.8554 0.8554 2.0816 2.0816 2.1528 2.1528 3.0339 3.0339 3.1737 3.1737 7.7264 7.7264 9.3078 9.3078 9.8486 9.8486 9.9097 9.9097 10.4103 10.4103 10.4698 10.4698 10.6194 10.6194 10.8928 10.8928 11.3215 11.3215 11.7807 11.7807 12.2678 12.2678 12.4222 12.4222 12.6716 12.6716 12.8053 12.8053 12.9219 12.9219 13.0912 13.0912 13.4108 13.4108 13.5464 13.5464 13.6578 13.6578 13.8282 13.8282 14.1101 14.1101 14.4110 14.4110 15.2153 15.2153 16.0830 16.0830 16.3354 16.3354 16.7726 16.7726 16.9432 16.9432 17.8326 17.8326 k = 0.2500-0.1443 0.2041 ( 3727 PWs) bands (ev): -12.6156 -12.6156 -12.2177 -12.2177 0.3120 0.3120 0.8345 0.8345 2.0875 2.0875 2.1580 2.1580 3.0334 3.0334 3.1767 3.1767 7.7926 7.7926 9.3045 9.3045 9.8986 9.8986 9.9583 9.9583 10.4584 10.4584 10.4862 10.4862 10.6361 10.6361 10.8821 10.8821 11.3243 11.3243 11.7794 11.7794 12.2263 12.2263 12.3787 12.3787 12.6354 12.6354 12.7845 12.7845 12.8599 12.8599 13.0390 13.0390 13.3717 13.3717 13.4977 13.4977 13.6431 13.6431 13.7828 13.7828 14.0259 14.0259 14.3651 14.3651 15.1933 15.1933 16.1719 16.1719 16.4163 16.4163 16.8153 16.8153 16.9754 16.9754 17.8426 17.8426 k = 0.2625-0.1516 0.2143 ( 3699 PWs) bands (ev): -12.6077 -12.6077 -12.2259 -12.2259 0.3195 0.3195 0.8137 0.8137 2.0932 2.0932 2.1623 2.1623 3.0343 3.0343 3.1799 3.1799 7.8604 7.8604 9.3012 9.3012 9.9497 9.9497 10.0080 10.0080 10.4742 10.4742 10.5352 10.5352 10.6506 10.6506 10.8776 10.8776 11.3278 11.3278 11.7779 11.7779 12.1819 12.1819 12.3332 12.3332 12.5982 12.5982 12.7593 12.7593 12.7935 12.7935 12.9866 12.9866 13.3315 13.3315 13.4536 13.4536 13.6325 13.6325 13.7378 13.7378 13.9437 13.9437 14.3205 14.3205 15.1797 15.1797 16.2556 16.2556 16.4968 16.4968 16.8596 16.8596 17.0056 17.0056 17.8559 17.8559 k = 0.2750-0.1588 0.2245 ( 3691 PWs) bands (ev): -12.5994 -12.5994 -12.2345 -12.2345 0.3271 0.3271 0.7931 0.7931 2.0987 2.0987 2.1655 2.1655 3.0367 3.0367 3.1831 3.1831 7.9295 7.9295 9.2980 9.2980 10.0016 10.0016 10.0585 10.0585 10.4809 10.4809 10.5934 10.5934 10.6623 10.6623 10.8796 10.8796 11.3321 11.3321 11.7755 11.7755 12.1349 12.1349 12.2861 12.2861 12.5604 12.5604 12.7247 12.7247 12.7289 12.7289 12.9343 12.9343 13.2911 13.2911 13.4154 13.4154 13.6224 13.6224 13.6933 13.6933 13.8648 13.8648 14.2773 14.2773 15.1747 15.1747 16.3334 16.3334 16.5759 16.5759 16.9064 16.9064 17.0337 17.0337 17.8727 17.8727 k = 0.2875-0.1660 0.2347 ( 3699 PWs) bands (ev): -12.5909 -12.5909 -12.2433 -12.2433 0.3348 0.3348 0.7729 0.7729 2.1039 2.1039 2.1677 2.1677 3.0404 3.0404 3.1863 3.1863 7.9997 7.9997 9.2949 9.2949 10.0540 10.0540 10.1094 10.1094 10.4863 10.4863 10.6528 10.6528 10.6715 10.6715 10.8880 10.8880 11.3372 11.3372 11.7714 11.7714 12.0860 12.0860 12.2375 12.2375 12.5222 12.5222 12.6559 12.6559 12.6926 12.6926 12.8827 12.8827 13.2514 13.2514 13.3824 13.3824 13.6093 13.6093 13.6497 13.6497 13.7917 13.7917 14.2354 14.2354 15.1785 15.1785 16.4045 16.4045 16.6521 16.6521 16.9571 16.9571 17.0595 17.0595 17.8931 17.8931 k = 0.3000-0.1732 0.2449 ( 3691 PWs) bands (ev): -12.5821 -12.5821 -12.2523 -12.2523 0.3427 0.3427 0.7529 0.7529 2.1087 2.1087 2.1691 2.1691 3.0455 3.0455 3.1895 3.1895 8.0710 8.0710 9.2921 9.2921 10.1066 10.1066 10.1604 10.1604 10.4912 10.4912 10.6788 10.6788 10.7122 10.7122 10.9019 10.9019 11.3429 11.3429 11.7638 11.7638 12.0367 12.0367 12.1879 12.1879 12.4841 12.4841 12.5889 12.5889 12.6505 12.6505 12.8320 12.8320 13.2129 13.2129 13.3532 13.3532 13.5878 13.5878 13.6071 13.6071 13.7303 13.7303 14.1948 14.1948 15.1910 15.1910 16.4684 16.4684 16.7238 16.7238 17.0132 17.0132 17.0828 17.0828 17.9173 17.9173 k = 0.3125-0.1804 0.2552 ( 3695 PWs) bands (ev): -12.5731 -12.5731 -12.2616 -12.2616 0.3507 0.3507 0.7333 0.7333 2.1132 2.1132 2.1697 2.1697 3.0516 3.0516 3.1925 3.1925 8.1431 8.1431 9.2895 9.2895 10.1589 10.1589 10.2108 10.2108 10.4960 10.4960 10.6851 10.6851 10.7713 10.7713 10.9202 10.9202 11.3494 11.3494 11.7500 11.7500 11.9901 11.9901 12.1375 12.1375 12.4463 12.4463 12.5250 12.5250 12.6030 12.6030 12.7821 12.7821 13.1759 13.1759 13.3264 13.3264 13.5500 13.5500 13.5658 13.5658 13.6889 13.6889 14.1556 14.1556 15.2121 15.2121 16.5244 16.5244 16.7893 16.7893 17.0760 17.0760 17.1035 17.1035 17.9453 17.9453 k = 0.3250-0.1876 0.2654 ( 3703 PWs) bands (ev): -12.5638 -12.5638 -12.2711 -12.2711 0.3589 0.3589 0.7141 0.7141 2.1174 2.1174 2.1697 2.1697 3.0588 3.0588 3.1954 3.1954 8.2157 8.2157 9.2872 9.2872 10.2104 10.2104 10.2601 10.2601 10.5013 10.5013 10.6914 10.6914 10.8298 10.8298 10.9416 10.9416 11.3562 11.3562 11.7265 11.7265 11.9503 11.9503 12.0869 12.0869 12.4095 12.4095 12.4650 12.4650 12.5510 12.5510 12.7331 12.7331 13.1405 13.1405 13.2998 13.2998 13.4973 13.4973 13.5263 13.5263 13.6676 13.6676 14.1177 14.1177 15.2415 15.2415 16.5718 16.5718 16.8476 16.8476 17.1214 17.1214 17.1464 17.1464 17.9771 17.9771 k = 0.3375-0.1949 0.2756 ( 3707 PWs) bands (ev): -12.5544 -12.5544 -12.2809 -12.2809 0.3672 0.3672 0.6954 0.6954 2.1212 2.1212 2.1691 2.1691 3.0668 3.0668 3.1980 3.1980 8.2888 8.2888 9.2851 9.2851 10.2606 10.2606 10.3069 10.3069 10.5079 10.5079 10.6984 10.6984 10.8872 10.8872 10.9650 10.9650 11.3633 11.3633 11.6909 11.6909 11.9206 11.9206 12.0366 12.0366 12.3740 12.3740 12.4094 12.4094 12.4957 12.4957 12.6846 12.6846 13.1062 13.1062 13.2708 13.2708 13.4409 13.4409 13.4890 13.4890 13.6576 13.6576 14.0811 14.0811 15.2788 15.2788 16.6101 16.6101 16.8988 16.8988 17.1367 17.1367 17.2241 17.2241 18.0127 18.0127 k = 0.3500-0.2021 0.2858 ( 3707 PWs) bands (ev): -12.5447 -12.5447 -12.2907 -12.2907 0.3757 0.3757 0.6771 0.6771 2.1247 2.1247 2.1680 2.1680 3.0755 3.0755 3.2003 3.2003 8.3620 8.3620 9.2831 9.2831 10.3088 10.3088 10.3496 10.3496 10.5173 10.5173 10.7067 10.7067 10.9434 10.9434 10.9895 10.9895 11.3702 11.3702 11.6445 11.6445 11.9006 11.9006 11.9873 11.9873 12.3404 12.3404 12.3584 12.3584 12.4385 12.4385 12.6370 12.6370 13.0727 13.0727 13.2353 13.2353 13.3903 13.3903 13.4542 13.4542 13.6532 13.6532 14.0460 14.0460 15.3236 15.3236 16.6385 16.6385 16.9436 16.9436 17.1496 17.1496 17.3080 17.3080 18.0518 18.0518 k = 0.3625-0.2093 0.2960 ( 3695 PWs) bands (ev): -12.5349 -12.5349 -12.3008 -12.3008 0.3844 0.3844 0.6593 0.6593 2.1278 2.1278 2.1666 2.1666 3.0848 3.0848 3.2023 3.2023 8.4350 8.4350 9.2809 9.2809 10.3541 10.3541 10.3854 10.3854 10.5321 10.5321 10.7167 10.7167 10.9980 10.9980 11.0141 11.0141 11.3761 11.3761 11.5921 11.5921 11.8870 11.8870 11.9399 11.9399 12.3077 12.3077 12.3135 12.3135 12.3805 12.3805 12.5903 12.5903 13.0393 13.0393 13.1903 13.1903 13.3512 13.3512 13.4222 13.4222 13.6518 13.6518 14.0122 14.0122 15.3754 15.3754 16.6566 16.6566 16.9830 16.9830 17.1604 17.1604 17.3969 17.3969 18.0940 18.0940 k = 0.3750-0.2165 0.3062 ( 3703 PWs) bands (ev): -12.5249 -12.5249 -12.3110 -12.3110 0.3932 0.3932 0.6420 0.6420 2.1306 2.1306 2.1649 2.1649 3.0944 3.0944 3.2037 3.2037 8.5076 8.5076 9.2782 9.2782 10.3956 10.3956 10.4118 10.4118 10.5544 10.5544 10.7285 10.7285 11.0379 11.0379 11.0508 11.0508 11.3803 11.3803 11.5387 11.5387 11.8759 11.8759 11.8955 11.8955 12.2679 12.2679 12.2835 12.2835 12.3230 12.3230 12.5450 12.5450 13.0059 13.0059 13.1369 13.1369 13.3237 13.3237 13.3935 13.3935 13.6526 13.6526 13.9798 13.9798 15.4336 15.4336 16.6638 16.6638 17.0180 17.0180 17.1696 17.1696 17.4895 17.4895 18.1389 18.1389 k = 0.3875-0.2237 0.3164 ( 3712 PWs) bands (ev): -12.5147 -12.5147 -12.3214 -12.3214 0.4023 0.4023 0.6252 0.6252 2.1331 2.1331 2.1631 2.1631 3.1042 3.1042 3.2046 3.2046 8.5794 8.5794 9.2748 9.2748 10.4286 10.4286 10.4321 10.4321 10.5844 10.5844 10.7422 10.7422 11.0600 11.0600 11.1015 11.1015 11.3818 11.3818 11.4887 11.4887 11.8553 11.8553 11.8646 11.8646 12.2298 12.2298 12.2603 12.2603 12.2673 12.2673 12.5013 12.5013 12.9721 12.9721 13.0792 13.0792 13.3044 13.3044 13.3680 13.3680 13.6550 13.6550 13.9489 13.9489 15.4976 15.4976 16.6599 16.6599 17.0491 17.0491 17.1775 17.1775 17.5851 17.5851 18.1857 18.1857 k = 0.4000-0.2309 0.3266 ( 3712 PWs) bands (ev): -12.5044 -12.5044 -12.3319 -12.3319 0.4116 0.4116 0.6089 0.6089 2.1354 2.1354 2.1612 2.1612 3.1141 3.1141 3.2049 3.2049 8.6501 8.6501 9.2700 9.2700 10.4384 10.4384 10.4626 10.4626 10.6191 10.6191 10.7576 10.7576 11.0794 11.0794 11.1494 11.1494 11.3796 11.3796 11.4458 11.4458 11.8201 11.8201 11.8513 11.8513 12.1955 12.1955 12.2146 12.2146 12.2422 12.2422 12.4597 12.4597 12.9382 12.9382 13.0208 13.0208 13.2904 13.2904 13.3458 13.3458 13.6589 13.6589 13.9195 13.9195 15.5666 15.5666 16.6449 16.6449 17.0768 17.0768 17.1844 17.1844 17.6828 17.6828 18.2336 18.2336 k = 0.4125-0.2382 0.3368 ( 3712 PWs) bands (ev): -12.4939 -12.4939 -12.3425 -12.3425 0.4211 0.4211 0.5932 0.5932 2.1374 2.1374 2.1593 2.1593 3.1239 3.1239 3.2046 3.2046 8.7191 8.7191 9.2633 9.2633 10.4442 10.4442 10.4862 10.4862 10.6554 10.6554 10.7742 10.7742 11.0950 11.0950 11.1937 11.1937 11.3734 11.3734 11.4133 11.4133 11.7904 11.7904 11.8348 11.8348 12.1652 12.1652 12.1666 12.1666 12.2294 12.2294 12.4205 12.4205 12.9046 12.9046 12.9644 12.9644 13.2799 13.2799 13.3267 13.3267 13.6642 13.6642 13.8916 13.8916 15.6400 15.6400 16.6191 16.6191 17.1014 17.1014 17.1904 17.1904 17.7822 17.7822 18.2816 18.2816 k = 0.4250-0.2454 0.3470 ( 3704 PWs) bands (ev): -12.4833 -12.4833 -12.3532 -12.3532 0.4309 0.4309 0.5779 0.5779 2.1391 2.1391 2.1574 2.1574 3.1335 3.1335 3.2036 3.2036 8.7859 8.7859 9.2541 9.2541 10.4481 10.4481 10.5024 10.5024 10.6911 10.6911 10.7910 10.7910 11.1066 11.1066 11.2322 11.2322 11.3647 11.3647 11.3932 11.3932 11.7659 11.7659 11.8149 11.8149 12.1247 12.1247 12.1388 12.1388 12.2218 12.2218 12.3841 12.3841 12.8718 12.8718 12.9118 12.9118 13.2720 13.2720 13.3105 13.3105 13.6708 13.6708 13.8653 13.8653 15.7170 15.7170 16.5831 16.5831 17.1229 17.1229 17.1955 17.1955 17.8828 17.8828 18.3284 18.3284 k = 0.4375-0.2526 0.3572 ( 3720 PWs) bands (ev): -12.4727 -12.4727 -12.3639 -12.3639 0.4410 0.4410 0.5632 0.5632 2.1408 2.1408 2.1556 2.1556 3.1428 3.1428 3.2018 3.2018 8.8501 8.8501 9.2418 9.2418 10.4516 10.4516 10.5111 10.5111 10.7245 10.7245 10.8068 10.8068 11.1151 11.1151 11.2593 11.2593 11.3591 11.3591 11.3857 11.3857 11.7453 11.7453 11.7922 11.7922 12.0909 12.0909 12.1161 12.1161 12.2186 12.2186 12.3510 12.3510 12.8407 12.8407 12.8645 12.8645 13.2661 13.2661 13.2969 13.2969 13.6789 13.6789 13.8405 13.8405 15.7968 15.7968 16.5376 16.5376 17.1417 17.1417 17.1996 17.1996 17.9843 17.9843 18.3725 18.3725 k = 0.4500-0.2598 0.3674 ( 3724 PWs) bands (ev): -12.4620 -12.4620 -12.3748 -12.3748 0.4515 0.4515 0.5489 0.5489 2.1422 2.1422 2.1538 2.1538 3.1517 3.1517 3.1993 3.1993 8.9110 8.9110 9.2255 9.2255 10.4555 10.4555 10.5131 10.5131 10.7547 10.7547 10.8202 10.8202 11.1231 11.1231 11.2655 11.2655 11.3668 11.3668 11.3887 11.3887 11.7268 11.7268 11.7675 11.7675 12.0663 12.0663 12.0970 12.0970 12.2190 12.2190 12.3215 12.3215 12.8123 12.8123 12.8240 12.8240 13.2620 13.2620 13.2858 13.2858 13.6883 13.6883 13.8173 13.8173 15.8785 15.8785 16.4838 16.4838 17.1577 17.1577 17.2024 17.2024 18.0860 18.0860 18.4122 18.4122 k = 0.4625-0.2670 0.3776 ( 3716 PWs) bands (ev): -12.4511 -12.4511 -12.3856 -12.3856 0.4622 0.4622 0.5352 0.5352 2.1436 2.1436 2.1521 2.1521 3.1601 3.1601 3.1960 3.1960 8.9681 8.9681 9.2047 9.2047 10.4604 10.4604 10.5097 10.5097 10.7809 10.7809 10.8300 10.8300 11.1328 11.1328 11.2523 11.2523 11.3867 11.3867 11.3986 11.3986 11.7100 11.7100 11.7425 11.7425 12.0512 12.0512 12.0811 12.0811 12.2220 12.2220 12.2960 12.2960 12.7878 12.7878 12.7916 12.7916 13.2594 13.2594 13.2768 13.2768 13.6991 13.6991 13.7958 13.7958 15.9612 15.9612 16.4225 16.4225 17.1712 17.1712 17.2037 17.2037 18.1871 18.1871 18.4453 18.4453 k = 0.4750-0.2742 0.3878 ( 3708 PWs) bands (ev): -12.4403 -12.4403 -12.3966 -12.3966 0.4734 0.4734 0.5219 0.5219 2.1450 2.1450 2.1506 2.1506 3.1679 3.1679 3.1919 3.1919 9.0207 9.0207 9.1789 9.1789 10.4667 10.4667 10.5026 10.5026 10.8025 10.8025 10.8352 10.8352 11.1460 11.1460 11.2307 11.2307 11.4075 11.4075 11.4112 11.4112 11.6961 11.6961 11.7192 11.7192 12.0447 12.0447 12.0681 12.0681 12.2272 12.2272 12.2747 12.2747 12.7682 12.7682 12.7684 12.7684 13.2584 13.2584 13.2698 13.2698 13.7114 13.7114 13.7758 13.7758 16.0439 16.0439 16.3550 16.3550 17.1822 17.1822 17.2034 17.2034 18.2857 18.2857 18.4681 18.4681 k = 0.4875-0.2815 0.3980 ( 3700 PWs) bands (ev): -12.4294 -12.4294 -12.4075 -12.4075 0.4849 0.4849 0.5091 0.5091 2.1463 2.1463 2.1491 2.1491 3.1750 3.1750 3.1870 3.1870 9.0684 9.0684 9.1476 9.1476 10.4746 10.4746 10.4934 10.4934 10.8189 10.8189 10.8353 10.8353 11.1632 11.1632 11.2069 11.2069 11.4220 11.4220 11.4222 11.4222 11.6882 11.6882 11.7005 11.7005 12.0449 12.0449 12.0576 12.0576 12.2345 12.2345 12.2576 12.2576 12.7546 12.7546 12.7555 12.7555 13.2589 13.2589 13.2645 13.2645 13.7252 13.7252 13.7574 13.7574 16.1257 16.1257 16.2823 16.2823 17.1907 17.1907 17.2012 17.2012 18.3768 18.3768 18.4735 18.4735 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -12.4184 -12.4184 -12.4184 -12.4184 0.4968 0.4968 0.4968 0.4968 2.1477 2.1477 2.1477 2.1477 3.1814 3.1814 3.1814 3.1814 9.1108 9.1108 9.1108 9.1108 10.4837 10.4837 10.4838 10.4838 10.8298 10.8298 10.8299 10.8299 11.1837 11.1837 11.1838 11.1838 11.4268 11.4268 11.4269 11.4269 11.6894 11.6894 11.6894 11.6894 12.0496 12.0496 12.0497 12.0497 12.2444 12.2444 12.2445 12.2445 12.7505 12.7505 12.7506 12.7506 13.2609 13.2609 13.2610 13.2610 13.7405 13.7405 13.7406 13.7406 16.2055 16.2055 16.2055 16.2055 17.1970 17.1970 17.1971 17.1971 18.4457 18.4457 18.4457 18.4457 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -12.4184 -12.4184 -12.4184 -12.4184 0.4968 0.4968 0.4968 0.4968 2.1477 2.1477 2.1477 2.1477 3.1814 3.1814 3.1814 3.1814 9.1108 9.1108 9.1108 9.1108 10.4837 10.4837 10.4838 10.4838 10.8298 10.8298 10.8299 10.8299 11.1837 11.1837 11.1838 11.1838 11.4268 11.4268 11.4269 11.4269 11.6894 11.6894 11.6894 11.6894 12.0496 12.0496 12.0497 12.0497 12.2444 12.2444 12.2445 12.2445 12.7505 12.7505 12.7506 12.7506 13.2609 13.2609 13.2610 13.2610 13.7405 13.7405 13.7406 13.7406 16.2055 16.2055 16.2055 16.2055 17.1970 17.1970 17.1971 17.1971 18.4457 18.4457 18.4457 18.4457 k = 0.5000-0.2742 0.4185 ( 3700 PWs) bands (ev): -12.4184 -12.4184 -12.4184 -12.4184 0.4894 0.4894 0.5041 0.5041 2.1246 2.1246 2.1715 2.1715 3.1652 3.1652 3.1972 3.1972 9.1094 9.1094 9.1137 9.1137 10.4776 10.4776 10.4894 10.4894 10.8237 10.8237 10.8318 10.8318 11.1747 11.1747 11.1923 11.1923 11.4046 11.4046 11.4486 11.4486 11.6773 11.6773 11.6980 11.6980 12.0320 12.0320 12.0720 12.0720 12.2288 12.2288 12.2599 12.2599 12.7365 12.7365 12.7695 12.7695 13.2478 13.2478 13.2741 13.2741 13.7318 13.7318 13.7497 13.7497 16.1996 16.1996 16.2038 16.2038 17.1988 17.1988 17.2018 17.2018 18.4427 18.4427 18.4498 18.4498 k = 0.5000-0.2598 0.4287 ( 3712 PWs) bands (ev): -12.4185 -12.4185 -12.4184 -12.4184 0.4819 0.4819 0.5112 0.5112 2.1023 2.1023 2.1960 2.1960 3.1486 3.1486 3.2127 3.2127 9.1093 9.1093 9.1179 9.1179 10.4712 10.4712 10.4948 10.4948 10.8131 10.8131 10.8301 10.8301 11.1646 11.1646 11.1999 11.1999 11.3834 11.3834 11.4682 11.4682 11.6626 11.6626 11.7035 11.7035 12.0206 12.0206 12.0963 12.0963 12.2127 12.2127 12.2760 12.2760 12.7276 12.7276 12.7929 12.7929 13.2349 13.2349 13.2869 13.2869 13.7236 13.7236 13.7591 13.7591 16.1867 16.1867 16.1943 16.1943 17.2071 17.2071 17.2125 17.2125 18.4414 18.4414 18.4543 18.4543 k = 0.5000-0.2454 0.4389 ( 3724 PWs) bands (ev): -12.4185 -12.4185 -12.4184 -12.4184 0.4743 0.4743 0.5182 0.5182 2.0809 2.0809 2.2211 2.2211 3.1318 3.1318 3.2277 3.2277 9.1106 9.1106 9.1234 9.1234 10.4642 10.4642 10.4997 10.4997 10.7982 10.7982 10.8253 10.8253 11.1526 11.1526 11.2058 11.2058 11.3653 11.3653 11.4835 11.4835 11.6476 11.6476 11.7066 11.7066 12.0157 12.0157 12.1196 12.1196 12.1962 12.1962 12.2938 12.2938 12.7238 12.7238 12.8201 12.8201 13.2226 13.2226 13.2992 13.2992 13.7164 13.7164 13.7687 13.7687 16.1678 16.1678 16.1771 16.1771 17.2212 17.2212 17.2282 17.2282 18.4422 18.4422 18.4586 18.4586 k = 0.5000-0.2309 0.4491 ( 3720 PWs) bands (ev): -12.4185 -12.4185 -12.4184 -12.4184 0.4669 0.4669 0.5248 0.5248 2.0604 2.0604 2.2466 2.2466 3.1147 3.1147 3.2423 3.2423 9.1132 9.1132 9.1303 9.1303 10.4567 10.4567 10.5043 10.5043 10.7795 10.7795 10.8183 10.8183 11.1374 11.1374 11.2088 11.2088 11.3518 11.3518 11.4923 11.4923 11.6365 11.6365 11.7080 11.7080 12.0163 12.0163 12.1390 12.1390 12.1796 12.1796 12.3143 12.3143 12.7249 12.7249 12.8505 12.8505 13.2115 13.2115 13.3109 13.3109 13.7105 13.7105 13.7784 13.7784 16.1437 16.1437 16.1530 16.1530 17.2402 17.2402 17.2476 17.2476 18.4451 18.4451 18.4621 18.4621 k = 0.5000-0.2165 0.4593 ( 3728 PWs) bands (ev): -12.4185 -12.4185 -12.4184 -12.4184 0.4595 0.4595 0.5312 0.5312 2.0410 2.0410 2.2725 2.2725 3.0973 3.0973 3.2563 3.2563 9.1170 9.1170 9.1384 9.1384 10.4486 10.4486 10.5085 10.5085 10.7577 10.7577 10.8100 10.8100 11.1183 11.1183 11.2076 11.2076 11.3438 11.3438 11.4932 11.4932 11.6329 11.6329 11.7085 11.7085 12.0209 12.0209 12.1528 12.1528 12.1635 12.1635 12.3378 12.3378 12.7302 12.7302 12.8833 12.8833 13.2022 13.2022 13.3218 13.3218 13.7062 13.7062 13.7880 13.7880 16.1157 16.1157 16.1226 16.1226 17.2627 17.2627 17.2696 17.2696 18.4501 18.4501 18.4644 18.4644 k = 0.5000-0.2021 0.4695 ( 3716 PWs) bands (ev): -12.4185 -12.4185 -12.4184 -12.4184 0.4522 0.4522 0.5372 0.5372 2.0227 2.0227 2.2985 2.2985 3.0798 3.0798 3.2698 3.2698 9.1220 9.1220 9.1476 9.1476 10.4397 10.4397 10.5119 10.5119 10.7336 10.7336 10.8010 10.8010 11.0955 11.0955 11.2008 11.2008 11.3411 11.3411 11.4876 11.4876 11.6376 11.6376 11.7085 11.7085 12.0273 12.0273 12.1488 12.1488 12.1610 12.1610 12.3635 12.3635 12.7386 12.7386 12.9178 12.9178 13.1955 13.1955 13.3316 13.3316 13.7042 13.7042 13.7978 13.7978 16.0845 16.0845 16.0870 16.0870 17.2870 17.2870 17.2927 17.2927 18.4564 18.4564 18.4650 18.4650 k = 0.5000-0.1876 0.4797 ( 3720 PWs) bands (ev): -12.4185 -12.4185 -12.4184 -12.4184 0.4452 0.4452 0.5429 0.5429 2.0055 2.0055 2.3247 2.3247 3.0621 3.0621 3.2826 3.2826 9.1280 9.1280 9.1579 9.1579 10.4301 10.4301 10.5143 10.5143 10.7083 10.7083 10.7920 10.7920 11.0697 11.0697 11.1877 11.1877 11.3430 11.3430 11.4799 11.4799 11.6484 11.6484 11.7084 11.7084 12.0327 12.0327 12.1372 12.1372 12.1647 12.1647 12.3898 12.3898 12.7487 12.7487 12.9532 12.9532 13.1921 13.1921 13.3401 13.3401 13.7048 13.7048 13.8075 13.8075 16.0471 16.0471 16.0512 16.0512 17.3118 17.3118 17.3161 17.3161 18.4627 18.4627 18.4640 18.4640 k = 0.5000-0.1732 0.4899 ( 3720 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.4384 0.4384 0.5482 0.5482 1.9894 1.9894 2.3508 2.3508 3.0443 3.0443 3.2948 3.2948 9.1350 9.1350 9.1690 9.1690 10.4197 10.4197 10.5153 10.5153 10.6830 10.6830 10.7835 10.7835 11.0422 11.0422 11.1684 11.1684 11.3482 11.3482 11.4732 11.4732 11.6625 11.6625 11.7084 11.7084 12.0343 12.0343 12.1308 12.1308 12.1650 12.1650 12.4154 12.4154 12.7592 12.7592 12.9887 12.9887 13.1929 13.1929 13.3471 13.3471 13.7087 13.7087 13.8173 13.8173 16.0040 16.0040 16.0165 16.0165 17.3357 17.3357 17.3388 17.3388 18.4612 18.4612 18.4676 18.4676 k = 0.5000-0.1588 0.5001 ( 3718 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.4320 0.4320 0.5531 0.5531 1.9746 1.9746 2.3767 2.3767 3.0264 3.0264 3.3063 3.3063 9.1427 9.1427 9.1808 9.1808 10.4085 10.4085 10.5140 10.5140 10.6592 10.6592 10.7762 10.7762 11.0140 11.0140 11.1438 11.1438 11.3556 11.3556 11.4689 11.4689 11.6784 11.6784 11.7086 11.7086 12.0300 12.0300 12.1309 12.1309 12.1632 12.1632 12.4391 12.4391 12.7686 12.7686 13.0237 13.0237 13.1985 13.1985 13.3523 13.3523 13.7160 13.7160 13.8272 13.8272 15.9586 15.9586 15.9810 15.9810 17.3576 17.3576 17.3602 17.3602 18.4568 18.4568 18.4695 18.4695 k = 0.5000-0.1443 0.5103 ( 3714 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.4259 0.4259 0.5576 0.5576 1.9610 1.9610 2.4023 2.4023 3.0085 3.0085 3.3170 3.3170 9.1510 9.1510 9.1931 9.1931 10.3965 10.3965 10.5092 10.5092 10.6386 10.6386 10.7703 10.7703 10.9860 10.9860 11.1155 11.1155 11.3642 11.3642 11.4672 11.4672 11.6950 11.6950 11.7091 11.7091 12.0206 12.0206 12.1364 12.1364 12.1601 12.1601 12.4602 12.4602 12.7759 12.7759 13.0575 13.0575 13.2090 13.2090 13.3557 13.3557 13.7271 13.7271 13.8372 13.8372 15.9118 15.9118 15.9455 15.9455 17.3770 17.3770 17.3799 17.3799 18.4510 18.4510 18.4673 18.4673 k = 0.5000-0.1299 0.5205 ( 3720 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.4203 0.4203 0.5617 0.5617 1.9486 1.9486 2.4273 2.4273 2.9908 2.9908 3.3269 3.3269 9.1596 9.1596 9.2056 9.2056 10.3841 10.3841 10.4999 10.4999 10.6229 10.6229 10.7662 10.7662 10.9589 10.9589 11.0849 11.0849 11.3733 11.3733 11.4675 11.4675 11.7100 11.7100 11.7117 11.7117 12.0080 12.0080 12.1450 12.1450 12.1564 12.1564 12.4785 12.4785 12.7806 12.7806 13.0895 13.0895 13.2240 13.2240 13.3571 13.3571 13.7419 13.7419 13.8472 13.8472 15.8647 15.8647 15.9104 15.9104 17.3933 17.3933 17.3977 17.3977 18.4440 18.4440 18.4609 18.4609 k = 0.5000-0.1155 0.5307 ( 3720 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.4151 0.4151 0.5653 0.5653 1.9376 1.9376 2.4516 2.4516 2.9734 2.9734 3.3359 3.3359 9.1684 9.1684 9.2181 9.2181 10.3714 10.3714 10.4858 10.4858 10.6129 10.6129 10.7641 10.7641 10.9333 10.9333 11.0536 11.0536 11.3823 11.3823 11.4690 11.4690 11.7113 11.7113 11.7279 11.7279 11.9941 11.9941 12.1524 12.1524 12.1546 12.1546 12.4939 12.4939 12.7828 12.7828 13.1193 13.1193 13.2424 13.2424 13.3568 13.3568 13.7597 13.7597 13.8571 13.8571 15.8181 15.8181 15.8765 15.8765 17.4066 17.4066 17.4136 17.4136 18.4362 18.4362 18.4510 18.4510 k = 0.5000-0.1010 0.5409 ( 3730 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.4104 0.4104 0.5685 0.5685 1.9278 1.9278 2.4747 2.4747 2.9564 2.9564 3.3440 3.3440 9.1770 9.1770 9.2303 9.2303 10.3587 10.3587 10.4683 10.4683 10.6078 10.6078 10.7641 10.7641 10.9095 10.9095 11.0224 11.0224 11.3909 11.3909 11.4713 11.4713 11.7129 11.7129 11.7434 11.7434 11.9800 11.9800 12.1484 12.1484 12.1642 12.1642 12.5064 12.5064 12.7831 12.7831 13.1465 13.1465 13.2628 13.2628 13.3548 13.3548 13.7799 13.7799 13.8670 13.8670 15.7731 15.7731 15.8443 15.8443 17.4171 17.4171 17.4275 17.4275 18.4279 18.4279 18.4384 18.4384 k = 0.5000-0.0866 0.5511 ( 3730 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.4063 0.4063 0.5713 0.5713 1.9193 1.9193 2.4965 2.4965 2.9402 2.9402 3.3511 3.3511 9.1853 9.1853 9.2419 9.2419 10.3466 10.3466 10.4495 10.4495 10.6061 10.6061 10.7663 10.7663 10.8879 10.8879 10.9922 10.9922 11.3986 11.3986 11.4740 11.4740 11.7148 11.7148 11.7579 11.7579 11.9665 11.9665 12.1448 12.1448 12.1729 12.1729 12.5161 12.5161 12.7820 12.7820 13.1711 13.1711 13.2837 13.2837 13.3514 13.3514 13.8014 13.8014 13.8765 13.8765 15.7308 15.7308 15.8146 15.8146 17.4250 17.4250 17.4395 17.4395 18.4196 18.4196 18.4244 18.4244 k = 0.5000-0.0722 0.5613 ( 3722 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.4027 0.4027 0.5736 0.5736 1.9121 1.9121 2.5165 2.5165 2.9250 2.9250 3.3572 3.3572 9.1929 9.1929 9.2525 9.2525 10.3353 10.3353 10.4310 10.4310 10.6065 10.6065 10.7705 10.7705 10.8688 10.8688 10.9635 10.9635 11.4054 11.4054 11.4767 11.4767 11.7168 11.7168 11.7710 11.7710 11.9540 11.9540 12.1416 12.1416 12.1806 12.1806 12.5234 12.5234 12.7804 12.7804 13.1929 13.1929 13.3038 13.3038 13.3470 13.3470 13.8230 13.8230 13.8855 13.8855 15.6923 15.6923 15.7879 15.7879 17.4308 17.4308 17.4496 17.4496 18.4102 18.4102 18.4117 18.4117 k = 0.5000-0.0577 0.5715 ( 3710 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.3997 0.3997 0.5755 0.5755 1.9062 1.9062 2.5343 2.5343 2.9113 2.9113 3.3622 3.3622 9.1996 9.1996 9.2618 9.2618 10.3253 10.3253 10.4143 10.4143 10.6080 10.6080 10.7767 10.7767 10.8527 10.8527 10.9370 10.9370 11.4111 11.4111 11.4792 11.4792 11.7187 11.7187 11.7824 11.7824 11.9430 11.9430 12.1389 12.1389 12.1869 12.1869 12.5285 12.5285 12.7786 12.7786 13.2119 13.2119 13.3218 13.3218 13.3418 13.3418 13.8431 13.8431 13.8935 13.8935 15.6587 15.6587 15.7649 15.7649 17.4348 17.4348 17.4579 17.4579 18.3969 18.3969 18.4047 18.4047 k = 0.5000-0.0433 0.5818 ( 3704 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.3974 0.3974 0.5770 0.5770 1.9016 1.9016 2.5491 2.5491 2.8996 2.8996 3.3662 3.3662 9.2051 9.2051 9.2694 9.2694 10.3170 10.3170 10.4003 10.4003 10.6098 10.6098 10.7845 10.7845 10.8396 10.8396 10.9132 10.9132 11.4155 11.4155 11.4814 11.4814 11.7205 11.7205 11.7919 11.7919 11.9338 11.9338 12.1368 12.1368 12.1919 12.1919 12.5320 12.5320 12.7770 12.7770 13.2277 13.2277 13.3363 13.3363 13.3368 13.3368 13.8606 13.8606 13.9003 13.9003 15.6311 15.6311 15.7462 15.7462 17.4375 17.4375 17.4645 17.4645 18.3855 18.3855 18.3989 18.3989 k = 0.5000-0.0289 0.5920 ( 3706 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.3957 0.3957 0.5781 0.5781 1.8983 1.8983 2.5604 2.5604 2.8906 2.8906 3.3690 3.3690 9.2092 9.2092 9.2751 9.2751 10.3108 10.3108 10.3899 10.3899 10.6115 10.6115 10.7932 10.7932 10.8301 10.8301 10.8930 10.8930 11.4187 11.4187 11.4830 11.4830 11.7219 11.7219 11.7991 11.7991 11.9269 11.9269 12.1352 12.1352 12.1954 12.1954 12.5341 12.5341 12.7758 12.7758 13.2401 13.2401 13.3311 13.3311 13.3479 13.3479 13.8741 13.8741 13.9055 13.9055 15.6106 15.6106 15.7325 15.7325 17.4392 17.4392 17.4691 17.4691 18.3767 18.3767 18.3945 18.3945 k = 0.5000-0.0144 0.6022 ( 3704 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.3947 0.3947 0.5787 0.5787 1.8964 1.8964 2.5676 2.5676 2.8849 2.8849 3.3707 3.3707 9.2117 9.2117 9.2786 9.2786 10.3070 10.3070 10.3834 10.3834 10.6127 10.6127 10.8010 10.8010 10.8242 10.8242 10.8783 10.8783 11.4206 11.4206 11.4840 11.4840 11.7228 11.7228 11.8035 11.8035 11.9225 11.9225 12.1343 12.1343 12.1975 12.1975 12.5352 12.5352 12.7751 12.7751 13.2483 13.2483 13.3273 13.3273 13.3548 13.3548 13.8826 13.8826 13.9088 13.9088 15.5979 15.5979 15.7240 15.7240 17.4401 17.4401 17.4720 17.4720 18.3712 18.3712 18.3918 18.3918 k = 0.5000-0.0000 0.6124 ( 3704 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.3944 0.3944 0.5789 0.5789 1.8957 1.8957 2.5700 2.5700 2.8829 2.8829 3.3713 3.3713 9.2126 9.2126 9.2798 9.2798 10.3057 10.3057 10.3812 10.3812 10.6131 10.6131 10.8044 10.8044 10.8222 10.8222 10.8726 10.8726 11.4213 11.4213 11.4844 11.4844 11.7231 11.7231 11.8051 11.8051 11.9210 11.9210 12.1340 12.1340 12.1982 12.1982 12.5355 12.5355 12.7749 12.7749 13.2512 13.2512 13.3258 13.3258 13.3571 13.3571 13.8856 13.8856 13.9099 13.9099 15.5936 15.5936 15.7212 15.7212 17.4404 17.4404 17.4729 17.4729 18.3694 18.3694 18.3909 18.3909 k = 0.5000-0.0000 0.6124 ( 3704 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.3944 0.3944 0.5789 0.5789 1.8957 1.8957 2.5700 2.5700 2.8829 2.8829 3.3713 3.3713 9.2126 9.2126 9.2798 9.2798 10.3057 10.3057 10.3812 10.3812 10.6131 10.6131 10.8044 10.8044 10.8222 10.8222 10.8726 10.8726 11.4213 11.4213 11.4844 11.4844 11.7231 11.7231 11.8051 11.8051 11.9210 11.9210 12.1340 12.1340 12.1982 12.1982 12.5355 12.5355 12.7749 12.7749 13.2512 13.2512 13.3258 13.3258 13.3571 13.3571 13.8856 13.8856 13.9099 13.9099 15.5936 15.5936 15.7212 15.7212 17.4404 17.4404 17.4729 17.4729 18.3694 18.3694 18.3909 18.3909 k = 0.4917 0.0144 0.6124 ( 3704 PWs) bands (ev): -12.4233 -12.4233 -12.4134 -12.4134 0.3944 0.3944 0.5790 0.5790 1.8960 1.8960 2.5690 2.5690 2.8836 2.8836 3.3710 3.3710 9.1963 9.1963 9.2951 9.2951 10.3059 10.3059 10.3822 10.3822 10.6122 10.6122 10.7993 10.7993 10.8237 10.8237 10.8786 10.8786 11.4145 11.4145 11.4872 11.4872 11.7195 11.7195 11.8072 11.8072 11.9238 11.9238 12.1340 12.1340 12.2012 12.2012 12.5371 12.5371 12.7745 12.7745 13.2492 13.2492 13.3242 13.3242 13.3578 13.3578 13.8747 13.8747 13.9201 13.9201 15.5790 15.5790 15.7399 15.7399 17.4386 17.4386 17.4731 17.4731 18.3634 18.3634 18.3969 18.3969 k = 0.4833 0.0289 0.6124 ( 3709 PWs) bands (ev): -12.4280 -12.4280 -12.4087 -12.4087 0.3946 0.3946 0.5792 0.5792 1.8967 1.8967 2.5663 2.5663 2.8855 2.8855 3.3702 3.3702 9.1653 9.1653 9.3238 9.3238 10.3064 10.3064 10.3848 10.3848 10.6104 10.6104 10.7878 10.7878 10.8265 10.8265 10.8937 10.8937 11.3971 11.3971 11.4933 11.4933 11.7091 11.7091 11.8131 11.8131 11.9320 11.9320 12.1342 12.1342 12.2098 12.2098 12.5415 12.5415 12.7735 12.7735 13.2436 13.2436 13.3207 13.3207 13.3584 13.3584 13.8575 13.8575 13.9349 13.9349 15.5466 15.5466 15.7850 15.7850 17.4305 17.4305 17.4767 17.4767 18.3555 18.3555 18.4057 18.4057 k = 0.4750 0.0433 0.6124 ( 3712 PWs) bands (ev): -12.4324 -12.4324 -12.4044 -12.4044 0.3949 0.3949 0.5795 0.5795 1.8979 1.8979 2.5621 2.5621 2.8886 2.8886 3.3688 3.3688 9.1315 9.1315 9.3546 9.3546 10.3069 10.3069 10.3884 10.3884 10.6088 10.6088 10.7745 10.7745 10.8295 10.8295 10.9134 10.9134 11.3731 11.3731 11.4994 11.4994 11.6936 11.6936 11.8208 11.8208 11.9452 11.9452 12.1360 12.1360 12.2230 12.2230 12.5480 12.5480 12.7721 12.7721 13.2349 13.2349 13.3167 13.3167 13.3575 13.3575 13.8402 13.8402 13.9477 13.9477 15.5089 15.5089 15.8441 15.8441 17.4146 17.4146 17.4859 17.4859 18.3505 18.3505 18.4132 18.4132 k = 0.4667 0.0577 0.6124 ( 3710 PWs) bands (ev): -12.4365 -12.4365 -12.4003 -12.4003 0.3953 0.3953 0.5798 0.5798 1.8995 1.8995 2.5567 2.5567 2.8925 2.8925 3.3671 3.3671 9.0978 9.0978 9.3850 9.3850 10.3071 10.3071 10.3929 10.3929 10.6083 10.6083 10.7614 10.7614 10.8322 10.8322 10.9351 10.9351 11.3453 11.3453 11.5042 11.5042 11.6750 11.6750 11.8280 11.8280 11.9621 11.9621 12.1411 12.1411 12.2394 12.2394 12.5555 12.5555 12.7705 12.7705 13.2235 13.2235 13.3123 13.3123 13.3547 13.3547 13.8237 13.8237 13.9574 13.9574 15.4708 15.4708 15.9124 15.9124 17.3920 17.3920 17.5003 17.5003 18.3490 18.3490 18.4187 18.4187 k = 0.4583 0.0722 0.6124 ( 3722 PWs) bands (ev): -12.4402 -12.4402 -12.3965 -12.3965 0.3957 0.3957 0.5802 0.5802 1.9013 1.9013 2.5504 2.5504 2.8972 2.8972 3.3651 3.3651 9.0653 9.0653 9.4142 9.4142 10.3067 10.3067 10.3979 10.3979 10.6093 10.6093 10.7492 10.7492 10.8347 10.8347 10.9572 10.9572 11.3152 11.3152 11.5073 11.5073 11.6551 11.6551 11.8333 11.8333 11.9814 11.9814 12.1511 12.1511 12.2581 12.2581 12.5628 12.5628 12.7689 12.7689 13.2102 13.2102 13.3076 13.3076 13.3502 13.3502 13.8082 13.8082 13.9640 13.9640 15.4339 15.4339 15.9879 15.9879 17.3639 17.3639 17.5196 17.5196 18.3508 18.3508 18.4220 18.4220 k = 0.4500 0.0866 0.6124 ( 3724 PWs) bands (ev): -12.4436 -12.4436 -12.3931 -12.3931 0.3963 0.3963 0.5806 0.5806 1.9034 1.9034 2.5434 2.5434 2.9022 2.9022 3.3628 3.3628 9.0347 9.0347 9.4418 9.4418 10.3057 10.3057 10.4033 10.4033 10.6121 10.6121 10.7386 10.7386 10.8368 10.8368 10.9785 10.9785 11.2844 11.2844 11.5085 11.5085 11.6350 11.6350 11.8362 11.8362 12.0013 12.0013 12.1667 12.1667 12.2783 12.2783 12.5690 12.5690 12.7671 12.7671 13.1960 13.1960 13.3023 13.3023 13.3443 13.3443 13.7938 13.7938 13.9676 13.9676 15.3992 15.3992 16.0688 16.0688 17.3312 17.3312 17.5436 17.5436 18.3545 18.3545 18.4229 18.4229 k = 0.4417 0.1010 0.6124 ( 3722 PWs) bands (ev): -12.4467 -12.4467 -12.3900 -12.3900 0.3968 0.3968 0.5810 0.5810 1.9056 1.9056 2.5363 2.5363 2.9074 2.9074 3.3604 3.3604 9.0065 9.0065 9.4676 9.4676 10.3040 10.3040 10.4089 10.4089 10.6162 10.6162 10.7300 10.7300 10.8386 10.8386 10.9983 10.9983 11.2541 11.2541 11.5075 11.5075 11.6161 11.6161 11.8367 11.8367 12.0208 12.0208 12.1879 12.1879 12.2995 12.2995 12.5730 12.5730 12.7649 12.7649 13.1819 13.1819 13.2964 13.2964 13.3372 13.3372 13.7808 13.7808 13.9686 13.9686 15.3672 15.3672 16.1540 16.1540 17.2945 17.2945 17.5723 17.5723 18.3585 18.3585 18.4212 18.4212 k = 0.4333 0.1155 0.6124 ( 3727 PWs) bands (ev): -12.4494 -12.4494 -12.3873 -12.3873 0.3974 0.3974 0.5814 0.5814 1.9078 1.9078 2.5291 2.5291 2.9126 2.9126 3.3580 3.3580 8.9810 8.9810 9.4911 9.4911 10.3018 10.3018 10.4146 10.4146 10.6211 10.6211 10.7236 10.7236 10.8400 10.8400 11.0154 11.0154 11.2257 11.2257 11.5041 11.5041 11.5995 11.5995 11.8352 11.8352 12.0392 12.0392 12.2135 12.2135 12.3214 12.3214 12.5745 12.5745 12.7616 12.7616 13.1693 13.1693 13.2898 13.2898 13.3295 13.3295 13.7690 13.7690 13.9676 13.9676 15.3383 15.3383 16.2419 16.2419 17.2542 17.2542 17.6058 17.6058 18.3584 18.3584 18.4175 18.4175 k = 0.4250 0.1299 0.6124 ( 3719 PWs) bands (ev): -12.4518 -12.4518 -12.3849 -12.3849 0.3979 0.3979 0.5817 0.5817 1.9100 1.9100 2.5223 2.5223 2.9175 2.9175 3.3556 3.3556 8.9584 8.9584 9.5122 9.5122 10.2993 10.2993 10.4202 10.4202 10.6260 10.6260 10.7198 10.7198 10.8413 10.8413 11.0288 11.0288 11.2007 11.2007 11.4981 11.4981 11.5862 11.5862 11.8323 11.8323 12.0563 12.0563 12.2413 12.2413 12.3440 12.3440 12.5735 12.5735 12.7561 12.7561 13.1594 13.1594 13.2823 13.2823 13.3214 13.3214 13.7586 13.7586 13.9653 13.9653 15.3127 15.3127 16.3312 16.3312 17.2104 17.2104 17.6442 17.6442 18.3455 18.3455 18.4153 18.4153 k = 0.4167 0.1443 0.6124 ( 3729 PWs) bands (ev): -12.4539 -12.4539 -12.3828 -12.3828 0.3984 0.3984 0.5821 0.5821 1.9121 1.9121 2.5161 2.5161 2.9220 2.9220 3.3534 3.3534 8.9390 8.9390 9.5306 9.5306 10.2966 10.2966 10.4255 10.4255 10.6303 10.6303 10.7183 10.7183 10.8427 10.8427 11.0370 11.0370 11.1809 11.1809 11.4899 11.4899 11.5766 11.5766 11.8286 11.8286 12.0720 12.0720 12.2689 12.2689 12.3677 12.3677 12.5702 12.5702 12.7475 12.7475 13.1532 13.1532 13.2739 13.2739 13.3134 13.3134 13.7497 13.7497 13.9621 13.9621 15.2907 15.2907 16.4204 16.4204 17.1633 17.1633 17.6872 17.6872 18.3115 18.3115 18.4180 18.4180 k = 0.4083 0.1588 0.6124 ( 3721 PWs) bands (ev): -12.4555 -12.4555 -12.3812 -12.3812 0.3989 0.3989 0.5823 0.5823 1.9139 1.9139 2.5108 2.5108 2.9259 2.9259 3.3515 3.3515 8.9229 8.9229 9.5460 9.5460 10.2941 10.2941 10.4303 10.4303 10.6336 10.6336 10.7187 10.7187 10.8444 10.8444 11.0393 11.0393 11.1675 11.1675 11.4806 11.4806 11.5701 11.5701 11.8248 11.8248 12.0858 12.0858 12.2936 12.2936 12.3929 12.3929 12.5653 12.5653 12.7356 12.7356 13.1514 13.1514 13.2647 13.2647 13.3062 13.3062 13.7422 13.7422 13.9587 13.9587 15.2725 15.2725 16.5081 16.5081 17.1128 17.1128 17.7347 17.7347 18.2588 18.2588 18.4240 18.4240 k = 0.4000 0.1732 0.6124 ( 3714 PWs) bands (ev): -12.4568 -12.4568 -12.3799 -12.3799 0.3992 0.3992 0.5826 0.5826 1.9154 1.9154 2.5064 2.5064 2.9290 2.9290 3.3499 3.3499 8.9102 8.9102 9.5583 9.5583 10.2919 10.2919 10.4343 10.4343 10.6359 10.6359 10.7202 10.7202 10.8465 10.8465 11.0363 11.0363 11.1605 11.1605 11.4717 11.4717 11.5660 11.5660 11.8213 11.8213 12.0973 12.0973 12.3135 12.3135 12.4191 12.4191 12.5591 12.5591 12.7213 12.7213 13.1533 13.1533 13.2548 13.2548 13.3001 13.3001 13.7363 13.7363 13.9555 13.9555 15.2582 15.2582 16.5923 16.5923 17.0593 17.0593 17.7861 17.7861 18.1957 18.1957 18.4305 18.4305 k = 0.3917 0.1876 0.6124 ( 3718 PWs) bands (ev): -12.4577 -12.4577 -12.3789 -12.3789 0.3995 0.3995 0.5827 0.5827 1.9165 1.9165 2.5031 2.5031 2.9314 2.9314 3.3487 3.3487 8.9012 8.9012 9.5672 9.5672 10.2903 10.2903 10.4374 10.4374 10.6373 10.6373 10.7218 10.7218 10.8487 10.8487 11.0307 11.0307 11.1580 11.1580 11.4644 11.4644 11.5635 11.5635 11.8186 11.8186 12.1061 12.1061 12.3276 12.3276 12.4444 12.4444 12.5522 12.5522 12.7067 12.7067 13.1578 13.1578 13.2452 13.2452 13.2956 13.2956 13.7320 13.7320 13.9530 13.9530 15.2479 15.2479 16.6707 16.6707 17.0041 17.0041 17.8404 17.8404 18.1298 18.1298 18.4361 18.4361 k = 0.3833 0.2021 0.6124 ( 3719 PWs) bands (ev): -12.4583 -12.4583 -12.3784 -12.3784 0.3997 0.3997 0.5828 0.5828 1.9172 1.9172 2.5011 2.5011 2.9328 2.9328 3.3479 3.3479 8.8957 8.8957 9.5726 9.5726 10.2892 10.2892 10.4394 10.4394 10.6382 10.6382 10.7230 10.7230 10.8504 10.8504 11.0257 11.0257 11.1576 11.1576 11.4597 11.4597 11.5622 11.5622 11.8169 11.8169 12.1115 12.1115 12.3360 12.3360 12.4644 12.4644 12.5457 12.5457 12.6954 12.6954 13.1625 13.1625 13.2377 13.2377 13.2929 13.2929 13.7294 13.7294 13.9513 13.9513 15.2417 15.2417 16.7368 16.7368 16.9522 16.9522 17.8932 17.8932 18.0689 18.0689 18.4398 18.4398 k = 0.3750 0.2165 0.6124 ( 3727 PWs) bands (ev): -12.4585 -12.4585 -12.3782 -12.3782 0.3998 0.3998 0.5829 0.5829 1.9174 1.9174 2.5004 2.5004 2.9333 2.9333 3.3477 3.3477 8.8938 8.8938 9.5744 9.5744 10.2889 10.2889 10.4401 10.4401 10.6384 10.6384 10.7234 10.7234 10.8511 10.8511 11.0238 11.0238 11.1577 11.1577 11.4581 11.4581 11.5618 11.5618 11.8163 11.8163 12.1134 12.1134 12.3387 12.3387 12.4727 12.4727 12.5425 12.5425 12.6911 12.6911 13.1646 13.1646 13.2347 13.2347 13.2920 13.2920 13.7285 13.7285 13.9508 13.9508 15.2397 15.2397 16.7683 16.7683 16.9256 16.9256 17.9229 17.9229 18.0363 18.0363 18.4411 18.4411 k = 0.3750 0.2165 0.6124 ( 3727 PWs) bands (ev): -12.4585 -12.4585 -12.3782 -12.3782 0.3998 0.3998 0.5829 0.5829 1.9174 1.9174 2.5004 2.5004 2.9333 2.9333 3.3477 3.3477 8.8938 8.8938 9.5744 9.5744 10.2889 10.2889 10.4401 10.4401 10.6384 10.6384 10.7234 10.7234 10.8511 10.8511 11.0238 11.0238 11.1577 11.1577 11.4581 11.4581 11.5618 11.5618 11.8163 11.8163 12.1134 12.1134 12.3387 12.3387 12.4727 12.4727 12.5425 12.5425 12.6911 12.6911 13.1646 13.1646 13.2347 13.2347 13.2920 13.2920 13.7285 13.7285 13.9508 13.9508 15.2397 15.2397 16.7683 16.7683 16.9256 16.9256 17.9229 17.9229 18.0363 18.0363 18.4411 18.4411 k = 0.3663 0.2115 0.5981 ( 3723 PWs) bands (ev): -12.4640 -12.4640 -12.3727 -12.3727 0.3950 0.3950 0.5879 0.5879 1.9101 1.9101 2.5216 2.5216 2.9156 2.9156 3.3527 3.3527 8.8632 8.8632 9.6311 9.6311 10.2730 10.2730 10.4175 10.4175 10.6116 10.6116 10.7235 10.7235 10.8245 10.8245 11.0055 11.0055 11.1450 11.1450 11.4529 11.4529 11.5736 11.5736 11.8001 11.8001 12.1488 12.1488 12.3755 12.3755 12.4901 12.4901 12.5472 12.5472 12.7151 12.7151 13.1664 13.1664 13.2508 13.2508 13.2822 13.2822 13.7412 13.7412 13.9809 13.9809 15.1780 15.1780 16.8080 16.8080 16.9261 16.9261 17.8679 17.8679 18.0619 18.0619 18.4254 18.4254 k = 0.3576 0.2064 0.5839 ( 3723 PWs) bands (ev): -12.4697 -12.4697 -12.3668 -12.3668 0.3905 0.3905 0.5931 0.5931 1.9039 1.9039 2.5414 2.5414 2.8983 2.8983 3.3566 3.3566 8.8305 8.8305 9.6869 9.6869 10.2585 10.2585 10.3972 10.3972 10.5755 10.5755 10.7277 10.7277 10.7999 10.7999 10.9918 10.9918 11.1340 11.1340 11.4480 11.4480 11.5865 11.5865 11.7834 11.7834 12.1858 12.1858 12.4122 12.4122 12.5054 12.5054 12.5450 12.5450 12.7459 12.7459 13.1690 13.1690 13.2407 13.2407 13.2961 13.2961 13.7548 13.7548 14.0139 14.0139 15.1219 15.1219 16.8269 16.8269 16.9454 16.9454 17.8136 17.8136 18.0705 18.0705 18.4073 18.4073 k = 0.3488 0.2014 0.5696 ( 3735 PWs) bands (ev): -12.4757 -12.4757 -12.3608 -12.3608 0.3864 0.3864 0.5984 0.5984 1.8988 1.8988 2.5598 2.5598 2.8814 2.8814 3.3594 3.3594 8.7958 8.7958 9.7396 9.7396 10.2449 10.2449 10.3805 10.3805 10.5356 10.5356 10.7312 10.7312 10.7784 10.7784 10.9817 10.9817 11.1257 11.1257 11.4430 11.4430 11.5989 11.5989 11.7686 11.7686 12.2231 12.2231 12.4480 12.4480 12.5184 12.5184 12.5387 12.5387 12.7805 12.7805 13.1722 13.1722 13.2229 13.2229 13.3177 13.3177 13.7688 13.7688 14.0494 14.0494 15.0714 15.0714 16.8279 16.8279 16.9790 16.9790 17.7604 17.7604 18.0655 18.0655 18.3858 18.3858 k = 0.3401 0.1964 0.5554 ( 3717 PWs) bands (ev): -12.4820 -12.4820 -12.3544 -12.3544 0.3826 0.3826 0.6040 0.6040 1.8948 1.8948 2.5763 2.5763 2.8652 2.8652 3.3610 3.3610 8.7590 8.7590 9.7867 9.7867 10.2312 10.2312 10.3693 10.3693 10.4959 10.4959 10.7308 10.7308 10.7617 10.7617 10.9742 10.9742 11.1208 11.1208 11.4380 11.4380 11.6087 11.6087 11.7584 11.7584 12.2597 12.2597 12.4813 12.4813 12.5246 12.5246 12.5359 12.5359 12.8167 12.8167 13.1743 13.1743 13.2086 13.2086 13.3400 13.3400 13.7831 13.7831 14.0870 14.0870 15.0262 15.0262 16.8211 16.8211 17.0149 17.0149 17.7088 17.7088 18.0512 18.0512 18.3595 18.3595 k = 0.3314 0.1913 0.5412 ( 3717 PWs) bands (ev): -12.4885 -12.4885 -12.3478 -12.3478 0.3791 0.3791 0.6099 0.6099 1.8918 1.8918 2.5906 2.5906 2.8501 2.8501 3.3616 3.3616 8.7201 8.7201 9.8253 9.8253 10.2154 10.2154 10.3620 10.3620 10.4630 10.4630 10.7251 10.7251 10.7514 10.7514 10.9679 10.9679 11.1196 11.1196 11.4328 11.4328 11.6134 11.6134 11.7556 11.7556 12.2950 12.2950 12.5009 12.5009 12.5238 12.5238 12.5488 12.5488 12.8530 12.8530 13.1722 13.1722 13.2041 13.2041 13.3626 13.3626 13.7976 13.7976 14.1263 14.1263 14.9860 14.9860 16.8114 16.8114 17.0468 17.0468 17.6588 17.6588 18.0308 18.0308 18.3258 18.3258 k = 0.3227 0.1863 0.5269 ( 3727 PWs) bands (ev): -12.4952 -12.4952 -12.3410 -12.3410 0.3758 0.3758 0.6163 0.6163 1.8898 1.8898 2.6022 2.6022 2.8365 2.8365 3.3611 3.3611 8.6791 8.6791 9.8535 9.8535 10.1960 10.1960 10.3479 10.3479 10.4507 10.4507 10.7179 10.7179 10.7447 10.7447 10.9618 10.9618 11.1221 11.1221 11.4276 11.4276 11.6119 11.6119 11.7616 11.7616 12.3280 12.3280 12.4915 12.4915 12.5373 12.5373 12.5724 12.5724 12.8881 12.8881 13.1684 13.1684 13.2093 13.2093 13.3857 13.3857 13.8121 13.8121 14.1666 14.1666 14.9505 14.9505 16.8004 16.8004 17.0714 17.0714 17.6106 17.6106 18.0067 18.0067 18.2805 18.2805 k = 0.3140 0.1813 0.5127 ( 3723 PWs) bands (ev): -12.5022 -12.5022 -12.3340 -12.3340 0.3726 0.3726 0.6231 0.6231 1.8887 1.8887 2.6106 2.6106 2.8250 2.8250 3.3595 3.3595 8.6361 8.6361 9.8706 9.8706 10.1729 10.1729 10.3185 10.3185 10.4660 10.4660 10.7154 10.7154 10.7382 10.7382 10.9553 10.9553 11.1270 11.1270 11.4228 11.4228 11.6058 11.6058 11.7752 11.7752 12.3566 12.3566 12.4762 12.4762 12.5486 12.5486 12.6029 12.6029 12.9208 12.9208 13.1693 13.1693 13.2194 13.2194 13.4096 13.4096 13.8268 13.8268 14.2075 14.2075 14.9192 14.9192 16.7884 16.7884 17.0868 17.0868 17.5646 17.5646 17.9808 17.9808 18.2200 18.2200 k = 0.3052 0.1762 0.4984 ( 3715 PWs) bands (ev): -12.5092 -12.5092 -12.3268 -12.3268 0.3695 0.3695 0.6305 0.6305 1.8885 1.8885 2.6150 2.6150 2.8163 2.8163 3.3569 3.3569 8.5910 8.5910 9.8776 9.8776 10.1464 10.1464 10.2815 10.2815 10.4956 10.4956 10.7212 10.7212 10.7324 10.7324 10.9488 10.9488 11.1327 11.1327 11.4192 11.4192 11.5981 11.5981 11.7937 11.7937 12.3759 12.3759 12.4654 12.4654 12.5591 12.5591 12.6348 12.6348 12.9499 12.9499 13.1783 13.1783 13.2322 13.2322 13.4350 13.4350 13.8416 13.8416 14.2486 14.2486 14.8917 14.8917 16.7754 16.7754 17.0920 17.0920 17.5207 17.5207 17.9542 17.9542 18.1452 18.1452 k = 0.2965 0.1712 0.4842 ( 3717 PWs) bands (ev): -12.5165 -12.5165 -12.3195 -12.3195 0.3665 0.3665 0.6386 0.6386 1.8892 1.8892 2.6151 2.6151 2.8108 2.8108 3.3534 3.3534 8.5439 8.5439 9.8764 9.8764 10.1172 10.1172 10.2430 10.2430 10.5251 10.5251 10.7187 10.7187 10.7481 10.7481 10.9434 10.9434 11.1366 11.1366 11.4179 11.4179 11.5914 11.5914 11.8146 11.8146 12.3773 12.3773 12.4694 12.4694 12.5707 12.5707 12.6663 12.6663 12.9749 12.9749 13.1959 13.1959 13.2468 13.2468 13.4621 13.4621 13.8568 13.8568 14.2894 14.2894 14.8678 14.8678 16.7610 16.7610 17.0862 17.0862 17.4790 17.4790 17.9280 17.9280 18.0616 18.0616 k = 0.2878 0.1662 0.4700 ( 3715 PWs) bands (ev): -12.5239 -12.5239 -12.3120 -12.3120 0.3634 0.3634 0.6475 0.6475 1.8906 1.8906 2.6105 2.6105 2.8089 2.8089 3.3489 3.3489 8.4949 8.4949 9.8688 9.8688 10.0858 10.0858 10.2055 10.2055 10.5465 10.5465 10.7087 10.7087 10.7841 10.7841 10.9423 10.9423 11.1365 11.1365 11.4207 11.4207 11.5877 11.5877 11.8361 11.8361 12.3636 12.3636 12.4875 12.4875 12.5843 12.5843 12.6970 12.6970 12.9960 12.9960 13.2212 13.2212 13.2632 13.2632 13.4914 13.4914 13.8725 13.8725 14.3295 14.3295 14.8473 14.8473 16.7447 16.7447 17.0692 17.0692 17.4395 17.4395 17.9023 17.9023 17.9752 17.9752 k = 0.2791 0.1611 0.4557 ( 3719 PWs) bands (ev): -12.5313 -12.5313 -12.3043 -12.3043 0.3602 0.3602 0.6572 0.6572 1.8928 1.8928 2.6015 2.6015 2.8103 2.8103 3.3436 3.3436 8.4440 8.4440 9.8564 9.8564 10.0526 10.0526 10.1696 10.1696 10.5595 10.5595 10.6973 10.6973 10.8216 10.8216 10.9539 10.9539 11.1310 11.1310 11.4293 11.4293 11.5883 11.5883 11.8567 11.8567 12.3457 12.3457 12.5109 12.5109 12.6004 12.6004 12.7269 12.7269 13.0141 13.0141 13.2517 13.2517 13.2816 13.2816 13.5230 13.5230 13.8889 13.8889 14.3686 14.3686 14.8300 14.8300 16.7262 16.7262 17.0414 17.0414 17.4021 17.4021 17.8698 17.8698 17.8971 17.8971 k = 0.2703 0.1561 0.4415 ( 3717 PWs) bands (ev): -12.5389 -12.5389 -12.2966 -12.2966 0.3568 0.3568 0.6678 0.6678 1.8956 1.8956 2.5889 2.5889 2.8143 2.8143 3.3375 3.3375 8.3914 8.3914 9.8403 9.8403 10.0184 10.0184 10.1354 10.1354 10.5673 10.5673 10.6850 10.6850 10.8414 10.8414 10.9883 10.9883 11.1198 11.1198 11.4462 11.4462 11.5940 11.5940 11.8756 11.8756 12.3301 12.3301 12.5352 12.5352 12.6190 12.6190 12.7559 12.7559 13.0305 13.0305 13.2818 13.2818 13.3055 13.3055 13.5571 13.5571 13.9065 13.9065 14.4063 14.4063 14.8161 14.8161 16.7049 16.7049 17.0035 17.0035 17.3662 17.3662 17.7950 17.7950 17.8655 17.8655 k = 0.2616 0.1511 0.4272 ( 3721 PWs) bands (ev): -12.5465 -12.5465 -12.2888 -12.2888 0.3533 0.3533 0.6793 0.6793 1.8989 1.8989 2.5733 2.5733 2.8205 2.8205 3.3308 3.3308 8.3372 8.3372 9.8213 9.8213 9.9836 9.9836 10.1028 10.1028 10.5725 10.5725 10.6721 10.6721 10.8426 10.8426 11.0353 11.0353 11.1055 11.1055 11.4749 11.4749 11.6050 11.6050 11.8923 11.8923 12.3202 12.3202 12.5592 12.5592 12.6400 12.6400 12.7843 12.7843 13.0459 13.0459 13.3047 13.3047 13.3394 13.3394 13.5938 13.5938 13.9255 13.9255 14.4422 14.4422 14.8059 14.8059 16.6802 16.6802 16.9565 16.9565 17.3314 17.3314 17.7123 17.7123 17.8471 17.8471 k = 0.2529 0.1460 0.4130 ( 3721 PWs) bands (ev): -12.5542 -12.5542 -12.2810 -12.2810 0.3495 0.3495 0.6918 0.6918 1.9028 1.9028 2.5554 2.5554 2.8282 2.8282 3.3234 3.3234 8.2815 8.2815 9.8000 9.8000 9.9490 9.9490 10.0713 10.0713 10.5764 10.5764 10.6588 10.6588 10.8349 10.8349 11.0595 11.0595 11.1068 11.1068 11.5197 11.5197 11.6209 11.6209 11.9073 11.9073 12.3175 12.3175 12.5825 12.5825 12.6631 12.6631 12.8123 12.8123 13.0611 13.0611 13.3235 13.3235 13.3788 13.3788 13.6328 13.6328 13.9463 13.9463 14.4760 14.4760 14.7998 14.7998 16.6514 16.6514 16.9016 16.9016 17.2970 17.2970 17.6321 17.6321 17.8326 17.8326 k = 0.2442 0.1410 0.3988 ( 3721 PWs) bands (ev): -12.5619 -12.5619 -12.2731 -12.2731 0.3455 0.3455 0.7052 0.7052 1.9071 1.9071 2.5356 2.5356 2.8369 2.8369 3.3156 3.3156 8.2245 8.2245 9.7768 9.7768 9.9148 9.9148 10.0406 10.0406 10.5789 10.5789 10.6451 10.6451 10.8236 10.8236 11.0415 11.0415 11.1342 11.1342 11.5806 11.5806 11.6431 11.6431 11.9219 11.9219 12.3224 12.3224 12.6050 12.6050 12.6877 12.6877 12.8401 12.8401 13.0764 13.0764 13.3410 13.3410 13.4195 13.4195 13.6741 13.6741 13.9695 13.9695 14.5074 14.5074 14.7981 14.7981 16.6180 16.6180 16.8400 16.8400 17.2626 17.2626 17.5558 17.5558 17.8213 17.8213 k = 0.2355 0.1359 0.3845 ( 3713 PWs) bands (ev): -12.5696 -12.5696 -12.2652 -12.2652 0.3412 0.3412 0.7195 0.7195 1.9117 1.9117 2.5145 2.5145 2.8465 2.8465 3.3073 3.3073 8.1664 8.1664 9.7522 9.7522 9.8814 9.8814 10.0104 10.0104 10.5793 10.5793 10.6312 10.6312 10.8114 10.8114 11.0134 11.0134 11.1553 11.1553 11.6334 11.6334 11.6927 11.6927 11.9383 11.9383 12.3342 12.3342 12.6268 12.6268 12.7134 12.7134 12.8679 12.8679 13.0922 13.0922 13.3580 13.3580 13.4599 13.4599 13.7172 13.7172 13.9956 13.9956 14.5363 14.5363 14.8015 14.8015 16.5794 16.5794 16.7731 16.7731 17.2273 17.2273 17.4838 17.4838 17.8128 17.8128 k = 0.2267 0.1309 0.3703 ( 3707 PWs) bands (ev): -12.5773 -12.5773 -12.2573 -12.2573 0.3366 0.3366 0.7348 0.7348 1.9167 1.9167 2.4923 2.4923 2.8566 2.8566 3.2988 3.2988 8.1073 8.1073 9.7265 9.7265 9.8491 9.8491 9.9805 9.9805 10.5761 10.5761 10.6170 10.6170 10.7994 10.7994 10.9829 10.9829 11.1670 11.1670 11.6566 11.6566 11.7850 11.7850 11.9590 11.9590 12.3516 12.3516 12.6483 12.6483 12.7396 12.7396 12.8957 12.8957 13.1087 13.1087 13.3748 13.3748 13.4988 13.4988 13.7621 13.7621 14.0249 14.0249 14.5628 14.5628 14.8101 14.8101 16.5346 16.5346 16.7022 16.7022 17.1905 17.1905 17.4166 17.4166 17.8069 17.8069 k = 0.2180 0.1259 0.3560 ( 3711 PWs) bands (ev): -12.5849 -12.5849 -12.2495 -12.2495 0.3317 0.3317 0.7510 0.7510 1.9218 1.9218 2.4692 2.4692 2.8673 2.8673 3.2900 3.2900 8.0475 8.0475 9.6999 9.6999 9.8178 9.8178 9.9507 9.9507 10.5678 10.5678 10.6028 10.6028 10.7880 10.7880 10.9530 10.9530 11.1728 11.1728 11.6708 11.6708 11.8927 11.8927 11.9863 11.9863 12.3733 12.3733 12.6694 12.6694 12.7661 12.7661 12.9237 12.9237 13.1260 13.1260 13.3914 13.3914 13.5355 13.5355 13.8084 13.8084 14.0579 14.0579 14.5876 14.5876 14.8240 14.8240 16.4830 16.4830 16.6290 16.6290 17.1514 17.1514 17.3544 17.3544 17.8031 17.8031 k = 0.2093 0.1208 0.3418 ( 3709 PWs) bands (ev): -12.5924 -12.5924 -12.2417 -12.2417 0.3266 0.3266 0.7680 0.7680 1.9271 1.9271 2.4455 2.4455 2.8784 2.8784 3.2810 3.2810 7.9872 7.9872 9.6729 9.6729 9.7877 9.7877 9.9208 9.9208 10.5531 10.5531 10.5886 10.5886 10.7760 10.7760 10.9274 10.9274 11.1756 11.1756 11.6809 11.6809 11.9927 11.9927 12.0342 12.0342 12.3984 12.3984 12.6905 12.6905 12.7926 12.7926 12.9519 12.9519 13.1443 13.1443 13.4080 13.4080 13.5694 13.5694 13.8558 13.8558 14.0949 14.0949 14.6116 14.6116 14.8426 14.8426 16.4238 16.4238 16.5550 16.5550 17.1096 17.1096 17.2971 17.2971 17.8010 17.8010 k = 0.2006 0.1158 0.3275 ( 3711 PWs) bands (ev): -12.5999 -12.5999 -12.2340 -12.2340 0.3213 0.3213 0.7857 0.7857 1.9325 1.9325 2.4212 2.4212 2.8900 2.8900 3.2720 3.2720 7.9266 7.9266 9.6457 9.6457 9.7586 9.7586 9.8908 9.8908 10.5314 10.5314 10.5744 10.5744 10.7601 10.7601 10.9105 10.9105 11.1775 11.1775 11.6884 11.6884 12.0428 12.0428 12.1394 12.1394 12.4270 12.4270 12.7116 12.7116 12.8188 12.8188 12.9807 12.9807 13.1635 13.1635 13.4245 13.4245 13.6002 13.6002 13.9042 13.9042 14.1359 14.1359 14.6358 14.6358 14.8654 14.8654 16.3566 16.3566 16.4814 16.4814 17.0648 17.0648 17.2445 17.2445 17.8001 17.8001 k = 0.1919 0.1108 0.3133 ( 3707 PWs) bands (ev): -12.6072 -12.6072 -12.2264 -12.2264 0.3158 0.3158 0.8042 0.8042 1.9378 1.9378 2.3965 2.3965 2.9020 2.9020 3.2630 3.2630 7.8659 7.8659 9.6186 9.6186 9.7305 9.7305 9.8607 9.8607 10.5030 10.5030 10.5603 10.5603 10.7377 10.7377 10.9056 10.9056 11.1796 11.1796 11.6944 11.6944 12.0843 12.0843 12.2532 12.2532 12.4619 12.4619 12.7328 12.7328 12.8448 12.8448 13.0106 13.0106 13.1838 13.1838 13.4411 13.4411 13.6275 13.6275 13.9536 13.9536 14.1809 14.1809 14.6611 14.6611 14.8920 14.8920 16.2822 16.2822 16.4085 16.4085 17.0173 17.0173 17.1955 17.1955 17.8003 17.8003 k = 0.1831 0.1057 0.2991 ( 3715 PWs) bands (ev): -12.6144 -12.6144 -12.2190 -12.2190 0.3101 0.3101 0.8232 0.8232 1.9431 1.9431 2.3714 2.3714 2.9145 2.9145 3.2541 3.2541 7.8054 7.8054 9.5918 9.5918 9.7035 9.7035 9.8304 9.8304 10.4685 10.4685 10.5465 10.5465 10.7098 10.7098 10.9118 10.9118 11.1827 11.1827 11.6997 11.6997 12.1273 12.1273 12.3518 12.3518 12.5121 12.5121 12.7541 12.7541 12.8705 12.8705 13.0429 13.0429 13.2051 13.2051 13.4577 13.4577 13.6513 13.6513 14.0039 14.0039 14.2297 14.2297 14.6878 14.6878 14.9221 14.9221 16.2023 16.2023 16.3357 16.3357 16.9677 16.9677 17.1493 17.1493 17.8014 17.8014 k = 0.1744 0.1007 0.2848 ( 3711 PWs) bands (ev): -12.6214 -12.6214 -12.2117 -12.2117 0.3042 0.3042 0.8427 0.8427 1.9483 1.9483 2.3462 2.3462 2.9274 2.9274 3.2454 3.2454 7.7453 7.7453 9.5654 9.5654 9.6774 9.6774 9.8001 9.8001 10.4289 10.4289 10.5329 10.5329 10.6792 10.6792 10.9262 10.9262 11.1871 11.1871 11.7052 11.7052 12.1718 12.1718 12.4182 12.4182 12.5894 12.5894 12.7758 12.7758 12.8965 12.8965 13.0796 13.0796 13.2274 13.2274 13.4745 13.4745 13.6716 13.6716 14.0552 14.0552 14.2820 14.2820 14.7157 14.7157 14.9558 14.9558 16.1190 16.1190 16.2621 16.2621 16.9167 16.9167 17.1045 17.1045 17.8033 17.8033 k = 0.1657 0.0957 0.2706 ( 3715 PWs) bands (ev): -12.6282 -12.6282 -12.2046 -12.2046 0.2983 0.2983 0.8626 0.8626 1.9534 1.9534 2.3210 2.3210 2.9407 2.9407 3.2369 3.2369 7.6858 7.6858 9.5397 9.5397 9.6522 9.6522 9.7698 9.7698 10.3852 10.3852 10.5196 10.5196 10.6482 10.6482 10.9461 10.9461 11.1929 11.1929 11.7111 11.7111 12.2172 12.2172 12.4577 12.4577 12.6813 12.6813 12.7985 12.7985 12.9238 12.9238 13.1241 13.1241 13.2506 13.2506 13.4912 13.4912 13.6888 13.6888 14.1077 14.1077 14.3374 14.3374 14.7440 14.7440 14.9934 14.9934 16.0340 16.0340 16.1874 16.1874 16.8648 16.8648 17.0604 17.0604 17.8062 17.8062 k = 0.1570 0.0906 0.2563 ( 3711 PWs) bands (ev): -12.6348 -12.6348 -12.1977 -12.1977 0.2924 0.2924 0.8828 0.8828 1.9582 1.9582 2.2957 2.2957 2.9544 2.9544 3.2286 3.2286 7.6272 7.6272 9.5146 9.5146 9.6280 9.6280 9.7396 9.7396 10.3384 10.3384 10.5066 10.5066 10.6182 10.6182 10.9695 10.9695 11.1999 11.1999 11.7178 11.7178 12.2629 12.2629 12.4854 12.4854 12.7608 12.7608 12.8259 12.8259 12.9546 12.9546 13.1815 13.1815 13.2751 13.2751 13.5081 13.5081 13.7031 13.7031 14.1615 14.1615 14.3954 14.3954 14.7713 14.7713 15.0353 15.0353 15.9492 15.9492 16.1115 16.1115 16.8125 16.8125 17.0161 17.0161 17.8100 17.8100 k = 0.1483 0.0856 0.2421 ( 3711 PWs) bands (ev): -12.6412 -12.6412 -12.1910 -12.1910 0.2864 0.2864 0.9031 0.9031 1.9628 1.9628 2.2706 2.2706 2.9685 2.9685 3.2207 3.2207 7.5697 7.5697 9.4904 9.4904 9.6047 9.6047 9.7096 9.7096 10.2896 10.2896 10.4940 10.4940 10.5900 10.5900 10.9953 10.9953 11.2080 11.2080 11.7254 11.7254 12.3083 12.3083 12.5080 12.5080 12.8078 12.8078 12.8631 12.8631 12.9908 12.9908 13.2553 13.2553 13.3026 13.3026 13.5250 13.5250 13.7150 13.7150 14.2169 14.2169 14.4558 14.4558 14.7960 14.7960 15.0818 15.0818 15.8661 15.8661 16.0348 16.0348 16.7601 16.7601 16.9710 16.9710 17.8147 17.8147 k = 0.1395 0.0806 0.2279 ( 3697 PWs) bands (ev): -12.6473 -12.6473 -12.1846 -12.1846 0.2805 0.2805 0.9235 0.9235 1.9671 1.9671 2.2457 2.2457 2.9830 2.9830 3.2131 3.2131 7.5137 7.5137 9.4670 9.4670 9.5825 9.5825 9.6800 9.6800 10.2397 10.2397 10.4819 10.4819 10.5637 10.5637 11.0226 11.0226 11.2171 11.2171 11.7340 11.7340 12.3528 12.3528 12.5281 12.5281 12.8328 12.8328 12.8979 12.8979 13.0296 13.0296 13.3174 13.3174 13.3613 13.3613 13.5420 13.5420 13.7256 13.7256 14.2743 14.2743 14.5179 14.5179 14.8167 14.8167 15.1323 15.1323 15.7864 15.7864 15.9581 15.9581 16.7077 16.7077 16.9249 16.9249 17.8202 17.8202 k = 0.1308 0.0755 0.2136 ( 3705 PWs) bands (ev): -12.6532 -12.6532 -12.1785 -12.1785 0.2747 0.2747 0.9438 0.9438 1.9711 1.9711 2.2212 2.2212 2.9977 2.9977 3.2059 3.2059 7.4592 7.4592 9.4445 9.4445 9.5613 9.5613 9.6510 9.6510 10.1897 10.1897 10.4703 10.4703 10.5396 10.5396 11.0507 11.0507 11.2269 11.2269 11.7435 11.7435 12.3960 12.3960 12.5469 12.5469 12.8510 12.8510 12.9231 12.9231 13.0660 13.0660 13.3475 13.3475 13.4647 13.4647 13.5592 13.5592 13.7366 13.7366 14.3338 14.3338 14.5812 14.5812 14.8321 14.8321 15.1852 15.1852 15.7126 15.7126 15.8825 15.8825 16.6553 16.6553 16.8775 16.8775 17.8262 17.8262 k = 0.1221 0.0705 0.1994 ( 3705 PWs) bands (ev): -12.6588 -12.6588 -12.1726 -12.1726 0.2691 0.2691 0.9639 0.9639 1.9748 1.9748 2.1972 2.1972 3.0126 3.0126 3.1991 3.1991 7.4067 7.4067 9.4230 9.4230 9.5412 9.5412 9.6226 9.6226 10.1405 10.1405 10.4592 10.4592 10.5174 10.5174 11.0792 11.0792 11.2370 11.2370 11.7539 11.7539 12.4373 12.4373 12.5651 12.5651 12.8665 12.8665 12.9421 12.9421 13.0982 13.0982 13.3753 13.3753 13.5651 13.5651 13.5827 13.5827 13.7532 13.7532 14.3959 14.3959 14.6449 14.6449 14.8415 14.8415 15.2374 15.2374 15.6478 15.6478 15.8095 15.8095 16.6031 16.6031 16.8285 16.8285 17.8324 17.8324 k = 0.1134 0.0655 0.1851 ( 3703 PWs) bands (ev): -12.6641 -12.6641 -12.1671 -12.1671 0.2636 0.2636 0.9836 0.9836 1.9782 1.9782 2.1738 2.1738 3.0275 3.0275 3.1927 3.1927 7.3563 7.3563 9.4024 9.4024 9.5223 9.5223 9.5951 9.5951 10.0927 10.0927 10.4487 10.4487 10.4972 10.4972 11.1074 11.1074 11.2473 11.2473 11.7650 11.7650 12.4762 12.4762 12.5830 12.5830 12.8806 12.8806 12.9573 12.9573 13.1265 13.1265 13.4031 13.4031 13.5904 13.5904 13.6586 13.6586 13.7931 13.7931 14.4609 14.4609 14.7070 14.7070 14.8454 14.8454 15.2828 15.2828 15.5973 15.5973 15.7418 15.7418 16.5509 16.5509 16.7779 16.7779 17.8382 17.8382 k = 0.1047 0.0604 0.1709 ( 3703 PWs) bands (ev): -12.6690 -12.6690 -12.1618 -12.1618 0.2583 0.2583 1.0028 1.0028 1.9812 1.9812 2.1512 2.1512 3.0423 3.0423 3.1868 3.1868 7.3083 7.3083 9.3829 9.3829 9.5045 9.5045 9.5687 9.5687 10.0469 10.0469 10.4388 10.4388 10.4788 10.4788 11.1352 11.1352 11.2575 11.2575 11.7767 11.7767 12.5123 12.5123 12.6010 12.6010 12.8940 12.8940 12.9703 12.9703 13.1517 13.1517 13.4309 13.4309 13.6068 13.6068 13.6964 13.6964 13.8761 13.8761 14.5294 14.5294 14.7601 14.7601 14.8498 14.8498 15.3122 15.3122 15.5666 15.5666 15.6848 15.6848 16.4989 16.4989 16.7258 16.7258 17.8433 17.8433 k = 0.0959 0.0554 0.1567 ( 3711 PWs) bands (ev): -12.6737 -12.6737 -12.1570 -12.1570 0.2532 0.2532 1.0214 1.0214 1.9840 1.9840 2.1295 2.1295 3.0569 3.0569 3.1813 3.1813 7.2629 7.2629 9.3644 9.3644 9.4879 9.4879 9.5435 9.5435 10.0037 10.0037 10.4296 10.4296 10.4622 10.4622 11.1620 11.1620 11.2675 11.2675 11.7888 11.7888 12.5452 12.5452 12.6189 12.6189 12.9072 12.9072 12.9818 12.9818 13.1743 13.1743 13.4584 13.4584 13.6226 13.6226 13.7095 13.7095 13.9773 13.9773 14.6018 14.6018 14.7791 14.7791 14.8787 14.8787 15.3184 15.3184 15.5486 15.5486 15.6541 15.6541 16.4471 16.4471 16.6720 16.6720 17.8471 17.8471 k = 0.0872 0.0504 0.1424 ( 3711 PWs) bands (ev): -12.6779 -12.6779 -12.1525 -12.1525 0.2485 0.2485 1.0392 1.0392 1.9864 1.9864 2.1088 2.1088 3.0711 3.0711 3.1763 3.1763 7.2204 7.2204 9.3471 9.3471 9.4726 9.4726 9.5197 9.5197 9.9634 9.9634 10.4210 10.4210 10.4472 10.4472 11.1877 11.1877 11.2769 11.2769 11.8009 11.8009 12.5749 12.5749 12.6366 12.6366 12.9209 12.9209 12.9920 12.9920 13.1949 13.1949 13.4854 13.4854 13.6377 13.6377 13.7150 13.7150 14.0760 14.0760 14.6779 14.6779 14.7624 14.7624 14.9338 14.9338 15.3077 15.3077 15.5205 15.5205 15.6673 15.6673 16.3959 16.3959 16.6169 16.6169 17.8488 17.8488 k = 0.0785 0.0453 0.1282 ( 3723 PWs) bands (ev): -12.6818 -12.6818 -12.1484 -12.1484 0.2441 0.2441 1.0561 1.0561 1.9885 1.9885 2.0894 2.0894 3.0848 3.0848 3.1717 3.1717 7.1811 7.1811 9.3309 9.3309 9.4587 9.4587 9.4976 9.4976 9.9264 9.9264 10.4132 10.4132 10.4339 10.4339 11.2118 11.2118 11.2857 11.2857 11.8130 11.8130 12.6014 12.6014 12.6535 12.6535 12.9352 12.9352 13.0012 13.0012 13.2136 13.2136 13.5113 13.5113 13.6521 13.6521 13.7177 13.7177 14.1647 14.1647 14.7225 14.7225 14.7652 14.7652 14.9948 14.9948 15.2915 15.2915 15.4878 15.4878 15.7075 15.7075 16.3457 16.3457 16.5606 16.5606 17.8479 17.8479 k = 0.0698 0.0403 0.1139 ( 3721 PWs) bands (ev): -12.6854 -12.6854 -12.1446 -12.1446 0.2401 0.2401 1.0718 1.0718 1.9903 1.9903 2.0713 2.0713 3.0976 3.0976 3.1677 3.1677 7.1451 7.1451 9.3159 9.3159 9.4460 9.4460 9.4774 9.4774 9.8930 9.8930 10.4061 10.4061 10.4221 10.4221 11.2342 11.2342 11.2938 11.2938 11.8246 11.8246 12.6251 12.6251 12.6689 12.6689 12.9505 12.9505 13.0095 13.0095 13.2308 13.2308 13.5357 13.5357 13.6658 13.6658 13.7194 13.7194 14.2401 14.2401 14.6834 14.6834 14.8469 14.8469 15.0538 15.0538 15.2782 15.2782 15.4620 15.4620 15.7554 15.7554 16.2975 16.2975 16.5034 16.5034 17.8436 17.8436 k = 0.0610 0.0352 0.0997 ( 3737 PWs) bands (ev): -12.6885 -12.6885 -12.1413 -12.1413 0.2365 0.2365 1.0862 1.0862 1.9919 1.9919 2.0548 2.0548 3.1095 3.1095 3.1641 3.1641 7.1128 7.1128 9.3022 9.3022 9.4348 9.4348 9.4592 9.4592 9.8633 9.8633 10.3998 10.3998 10.4118 10.4118 11.2545 11.2545 11.3010 11.3010 11.8356 11.8356 12.6461 12.6461 12.6825 12.6825 12.9664 12.9664 13.0169 13.0169 13.2464 13.2464 13.5581 13.5581 13.6786 13.6786 13.7206 13.7206 14.3007 14.3007 14.6374 14.6374 14.9326 14.9326 15.1044 15.1044 15.2750 15.2750 15.4466 15.4466 15.8019 15.8019 16.2526 16.2526 16.4458 16.4458 17.8353 17.8353 k = 0.0523 0.0302 0.0854 ( 3729 PWs) bands (ev): -12.6912 -12.6912 -12.1384 -12.1384 0.2333 0.2333 1.0992 1.0992 1.9932 1.9932 2.0401 2.0401 3.1203 3.1203 3.1610 3.1610 7.0842 7.0842 9.2900 9.2900 9.4250 9.4250 9.4431 9.4431 9.8374 9.8374 10.3943 10.3943 10.4030 10.4030 11.2726 11.2726 11.3073 11.3073 11.8457 11.8457 12.6648 12.6648 12.6938 12.6938 12.9825 12.9825 13.0235 13.0235 13.2604 13.2604 13.5783 13.5783 13.6904 13.6904 13.7217 13.7217 14.3465 14.3465 14.5902 14.5902 15.0170 15.0170 15.1377 15.1377 15.2911 15.2911 15.4418 15.4418 15.8413 15.8413 16.2134 16.2134 16.3886 16.3886 17.8230 17.8230 k = 0.0436 0.0252 0.0712 ( 3715 PWs) bands (ev): -12.6936 -12.6936 -12.1359 -12.1359 0.2305 0.2305 1.1105 1.1105 1.9943 1.9943 2.0272 2.0272 3.1297 3.1297 3.1584 3.1584 7.0597 7.0597 9.2793 9.2793 9.4167 9.4167 9.4293 9.4293 9.8155 9.8155 10.3897 10.3897 10.3956 10.3956 11.2883 11.2883 11.3127 11.3127 11.8547 11.8547 12.6811 12.6811 12.7028 12.7028 12.9983 12.9983 13.0292 13.0292 13.2729 13.2729 13.5957 13.5957 13.7010 13.7010 13.7229 13.7229 14.3788 14.3788 14.5448 14.5448 15.0960 15.0960 15.1521 15.1521 15.3283 15.3283 15.4460 15.4460 15.8693 15.8693 16.1828 16.1828 16.3328 16.3328 17.8070 17.8070 k = 0.0349 0.0201 0.0570 ( 3711 PWs) bands (ev): -12.6955 -12.6955 -12.1339 -12.1339 0.2282 0.2282 1.1201 1.1201 1.9952 1.9952 2.0164 2.0164 3.1377 3.1377 3.1563 3.1563 7.0394 7.0394 9.2702 9.2702 9.4098 9.4098 9.4180 9.4180 9.7975 9.7975 10.3858 10.3858 10.3895 10.3895 11.3013 11.3013 11.3171 11.3171 11.8623 11.8623 12.6949 12.6949 12.7097 12.7097 13.0128 13.0128 13.0339 13.0339 13.2836 13.2836 13.6101 13.6101 13.7103 13.7103 13.7244 13.7244 14.3996 14.3996 14.5038 14.5038 15.1518 15.1518 15.1707 15.1707 15.3758 15.3758 15.4568 15.4568 15.8827 15.8827 16.1637 16.1637 16.2801 16.2801 17.7885 17.7885 k = 0.0262 0.0151 0.0427 ( 3707 PWs) bands (ev): -12.6970 -12.6970 -12.1323 -12.1323 0.2264 0.2264 1.1277 1.1277 1.9958 1.9958 2.0079 2.0079 3.1441 3.1441 3.1546 3.1546 7.0235 7.0235 9.2630 9.2630 9.4045 9.4045 9.4091 9.4091 9.7835 9.7835 10.3828 10.3828 10.3849 10.3849 11.3116 11.3116 11.3205 11.3205 11.8684 11.8684 12.7060 12.7060 12.7148 12.7148 13.0252 13.0252 13.0377 13.0377 13.2923 13.2923 13.6213 13.6213 13.7180 13.7180 13.7259 13.7259 14.4118 14.4118 14.4694 14.4694 15.1549 15.1549 15.2269 15.2269 15.4234 15.4234 15.4713 15.4713 15.8822 15.8822 16.1562 16.1562 16.2329 16.2329 17.7699 17.7699 k = 0.0174 0.0101 0.0285 ( 3711 PWs) bands (ev): -12.6981 -12.6981 -12.1312 -12.1312 0.2252 0.2252 1.1332 1.1332 1.9963 1.9963 2.0017 2.0017 3.1487 3.1487 3.1534 3.1534 7.0120 7.0120 9.2578 9.2578 9.4006 9.4006 9.4027 9.4027 9.7735 9.7735 10.3806 10.3806 10.3815 10.3815 11.3190 11.3190 11.3230 11.3230 11.8729 11.8729 12.7141 12.7141 12.7182 12.7182 13.0347 13.0347 13.0405 13.0405 13.2987 13.2987 13.6292 13.6292 13.7238 13.7238 13.7273 13.7273 14.4181 14.4181 14.4433 14.4433 15.1554 15.1554 15.2705 15.2705 15.4640 15.4640 15.4861 15.4861 15.8734 15.8734 16.1562 16.1562 16.1945 16.1945 17.7537 17.7537 k = 0.0087 0.0050 0.0142 ( 3717 PWs) bands (ev): -12.6987 -12.6987 -12.1305 -12.1305 0.2244 0.2244 1.1365 1.1365 1.9965 1.9965 1.9979 1.9979 3.1515 3.1515 3.1527 3.1527 7.0050 7.0050 9.2546 9.2546 9.3983 9.3983 9.3989 9.3989 9.7676 9.7676 10.3793 10.3793 10.3795 10.3795 11.3234 11.3234 11.3244 11.3244 11.8756 11.8756 12.7191 12.7191 12.7201 12.7201 13.0407 13.0407 13.0422 13.0422 13.3026 13.3026 13.6338 13.6338 13.7275 13.7275 13.7284 13.7284 14.4208 14.4208 14.4271 14.4271 15.1556 15.1556 15.2976 15.2976 15.4915 15.4915 15.4972 15.4972 15.8641 15.8641 16.1586 16.1586 16.1688 16.1688 17.7426 17.7426 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -12.6989 -12.6989 -12.1303 -12.1303 0.2241 0.2241 1.1377 1.1377 1.9966 1.9966 1.9966 1.9966 3.1525 3.1525 3.1525 3.1525 7.0027 7.0027 9.2535 9.2535 9.3976 9.3976 9.3976 9.3976 9.7656 9.7656 10.3789 10.3789 10.3789 10.3789 11.3249 11.3249 11.3250 11.3250 11.8765 11.8765 12.7207 12.7207 12.7208 12.7208 13.0427 13.0427 13.0428 13.0428 13.3040 13.3040 13.6354 13.6354 13.7287 13.7287 13.7288 13.7288 14.4215 14.4215 14.4215 14.4215 15.1557 15.1557 15.3068 15.3068 15.5013 15.5013 15.5014 15.5014 15.8602 15.8602 16.1598 16.1598 16.1598 16.1598 17.7387 17.7387 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -12.6989 -12.6989 -12.1303 -12.1303 0.2241 0.2241 1.1377 1.1377 1.9966 1.9966 1.9966 1.9966 3.1525 3.1525 3.1525 3.1525 7.0027 7.0027 9.2535 9.2535 9.3976 9.3976 9.3976 9.3976 9.7656 9.7656 10.3789 10.3789 10.3789 10.3789 11.3249 11.3249 11.3250 11.3250 11.8765 11.8765 12.7207 12.7207 12.7208 12.7208 13.0427 13.0427 13.0428 13.0428 13.3040 13.3040 13.6354 13.6354 13.7287 13.7287 13.7288 13.7288 14.4215 14.4215 14.4215 14.4215 15.1557 15.1557 15.3068 15.3068 15.5013 15.5013 15.5014 15.5014 15.8602 15.8602 16.1598 16.1598 16.1598 16.1598 17.7387 17.7387 k = 0.0143 0.0082 0.0058 ( 3713 PWs) bands (ev): -12.6987 -12.6987 -12.1305 -12.1305 0.2244 0.2244 1.1365 1.1365 1.9964 1.9964 1.9980 1.9980 3.1515 3.1515 3.1528 3.1528 7.0051 7.0051 9.2546 9.2546 9.3986 9.3986 9.3986 9.3986 9.7676 9.7676 10.3794 10.3794 10.3795 10.3795 11.3237 11.3237 11.3242 11.3242 11.8756 11.8756 12.7194 12.7194 12.7198 12.7198 13.0406 13.0406 13.0423 13.0423 13.3026 13.3026 13.6338 13.6338 13.7274 13.7274 13.7284 13.7284 14.4217 14.4217 14.4262 14.4262 15.1556 15.1556 15.2975 15.2975 15.4915 15.4915 15.4972 15.4972 15.8641 15.8641 16.1583 16.1583 16.1692 16.1692 17.7427 17.7427 k = 0.0286 0.0165 0.0117 ( 3713 PWs) bands (ev): -12.6981 -12.6981 -12.1312 -12.1312 0.2252 0.2252 1.1332 1.1332 1.9959 1.9959 2.0020 2.0020 3.1485 3.1485 3.1536 3.1536 7.0120 7.0120 9.2578 9.2578 9.4016 9.4016 9.4018 9.4018 9.7736 9.7736 10.3810 10.3810 10.3812 10.3812 11.3199 11.3199 11.3220 11.3220 11.8728 11.8728 12.7155 12.7155 12.7168 12.7168 13.0342 13.0342 13.0409 13.0409 13.2986 13.2986 13.6291 13.6291 13.7237 13.7237 13.7274 13.7274 14.4217 14.4217 14.4397 14.4397 15.1558 15.1558 15.2702 15.2702 15.4636 15.4636 15.4859 15.4859 15.8736 15.8736 16.1551 16.1551 16.1957 16.1957 17.7538 17.7538 k = 0.0429 0.0247 0.0175 ( 3707 PWs) bands (ev): -12.6970 -12.6970 -12.1323 -12.1323 0.2265 0.2265 1.1276 1.1276 1.9950 1.9950 2.0087 2.0087 3.1435 3.1435 3.1551 3.1551 7.0236 7.0236 9.2632 9.2632 9.4065 9.4065 9.4071 9.4071 9.7837 9.7837 10.3835 10.3835 10.3842 10.3842 11.3137 11.3137 11.3183 11.3183 11.8683 11.8683 12.7088 12.7088 12.7118 12.7118 13.0243 13.0243 13.0386 13.0386 13.2920 13.2920 13.6211 13.6211 13.7181 13.7181 13.7258 13.7258 14.4199 14.4199 14.4608 14.4608 15.1574 15.1574 15.2259 15.2259 15.4227 15.4227 15.4700 15.4700 15.8828 15.8828 16.1542 16.1542 16.2352 16.2352 17.7702 17.7702 k = 0.0571 0.0330 0.0233 ( 3707 PWs) bands (ev): -12.6955 -12.6955 -12.1339 -12.1339 0.2283 0.2283 1.1200 1.1200 1.9938 1.9938 2.0179 2.0179 3.1368 3.1368 3.1571 3.1571 7.0396 7.0396 9.2705 9.2705 9.4133 9.4133 9.4144 9.4144 9.7978 9.7978 10.3872 10.3872 10.3883 10.3883 11.3050 11.3050 11.3132 11.3132 11.8620 11.8620 12.6993 12.6993 12.7048 12.7048 13.0117 13.0117 13.0353 13.0353 13.2830 13.2830 13.6095 13.6095 13.7113 13.7113 13.7236 13.7236 14.4138 14.4138 14.4876 14.4876 15.1574 15.1574 15.1708 15.1708 15.3743 15.3743 15.4524 15.4524 15.8850 15.8850 16.1607 16.1607 16.2832 16.2832 17.7893 17.7893 k = 0.0714 0.0412 0.0292 ( 3716 PWs) bands (ev): -12.6935 -12.6935 -12.1360 -12.1360 0.2306 0.2306 1.1104 1.1104 1.9923 1.9923 2.0295 2.0295 3.1283 3.1283 3.1597 3.1597 7.0601 7.0601 9.2799 9.2799 9.4219 9.4219 9.4237 9.4237 9.8159 9.8159 10.3919 10.3919 10.3936 10.3936 11.2940 11.2940 11.3068 11.3068 11.8540 11.8540 12.6869 12.6869 12.6960 12.6960 12.9971 12.9971 13.0310 13.0310 13.2719 13.2719 13.5943 13.5943 13.7040 13.7040 13.7208 13.7208 14.4011 14.4011 14.5168 14.5168 15.0899 15.0899 15.1747 15.1747 15.3242 15.3242 15.4348 15.4348 15.8758 15.8758 16.1781 16.1781 16.3360 16.3360 17.8083 17.8083 k = 0.0857 0.0495 0.0350 ( 3728 PWs) bands (ev): -12.6912 -12.6912 -12.1385 -12.1385 0.2333 0.2333 1.0990 1.0990 1.9904 1.9904 2.0433 2.0433 3.1184 3.1184 3.1627 3.1627 7.0847 7.0847 9.2911 9.2911 9.4321 9.4321 9.4350 9.4350 9.8381 9.8381 10.3977 10.3977 10.4001 10.4001 11.2806 11.2806 11.2991 11.2991 11.8444 11.8444 12.6716 12.6716 12.6853 12.6853 12.9817 12.9817 13.0257 13.0257 13.2587 13.2587 13.5755 13.5755 13.6965 13.6965 13.7172 13.7172 14.3795 14.3795 14.5443 14.5443 15.0035 15.0035 15.1928 15.1928 15.2781 15.2781 15.4186 15.4186 15.8559 15.8559 16.2060 16.2060 16.3910 16.3910 17.8252 17.8252 k = 0.1000 0.0577 0.0408 ( 3737 PWs) bands (ev): -12.6885 -12.6885 -12.1414 -12.1414 0.2365 0.2365 1.0859 1.0859 1.9883 1.9883 2.0590 2.0590 3.1071 3.1071 3.1663 3.1663 7.1133 7.1133 9.3041 9.3041 9.4439 9.4439 9.4482 9.4482 9.8643 9.8643 10.4046 10.4046 10.4079 10.4079 11.2649 11.2649 11.2904 11.2904 11.8333 11.8333 12.6535 12.6535 12.6727 12.6727 12.9661 12.9661 13.0192 13.0192 13.2439 13.2439 13.5534 13.5534 13.6890 13.6890 13.7129 13.7129 14.3478 14.3478 14.5643 14.5643 14.9064 14.9064 15.2193 15.2193 15.2425 15.2425 15.4042 15.4042 15.8292 15.8292 16.2410 16.2410 16.4465 16.4465 17.8386 17.8386 k = 0.1143 0.0660 0.0467 ( 3728 PWs) bands (ev): -12.6853 -12.6853 -12.1447 -12.1447 0.2402 0.2402 1.0714 1.0714 1.9859 1.9859 2.0766 2.0766 3.0947 3.0947 3.1703 3.1703 7.1457 7.1457 9.3187 9.3187 9.4571 9.4571 9.4632 9.4632 9.8945 9.8945 10.4126 10.4126 10.4169 10.4169 11.2471 11.2471 11.2807 11.2807 11.8208 11.8208 12.6328 12.6328 12.6582 12.6582 12.9510 12.9510 13.0115 13.0115 13.2277 13.2277 13.5281 13.5281 13.6816 13.6816 13.7076 13.7076 14.3056 14.3056 14.5706 14.5706 14.8011 14.8011 15.2241 15.2241 15.2534 15.2534 15.3919 15.3919 15.8002 15.8002 16.2800 16.2800 16.5011 16.5011 17.8481 17.8481 k = 0.1286 0.0742 0.0525 ( 3731 PWs) bands (ev): -12.6818 -12.6818 -12.1484 -12.1484 0.2442 0.2442 1.0556 1.0556 1.9832 1.9832 2.0957 2.0957 3.0814 3.0814 3.1747 3.1747 7.1817 7.1817 9.3349 9.3349 9.4717 9.4717 9.4800 9.4800 9.9285 9.9285 10.4218 10.4218 10.4272 10.4272 11.2273 11.2273 11.2702 11.2702 11.8071 11.8071 12.6097 12.6097 12.6417 12.6417 12.9367 12.9367 13.0024 13.0024 13.2104 13.2104 13.5000 13.5000 13.6741 13.6741 13.7012 13.7012 14.2534 14.2534 14.5586 14.5586 14.6897 14.6897 15.2278 15.2278 15.2923 15.2923 15.3830 15.3830 15.7731 15.7731 16.3203 16.3203 16.5538 16.5538 17.8540 17.8540 k = 0.1429 0.0825 0.0583 ( 3731 PWs) bands (ev): -12.6779 -12.6779 -12.1525 -12.1525 0.2487 0.2487 1.0386 1.0386 1.9804 1.9804 2.1161 2.1161 3.0675 3.0675 3.1794 3.1794 7.2210 7.2210 9.3524 9.3524 9.4875 9.4875 9.4983 9.4983 9.9662 9.9662 10.4322 10.4322 10.4387 10.4387 11.2055 11.2055 11.2591 11.2591 11.7922 11.7922 12.5846 12.5846 12.6232 12.6232 12.9233 12.9233 12.9919 12.9919 13.1922 13.1922 13.4694 13.4694 13.6662 13.6662 13.6932 13.6932 14.1917 14.1917 14.5276 14.5276 14.5748 14.5748 15.2541 15.2541 15.3269 15.3269 15.3836 15.3836 15.7515 15.7515 16.3603 16.3603 16.6041 16.6041 17.8569 17.8569 k = 0.1571 0.0907 0.0642 ( 3731 PWs) bands (ev): -12.6736 -12.6736 -12.1570 -12.1570 0.2534 0.2534 1.0206 1.0206 1.9774 1.9774 2.1377 2.1377 3.0532 3.0532 3.1844 3.1844 7.2634 7.2634 9.3712 9.3712 9.5045 9.5045 9.5180 9.5180 10.0073 10.0073 10.4438 10.4438 10.4517 10.4517 11.1819 11.1819 11.2476 11.2476 11.7765 11.7765 12.5579 12.5579 12.6024 12.6024 12.9110 12.9110 12.9797 12.9797 13.1734 13.1734 13.4366 13.4366 13.6576 13.6576 13.6832 13.6832 14.1208 14.1208 14.4596 14.4596 14.4813 14.4813 15.2996 15.2996 15.3386 15.3386 15.4085 15.4085 15.7396 15.7396 16.3987 16.3987 16.6512 16.6512 17.8576 17.8576 k = 0.1714 0.0990 0.0700 ( 3716 PWs) bands (ev): -12.6691 -12.6691 -12.1618 -12.1618 0.2585 0.2585 1.0017 1.0017 1.9743 1.9743 2.1602 2.1602 3.0388 3.0388 3.1897 3.1897 7.3086 7.3086 9.3912 9.3912 9.5226 9.5226 9.5391 9.5391 10.0516 10.0516 10.4569 10.4569 10.4660 10.4660 11.1568 11.1568 11.2359 11.2359 11.7600 11.7600 12.5301 12.5301 12.5793 12.5793 12.8995 12.8995 12.9656 12.9656 13.1538 13.1538 13.4021 13.4021 13.6475 13.6475 13.6706 13.6706 14.0409 14.0409 14.3477 14.3477 14.4248 14.4248 15.3352 15.3352 15.3595 15.3595 15.4448 15.4448 15.7420 15.7420 16.4346 16.4346 16.6951 16.6951 17.8570 17.8570 k = 0.1857 0.1072 0.0758 ( 3704 PWs) bands (ev): -12.6642 -12.6642 -12.1670 -12.1670 0.2639 0.2639 0.9822 0.9822 1.9710 1.9710 2.1833 2.1833 3.0244 3.0244 3.1952 3.1952 7.3562 7.3562 9.4120 9.4120 9.5417 9.5417 9.5612 9.5612 10.0988 10.0988 10.4713 10.4713 10.4817 10.4817 11.1302 11.1302 11.2241 11.2241 11.7430 11.7430 12.5014 12.5014 12.5534 12.5534 12.8888 12.8888 12.9492 12.9492 13.1336 13.1336 13.3664 13.3664 13.6342 13.6342 13.6545 13.6545 13.9527 13.9527 14.2425 14.2425 14.3631 14.3631 15.3294 15.3294 15.4291 15.4291 15.4756 15.4756 15.7627 15.7627 16.4673 16.4673 16.7353 16.7353 17.8560 17.8560 k = 0.2000 0.1155 0.0816 ( 3705 PWs) bands (ev): -12.6590 -12.6590 -12.1724 -12.1724 0.2696 0.2696 0.9621 0.9621 1.9677 1.9677 2.2068 2.2068 3.0104 3.0104 3.2008 3.2008 7.4061 7.4061 9.4337 9.4337 9.5619 9.5619 9.5843 9.5843 10.1485 10.1485 10.4872 10.4872 10.4989 10.4989 11.1024 11.1024 11.2126 11.2126 11.7257 11.7257 12.4723 12.4723 12.5247 12.5247 12.8786 12.8786 12.9299 12.9299 13.1126 13.1126 13.3303 13.3303 13.6135 13.6135 13.6338 13.6338 13.8605 13.8605 14.1467 14.1467 14.3003 14.3003 15.3240 15.3240 15.4968 15.4968 15.5050 15.5050 15.8022 15.8022 16.4963 16.4963 16.7719 16.7719 17.8554 17.8554 k = 0.2143 0.1237 0.0875 ( 3708 PWs) bands (ev): -12.6535 -12.6535 -12.1782 -12.1782 0.2755 0.2755 0.9416 0.9416 1.9643 1.9643 2.2306 2.2306 2.9970 2.9970 3.2066 3.2066 7.4578 7.4578 9.4561 9.4561 9.5830 9.5830 9.6082 9.6082 10.2005 10.2005 10.5047 10.5047 10.5176 10.5176 11.0736 11.0736 11.2015 11.2015 11.7083 11.7083 12.4430 12.4430 12.4929 12.4929 12.8687 12.8687 12.9069 12.9069 13.0905 13.0905 13.2949 13.2949 13.5750 13.5750 13.6074 13.6074 13.7766 13.7766 14.0609 14.0609 14.2398 14.2398 15.3201 15.3201 15.5106 15.5106 15.5844 15.5844 15.8563 15.8563 16.5213 16.5213 16.8050 16.8050 17.8561 17.8561 k = 0.2286 0.1320 0.0933 ( 3708 PWs) bands (ev): -12.6478 -12.6478 -12.1841 -12.1841 0.2815 0.2815 0.9209 0.9209 1.9609 1.9609 2.2542 2.2542 2.9843 2.9843 3.2123 3.2123 7.5111 7.5111 9.4791 9.4791 9.6052 9.6052 9.6325 9.6325 10.2542 10.2542 10.5239 10.5239 10.5379 10.5379 11.0441 11.0441 11.1912 11.1912 11.6910 11.6910 12.4136 12.4136 12.4580 12.4580 12.8590 12.8590 12.8785 12.8785 13.0676 13.0676 13.2610 13.2610 13.5037 13.5037 13.5740 13.5740 13.7192 13.7192 13.9843 13.9843 14.1843 14.1843 15.3182 15.3182 15.5213 15.5213 15.6652 15.6652 15.9193 15.9193 16.5422 16.5422 16.8350 16.8350 17.8587 17.8587 k = 0.2429 0.1402 0.0991 ( 3711 PWs) bands (ev): -12.6419 -12.6419 -12.1903 -12.1903 0.2878 0.2878 0.8999 0.8999 1.9575 1.9575 2.2776 2.2776 2.9726 2.9726 3.2181 3.2181 7.5656 7.5656 9.5024 9.5024 9.6283 9.6283 9.6570 9.6570 10.3093 10.3093 10.5450 10.5450 10.5598 10.5598 11.0142 11.0142 11.1818 11.1818 11.6739 11.6739 12.3844 12.3844 12.4197 12.4197 12.8429 12.8429 12.8492 12.8492 13.0441 13.0441 13.2291 13.2291 13.4041 13.4041 13.5329 13.5329 13.6882 13.6882 13.9158 13.9158 14.1359 14.1359 15.3182 15.3182 15.5322 15.5322 15.7455 15.7455 15.9868 15.9868 16.5592 16.5592 16.8623 16.8623 17.8638 17.8638 k = 0.2571 0.1485 0.1050 ( 3717 PWs) bands (ev): -12.6358 -12.6358 -12.1967 -12.1967 0.2942 0.2942 0.8789 0.8789 1.9541 1.9541 2.3005 2.3005 2.9620 2.9620 3.2239 3.2239 7.6209 7.6209 9.5260 9.5260 9.6524 9.6524 9.6815 9.6815 10.3653 10.3653 10.5680 10.5680 10.5833 10.5833 10.9841 10.9841 11.1736 11.1736 11.6573 11.6573 12.3554 12.3554 12.3780 12.3780 12.7978 12.7978 12.8389 12.8389 13.0211 13.0211 13.1960 13.1960 13.2964 13.2964 13.4839 13.4839 13.6701 13.6701 13.8546 13.8546 14.0958 14.0958 15.3201 15.3201 15.5453 15.5453 15.8236 15.8236 16.0555 16.0555 16.5726 16.5726 16.8878 16.8878 17.8721 17.8721 k = 0.2714 0.1567 0.1108 ( 3714 PWs) bands (ev): -12.6295 -12.6295 -12.2032 -12.2032 0.3008 0.3008 0.8580 0.8580 1.9508 1.9508 2.3225 2.3225 2.9527 2.9527 3.2295 3.2295 7.6767 7.6767 9.5498 9.5498 9.6775 9.6775 9.7058 9.7058 10.4217 10.4217 10.5931 10.5931 10.6083 10.6083 10.9543 10.9543 11.1669 11.1669 11.6412 11.6412 12.3269 12.3269 12.3330 12.3330 12.7414 12.7414 12.8277 12.8277 12.9991 12.9991 13.1394 13.1394 13.2143 13.2143 13.4279 13.4279 13.6567 13.6567 13.8008 13.8008 14.0639 14.0639 15.3234 15.3234 15.5621 15.5621 15.8979 15.8979 16.1228 16.1228 16.5830 16.5830 16.9123 16.9123 17.8837 17.8837 k = 0.2857 0.1650 0.1166 ( 3714 PWs) bands (ev): -12.6232 -12.6232 -12.2098 -12.2098 0.3074 0.3074 0.8373 0.8373 1.9476 1.9476 2.3436 2.3436 2.9448 2.9448 3.2351 3.2351 7.7324 7.7324 9.5735 9.5735 9.7036 9.7036 9.7296 9.7296 10.4779 10.4779 10.6205 10.6205 10.6348 10.6348 10.9250 10.9250 11.1619 11.1619 11.6259 11.6259 12.2846 12.2846 12.2987 12.2987 12.6728 12.6728 12.8151 12.8151 12.9760 12.9760 13.0449 13.0449 13.1801 13.1801 13.3667 13.3667 13.6439 13.6439 13.7550 13.7550 14.0396 14.0396 15.3276 15.3276 15.5834 15.5834 15.9668 15.9668 16.1865 16.1865 16.5917 16.5917 16.9371 16.9371 17.8989 17.8989 k = 0.3000 0.1732 0.1225 ( 3705 PWs) bands (ev): -12.6168 -12.6168 -12.2165 -12.2165 0.3141 0.3141 0.8169 0.8169 1.9445 1.9445 2.3634 2.3634 2.9384 2.9384 3.2404 3.2404 7.7877 7.7877 9.5971 9.5971 9.7309 9.7309 9.7525 9.7525 10.5333 10.5333 10.6502 10.6502 10.6626 10.6626 10.8967 10.8967 11.1591 11.1591 11.6114 11.6114 12.2326 12.2326 12.2710 12.2710 12.5924 12.5924 12.8003 12.8003 12.9221 12.9221 12.9784 12.9784 13.1604 13.1604 13.3027 13.3027 13.6283 13.6283 13.7190 13.7190 14.0218 14.0218 15.3322 15.3322 15.6098 15.6098 16.0289 16.0289 16.2442 16.2442 16.6002 16.6002 16.9633 16.9633 17.9177 17.9177 k = 0.3143 0.1815 0.1283 ( 3705 PWs) bands (ev): -12.6103 -12.6103 -12.2232 -12.2232 0.3209 0.3209 0.7970 0.7970 1.9415 1.9415 2.3818 2.3818 2.9336 2.9336 3.2456 3.2456 7.8420 7.8420 9.6203 9.6203 9.7595 9.7595 9.7745 9.7745 10.5872 10.5872 10.6822 10.6822 10.6914 10.6914 10.8700 10.8700 11.1587 11.1587 11.5977 11.5977 12.1769 12.1769 12.2438 12.2438 12.5025 12.5025 12.7823 12.7823 12.8302 12.8302 12.9573 12.9573 13.1452 13.1452 13.2385 13.2385 13.6078 13.6078 13.6941 13.6941 14.0092 14.0092 15.3368 15.3368 15.6413 15.6413 16.0831 16.0831 16.2936 16.2936 16.6105 16.6105 16.9918 16.9918 17.9400 17.9400 k = 0.3286 0.1897 0.1341 ( 3711 PWs) bands (ev): -12.6040 -12.6040 -12.2298 -12.2298 0.3276 0.3276 0.7776 0.7776 1.9387 1.9387 2.3987 2.3987 2.9303 2.9303 3.2504 3.2504 7.8949 7.8949 9.6428 9.6428 9.7897 9.7897 9.7953 9.7953 10.6389 10.6389 10.7159 10.7159 10.7207 10.7207 10.8458 10.8458 11.1611 11.1611 11.5848 11.5848 12.1172 12.1172 12.2171 12.2171 12.4069 12.4069 12.7398 12.7398 12.7597 12.7597 12.9431 12.9431 13.1326 13.1326 13.1770 13.1770 13.5834 13.5834 13.6790 13.6790 14.0006 14.0006 15.3410 15.3410 15.6776 15.6776 16.1285 16.1285 16.3325 16.3325 16.6248 16.6248 17.0232 17.0232 17.9653 17.9653 k = 0.3429 0.1979 0.1400 ( 3717 PWs) bands (ev): -12.5976 -12.5976 -12.2363 -12.2363 0.3344 0.3344 0.7589 0.7589 1.9360 1.9360 2.4139 2.4139 2.9285 2.9285 3.2551 3.2551 7.9459 7.9459 9.6644 9.6644 9.8147 9.8147 9.8217 9.8217 10.6878 10.6878 10.7486 10.7486 10.7501 10.7501 10.8272 10.8272 11.1669 11.1669 11.5728 11.5728 12.0528 12.0528 12.1909 12.1909 12.3102 12.3102 12.6543 12.6543 12.7310 12.7310 12.9309 12.9309 13.1211 13.1211 13.1217 13.1217 13.5581 13.5581 13.6698 13.6698 13.9952 13.9952 15.3449 15.3449 15.7181 15.7181 16.1649 16.1649 16.3597 16.3597 16.6446 16.6446 17.0578 17.0578 17.9932 17.9932 k = 0.3571 0.2062 0.1458 ( 3711 PWs) bands (ev): -12.5915 -12.5915 -12.2427 -12.2427 0.3411 0.3411 0.7409 0.7409 1.9336 1.9336 2.4274 2.4274 2.9281 2.9281 3.2594 3.2594 7.9944 7.9944 9.6848 9.6848 9.8325 9.8325 9.8559 9.8559 10.7320 10.7320 10.7699 10.7699 10.7789 10.7789 10.8254 10.8254 11.1764 11.1764 11.5614 11.5614 11.9836 11.9836 12.1650 12.1650 12.2172 12.2172 12.5733 12.5733 12.6953 12.6953 12.9201 12.9201 13.0733 13.0733 13.1122 13.1122 13.5345 13.5345 13.6640 13.6640 13.9921 13.9921 15.3482 15.3482 15.7620 15.7620 16.1927 16.1927 16.3758 16.3758 16.6693 16.6693 17.0952 17.0952 18.0231 18.0231 k = 0.3714 0.2144 0.1516 ( 3717 PWs) bands (ev): -12.5856 -12.5856 -12.2488 -12.2488 0.3476 0.3476 0.7240 0.7240 1.9313 1.9313 2.4392 2.4392 2.9288 2.9288 3.2633 3.2633 8.0399 8.0399 9.7037 9.7037 9.8487 9.8487 9.8923 9.8923 10.7520 10.7520 10.7890 10.7890 10.8061 10.8061 10.8497 10.8497 11.1903 11.1903 11.5504 11.5504 11.9103 11.9103 12.1313 12.1313 12.1394 12.1394 12.4961 12.4961 12.6525 12.6525 12.9102 12.9102 13.0346 13.0346 13.1038 13.1038 13.5133 13.5133 13.6600 13.6600 13.9907 13.9907 15.3510 15.3510 15.8082 15.8082 16.2128 16.2128 16.3832 16.3832 16.6971 16.6971 17.1343 17.1343 18.0542 18.0542 k = 0.3857 0.2227 0.1575 ( 3720 PWs) bands (ev): -12.5800 -12.5800 -12.2546 -12.2546 0.3540 0.3540 0.7081 0.7081 1.9292 1.9292 2.4493 2.4493 2.9305 2.9305 3.2669 3.2669 8.0820 8.0820 9.7209 9.7209 9.8633 9.8633 9.9311 9.9311 10.7420 10.7420 10.8289 10.8289 10.8311 10.8311 10.8810 10.8810 11.2088 11.2088 11.5396 11.5396 11.8358 11.8358 12.0536 12.0536 12.1139 12.1139 12.4225 12.4225 12.6043 12.6043 12.9011 12.9011 13.0048 13.0048 13.0964 13.0964 13.4951 13.4951 13.6572 13.6572 13.9906 13.9906 15.3534 15.3534 15.8553 15.8553 16.2263 16.2263 16.3851 16.3851 16.7255 16.7255 17.1740 17.1740 18.0855 18.0855 k = 0.4000 0.2309 0.1633 ( 3726 PWs) bands (ev): -12.5747 -12.5747 -12.2600 -12.2600 0.3600 0.3600 0.6934 0.6934 1.9274 1.9274 2.4578 2.4578 2.9329 2.9329 3.2702 3.2702 8.1201 8.1201 9.7362 9.7362 9.8760 9.8760 9.9721 9.9721 10.7292 10.7292 10.8532 10.8532 10.8702 10.8702 10.9092 10.9092 11.2318 11.2318 11.5285 11.5285 11.7651 11.7651 11.9840 11.9840 12.0882 12.0882 12.3527 12.3527 12.5533 12.5533 12.8928 12.8928 12.9827 12.9827 13.0900 13.0900 13.4797 13.4797 13.6552 13.6552 13.9913 13.9913 15.3555 15.3555 15.9017 15.9017 16.2346 16.2346 16.3841 16.3841 16.7526 16.7526 17.2128 17.2128 18.1163 18.1163 k = 0.4143 0.2392 0.1691 ( 3726 PWs) bands (ev): -12.5699 -12.5699 -12.2649 -12.2649 0.3657 0.3657 0.6801 0.6801 1.9257 1.9257 2.4648 2.4648 2.9357 2.9357 3.2730 3.2730 8.1539 8.1539 9.7495 9.7495 9.8871 9.8871 10.0147 10.0147 10.7181 10.7181 10.8719 10.8719 10.9069 10.9069 10.9325 10.9325 11.2589 11.2589 11.5168 11.5168 11.7039 11.7039 11.9213 11.9213 12.0622 12.0622 12.2873 12.2873 12.5027 12.5027 12.8853 12.8853 12.9664 12.9664 13.0844 13.0844 13.4669 13.4669 13.6537 13.6537 13.9925 13.9925 15.3571 15.3571 15.9456 15.9456 16.2390 16.2390 16.3821 16.3821 16.7771 16.7771 17.2493 17.2493 18.1454 18.1454 k = 0.4286 0.2474 0.1750 ( 3723 PWs) bands (ev): -12.5657 -12.5657 -12.2693 -12.2693 0.3709 0.3709 0.6684 0.6684 1.9243 1.9243 2.4704 2.4704 2.9387 2.9387 3.2754 3.2754 8.1829 8.1829 9.7607 9.7607 9.8963 9.8963 10.0579 10.0579 10.7098 10.7098 10.8872 10.8872 10.9236 10.9236 10.9620 10.9620 11.2889 11.2889 11.5050 11.5050 11.6568 11.6568 11.8649 11.8649 12.0359 12.0359 12.2271 12.2271 12.4554 12.4554 12.8788 12.8788 12.9546 12.9546 13.0797 13.0797 13.4567 13.4567 13.6526 13.6526 13.9939 13.9939 15.3585 15.3585 15.9855 15.9855 16.2406 16.2406 16.3807 16.3807 16.7981 16.7981 17.2823 17.2823 18.1721 18.1725 k = 0.4429 0.2557 0.1808 ( 3729 PWs) bands (ev): -12.5621 -12.5621 -12.2730 -12.2730 0.3755 0.3755 0.6585 0.6585 1.9232 1.9232 2.4748 2.4748 2.9415 2.9415 3.2774 3.2774 8.2071 8.2071 9.7698 9.7698 9.9039 9.9039 10.1000 10.1000 10.7051 10.7051 10.8992 10.8992 10.9181 10.9181 10.9973 10.9973 11.3199 11.3199 11.4949 11.4949 11.6248 11.6248 11.8152 11.8152 12.0097 12.0097 12.1735 12.1735 12.4140 12.4140 12.8732 12.8732 12.9461 12.9461 13.0759 13.0759 13.4486 13.4486 13.6518 13.6518 13.9954 13.9954 15.3596 15.3596 16.0195 16.0195 16.2407 16.2407 16.3806 16.3806 16.8152 16.8152 17.3106 17.3106 18.1788 18.1789 k = 0.4571 0.2639 0.1866 ( 3729 PWs) bands (ev): -12.5592 -12.5592 -12.2759 -12.2759 0.3792 0.3792 0.6505 0.6505 1.9223 1.9223 2.4781 2.4781 2.9440 2.9440 3.2790 3.2790 8.2260 8.2260 9.7769 9.7769 9.9097 9.9097 10.1385 10.1385 10.7045 10.7045 10.8989 10.8989 10.9081 10.9081 11.0299 11.0299 11.3495 11.3495 11.4888 11.4888 11.6055 11.6055 11.7732 11.7732 11.9849 11.9849 12.1282 12.1282 12.3804 12.3804 12.8688 12.8688 12.9401 12.9401 13.0730 13.0730 13.4426 13.4426 13.6513 13.6513 13.9967 13.9967 15.3605 15.3605 16.0465 16.0465 16.2398 16.2398 16.3818 16.3818 16.8285 16.8285 17.3335 17.3335 18.1834 18.1834 k = 0.4714 0.2722 0.1925 ( 3729 PWs) bands (ev): -12.5570 -12.5570 -12.2781 -12.2781 0.3820 0.3820 0.6446 0.6446 1.9217 1.9217 2.4803 2.4803 2.9459 2.9459 3.2801 3.2801 8.2397 8.2397 9.7819 9.7819 9.9138 9.9138 10.1702 10.1702 10.7078 10.7078 10.8734 10.8734 10.9142 10.9142 11.0563 11.0563 11.3746 11.3746 11.4869 11.4869 11.5949 11.5949 11.7406 11.7406 11.9638 11.9638 12.0933 12.0933 12.3559 12.3559 12.8655 12.8655 12.9362 12.9362 13.0708 13.0708 13.4384 13.4384 13.6510 13.6510 13.9977 13.9977 15.3610 15.3610 16.0658 16.0658 16.2388 16.2388 16.3838 16.3838 16.8378 16.8378 17.3503 17.3503 18.1869 18.1869 k = 0.4857 0.2804 0.1983 ( 3729 PWs) bands (ev): -12.5557 -12.5557 -12.2795 -12.2795 0.3838 0.3838 0.6410 0.6410 1.9213 1.9213 2.4817 2.4817 2.9471 2.9471 3.2808 3.2808 8.2479 8.2479 9.7849 9.7849 9.9163 9.9163 10.1913 10.1913 10.7132 10.7132 10.8507 10.8507 10.9177 10.9177 11.0736 11.0736 11.3915 11.3915 11.4872 11.4872 11.5898 11.5898 11.7198 11.7198 11.9492 11.9492 12.0710 12.0710 12.3411 12.3411 12.8635 12.8635 12.9339 12.9339 13.0696 13.0696 13.4360 13.4360 13.6508 13.6508 13.9984 13.9984 15.3614 15.3614 16.0773 16.0773 16.2380 16.2380 16.3857 16.3857 16.8434 16.8434 17.3605 17.3605 18.1890 18.1890 k = 0.5000 0.2887 0.2041 ( 3708 PWs) bands (ev): -12.5553 -12.5553 -12.2799 -12.2799 0.3844 0.3844 0.6398 0.6398 1.9212 1.9212 2.4821 2.4821 2.9475 2.9475 3.2810 3.2810 8.2506 8.2506 9.7859 9.7859 9.9171 9.9171 10.1988 10.1988 10.7162 10.7162 10.8412 10.8412 10.9189 10.9189 11.0796 11.0796 11.3976 11.3976 11.4876 11.4876 11.5883 11.5883 11.7127 11.7127 11.9440 11.9440 12.0634 12.0634 12.3361 12.3361 12.8629 12.8629 12.9332 12.9332 13.0692 13.0692 13.4352 13.4352 13.6507 13.6507 13.9986 13.9986 15.3615 15.3615 16.0811 16.0811 16.2377 16.2377 16.3864 16.3864 16.8452 16.8452 17.3639 17.3639 18.1898 18.1898 k = 0.5000 0.2887 0.2041 ( 3708 PWs) bands (ev): -12.5553 -12.5553 -12.2799 -12.2799 0.3844 0.3844 0.6398 0.6398 1.9212 1.9212 2.4821 2.4821 2.9475 2.9475 3.2810 3.2810 8.2506 8.2506 9.7859 9.7859 9.9171 9.9171 10.1988 10.1988 10.7162 10.7162 10.8412 10.8412 10.9189 10.9189 11.0796 11.0796 11.3976 11.3976 11.4876 11.4876 11.5883 11.5883 11.7127 11.7127 11.9440 11.9440 12.0634 12.0634 12.3361 12.3361 12.8629 12.8629 12.9332 12.9332 13.0692 13.0692 13.4352 13.4352 13.6507 13.6507 13.9986 13.9986 15.3615 15.3615 16.0811 16.0811 16.2377 16.2377 16.3864 16.3864 16.8452 16.8452 17.3639 17.3639 18.1898 18.1898 k = 0.5050 0.2742 0.2123 ( 3723 PWs) bands (ev): -12.5551 -12.5551 -12.2801 -12.2801 0.3843 0.3843 0.6398 0.6398 1.9209 1.9209 2.4828 2.4828 2.9467 2.9467 3.2816 3.2816 8.2521 8.2521 9.7867 9.7867 9.9179 9.9179 10.1995 10.1995 10.7140 10.7140 10.8404 10.8404 10.9189 10.9189 11.0802 11.0802 11.3917 11.3917 11.4942 11.4942 11.5875 11.5875 11.7120 11.7120 11.9437 11.9437 12.0660 12.0660 12.3365 12.3365 12.8616 12.8616 12.9329 12.9329 13.0699 13.0699 13.4353 13.4353 13.6494 13.6494 13.9979 13.9979 15.3543 15.3543 16.0700 16.0700 16.2409 16.2409 16.3841 16.3841 16.8598 16.8598 17.3710 17.3710 18.1889 18.1889 k = 0.5100 0.2598 0.2205 ( 3723 PWs) bands (ev): -12.5545 -12.5545 -12.2807 -12.2807 0.3840 0.3840 0.6397 0.6397 1.9203 1.9203 2.4850 2.4850 2.9442 2.9442 3.2833 3.2833 8.2566 8.2566 9.7887 9.7887 9.9200 9.9200 10.2015 10.2015 10.7077 10.7077 10.8378 10.8378 10.9187 10.9187 11.0817 11.0817 11.3778 11.3778 11.5099 11.5099 11.5851 11.5851 11.7103 11.7103 11.9431 11.9431 12.0736 12.0736 12.3379 12.3379 12.8578 12.8578 12.9319 12.9319 13.0721 13.0721 13.4357 13.4357 13.6456 13.6456 13.9958 13.9958 15.3332 15.3332 16.0351 16.0351 16.2514 16.2514 16.3832 16.3832 16.8971 16.8971 17.3928 17.3928 18.1852 18.1852 k = 0.5150 0.2454 0.2286 ( 3721 PWs) bands (ev): -12.5535 -12.5535 -12.2817 -12.2817 0.3835 0.3835 0.6395 0.6395 1.9192 1.9192 2.4885 2.4885 2.9403 2.9403 3.2860 3.2860 8.2641 8.2641 9.7920 9.7920 9.9238 9.9238 10.2049 10.2049 10.6979 10.6979 10.8334 10.8334 10.9181 10.9181 11.0838 11.0838 11.3611 11.3611 11.5289 11.5289 11.5818 11.5818 11.7077 11.7077 11.9425 11.9425 12.0855 12.0855 12.3403 12.3403 12.8522 12.8522 12.9299 12.9299 13.0755 13.0755 13.4362 13.4362 13.6393 13.6393 13.9923 13.9923 15.2995 15.2995 15.9768 15.9768 16.2705 16.2705 16.3921 16.3921 16.9443 16.9443 17.4305 17.4305 18.1758 18.1758 k = 0.5200 0.2309 0.2368 ( 3715 PWs) bands (ev): -12.5521 -12.5521 -12.2832 -12.2832 0.3829 0.3829 0.6393 0.6393 1.9177 1.9177 2.4933 2.4933 2.9349 2.9349 3.2895 3.2895 8.2745 8.2745 9.7961 9.7961 9.9295 9.9295 10.2096 10.2096 10.6852 10.6852 10.8272 10.8272 10.9167 10.9167 11.0861 11.0861 11.3445 11.3445 11.5463 11.5463 11.5795 11.5795 11.7050 11.7050 11.9423 11.9423 12.1009 12.1009 12.3437 12.3437 12.8453 12.8453 12.9266 12.9266 13.0800 13.0800 13.4368 13.4368 13.6307 13.6307 13.9874 13.9874 15.2550 15.2550 15.9009 15.9009 16.2978 16.2978 16.4127 16.4127 16.9914 16.9914 17.4847 17.4847 18.1591 18.1591 k = 0.5250 0.2165 0.2449 ( 3713 PWs) bands (ev): -12.5503 -12.5503 -12.2850 -12.2850 0.3822 0.3822 0.6389 0.6389 1.9160 1.9160 2.4992 2.4992 2.9285 2.9285 3.2938 3.2938 8.2879 8.2879 9.8007 9.8007 9.9374 9.9374 10.2156 10.2156 10.6703 10.6703 10.8192 10.8192 10.9142 10.9142 11.0877 11.0877 11.3294 11.3294 11.5550 11.5550 11.5836 11.5836 11.7032 11.7032 11.9429 11.9429 12.1191 12.1191 12.3483 12.3483 12.8378 12.8378 12.9217 12.9217 13.0852 13.0852 13.4375 13.4375 13.6200 13.6200 13.9812 13.9812 15.2017 15.2017 15.8145 15.8145 16.3322 16.3322 16.4429 16.4429 17.0332 17.0332 17.5538 17.5538 18.1366 18.1366 k = 0.5300 0.2021 0.2531 ( 3713 PWs) bands (ev): -12.5481 -12.5481 -12.2872 -12.2872 0.3814 0.3814 0.6383 0.6383 1.9140 1.9140 2.5060 2.5060 2.9211 2.9211 3.2987 3.2987 8.3041 8.3041 9.8054 9.8054 9.9479 9.9479 10.2229 10.2229 10.6536 10.6536 10.8096 10.8096 10.9106 10.9106 11.0878 11.0878 11.3165 11.3165 11.5536 11.5536 11.5936 11.5936 11.7040 11.7040 11.9442 11.9442 12.1393 12.1393 12.3544 12.3544 12.8301 12.8301 12.9152 12.9152 13.0908 13.0908 13.4380 13.4380 13.6074 13.6074 13.9735 13.9735 15.1411 15.1411 15.7233 15.7233 16.3722 16.3722 16.4801 16.4801 17.0692 17.0692 17.6340 17.6340 18.1109 18.1109 k = 0.5350 0.1876 0.2613 ( 3715 PWs) bands (ev): -12.5456 -12.5456 -12.2899 -12.2899 0.3806 0.3806 0.6376 0.6376 1.9119 1.9119 2.5137 2.5137 2.9132 2.9132 3.3040 3.3040 8.3231 8.3231 9.8096 9.8096 9.9613 9.9613 10.2314 10.2314 10.6356 10.6356 10.7985 10.7985 10.9061 10.9061 11.0856 11.0856 11.3060 11.3060 11.5491 11.5491 11.6009 11.6009 11.7091 11.7091 11.9462 11.9462 12.1609 12.1609 12.3620 12.3620 12.8226 12.8226 12.9070 12.9070 13.0966 13.0966 13.4382 13.4382 13.5931 13.5931 13.9643 13.9643 15.0747 15.0747 15.6313 15.6313 16.4161 16.4161 16.5226 16.5226 17.1009 17.1009 17.7196 17.7196 18.0855 18.0855 k = 0.5400 0.1732 0.2694 ( 3711 PWs) bands (ev): -12.5426 -12.5426 -12.2929 -12.2929 0.3798 0.3798 0.6366 0.6366 1.9097 1.9097 2.5218 2.5218 2.9049 2.9049 3.3095 3.3095 8.3447 8.3447 9.8129 9.8129 9.9778 9.9778 10.2411 10.2411 10.6165 10.6165 10.7864 10.7864 10.9008 10.9008 11.0810 11.0810 11.2976 11.2976 11.5445 11.5445 11.6026 11.6026 11.7189 11.7189 11.9491 11.9491 12.1833 12.1833 12.3714 12.3714 12.8155 12.8155 12.8972 12.8972 13.1024 13.1024 13.4377 13.4377 13.5774 13.5774 13.9535 13.9535 15.0038 15.0038 15.5412 15.5412 16.4624 16.4624 16.5688 16.5688 17.1306 17.1306 17.8022 17.8022 18.0664 18.0664 k = 0.5450 0.1588 0.2776 ( 3711 PWs) bands (ev): -12.5393 -12.5393 -12.2962 -12.2962 0.3790 0.3790 0.6354 0.6354 1.9075 1.9075 2.5302 2.5302 2.8967 2.8967 3.3151 3.3151 8.3690 8.3690 9.8153 9.8153 9.9975 9.9975 10.2519 10.2519 10.5962 10.5962 10.7736 10.7736 10.8951 10.8951 11.0739 11.0739 11.2907 11.2907 11.5405 11.5405 11.5993 11.5993 11.7320 11.7320 11.9529 11.9529 12.2057 12.2057 12.3827 12.3827 12.8090 12.8090 12.8862 12.8862 13.1079 13.1079 13.4363 13.4363 13.5607 13.5607 13.9411 13.9411 14.9293 14.9293 15.4551 15.4551 16.5092 16.5092 16.6179 16.6179 17.1602 17.1602 17.8660 17.8660 18.0676 18.0676 k = 0.5500 0.1443 0.2858 ( 3713 PWs) bands (ev): -12.5357 -12.5357 -12.3000 -12.3000 0.3784 0.3784 0.6339 0.6339 1.9053 1.9053 2.5385 2.5385 2.8887 2.8887 3.3207 3.3207 8.3958 8.3958 9.8163 9.8163 10.0203 10.0203 10.2639 10.2639 10.5749 10.5749 10.7605 10.7605 10.8892 10.8892 11.0649 11.0649 11.2844 11.2844 11.5373 11.5373 11.5931 11.5931 11.7462 11.7462 11.9579 11.9579 12.2276 12.2276 12.3957 12.3957 12.8028 12.8028 12.8744 12.8744 13.1132 13.1132 13.4333 13.4333 13.5432 13.5432 13.9268 13.9268 14.8523 14.8523 15.3747 15.3747 16.5548 16.5548 16.6689 16.6689 17.1914 17.1914 17.8918 17.8918 18.1067 18.1067 k = 0.5550 0.1299 0.2939 ( 3707 PWs) bands (ev): -12.5317 -12.5317 -12.3040 -12.3040 0.3779 0.3779 0.6321 0.6321 1.9034 1.9034 2.5465 2.5465 2.8814 2.8814 3.3260 3.3260 8.4249 8.4249 9.8160 9.8160 10.0460 10.0460 10.2768 10.2768 10.5526 10.5526 10.7478 10.7478 10.8834 10.8834 11.0546 11.0546 11.2779 11.2779 11.5343 11.5343 11.5860 11.5860 11.7596 11.7596 11.9647 11.9647 12.2484 12.2484 12.4103 12.4103 12.7961 12.7961 12.8629 12.8629 13.1182 13.1182 13.4283 13.4283 13.5253 13.5253 13.9107 13.9107 14.7737 14.7737 15.3017 15.3017 16.5976 16.5976 16.7208 16.7208 17.2254 17.2254 17.8884 17.8884 18.1731 18.1731 k = 0.5600 0.1155 0.3021 ( 3701 PWs) bands (ev): -12.5273 -12.5273 -12.3084 -12.3084 0.3776 0.3776 0.6299 0.6299 1.9016 1.9016 2.5537 2.5537 2.8750 2.8750 3.3312 3.3312 8.4562 8.4562 9.8143 9.8143 10.0742 10.0742 10.2906 10.2906 10.5295 10.5295 10.7360 10.7360 10.8776 10.8776 11.0438 11.0438 11.2705 11.2705 11.5304 11.5304 11.5800 11.5800 11.7708 11.7708 11.9740 11.9740 12.2678 12.2678 12.4259 12.4259 12.7876 12.7876 12.8531 12.8531 13.1230 13.1230 13.4205 13.4205 13.5072 13.5072 13.8929 13.8929 14.6942 14.6942 15.2371 15.2371 16.6365 16.6365 16.7720 16.7720 17.2631 17.2631 17.8765 17.8765 18.2424 18.2424 k = 0.5650 0.1010 0.3103 ( 3703 PWs) bands (ev): -12.5227 -12.5227 -12.3132 -12.3132 0.3776 0.3776 0.6274 0.6274 1.9002 1.9002 2.5598 2.5598 2.8700 2.8700 3.3359 3.3359 8.4894 8.4894 9.8110 9.8110 10.1044 10.1044 10.3053 10.3053 10.5058 10.5058 10.7257 10.7257 10.8720 10.8720 11.0332 11.0332 11.2617 11.2617 11.5245 11.5245 11.5768 11.5768 11.7791 11.7791 11.9864 11.9864 12.2856 12.2856 12.4414 12.4414 12.7757 12.7757 12.8464 12.8464 13.1278 13.1278 13.4091 13.4091 13.4893 13.4893 13.8737 13.8737 14.6148 14.6148 15.1822 15.1822 16.6712 16.6712 16.8204 16.8204 17.3049 17.3049 17.8664 17.8664 18.2971 18.2971 k = 0.5700 0.0866 0.3184 ( 3700 PWs) bands (ev): -12.5178 -12.5178 -12.3182 -12.3182 0.3778 0.3778 0.6246 0.6246 1.8991 1.8991 2.5645 2.5645 2.8665 2.8665 3.3403 3.3403 8.5243 8.5243 9.8059 9.8059 10.1359 10.1359 10.3208 10.3208 10.4824 10.4824 10.7173 10.7173 10.8663 10.8663 11.0235 11.0235 11.2513 11.2513 11.5163 11.5163 11.5767 11.5767 11.7839 11.7839 12.0019 12.0019 12.3020 12.3020 12.4560 12.4560 12.7599 12.7599 12.8432 12.8432 13.1326 13.1326 13.3935 13.3935 13.4718 13.4718 13.8539 13.8539 14.5363 14.5363 15.1375 15.1375 16.7016 16.7016 16.8637 16.8637 17.3509 17.3509 17.8627 17.8627 18.3303 18.3303 k = 0.5750 0.0722 0.3266 ( 3708 PWs) bands (ev): -12.5126 -12.5126 -12.3235 -12.3235 0.3784 0.3784 0.6215 0.6215 1.8983 1.8983 2.5674 2.5674 2.8649 2.8649 3.3441 3.3441 8.5606 8.5606 9.7988 9.7988 10.1676 10.1676 10.3373 10.3373 10.4602 10.4602 10.7112 10.7112 10.8603 10.8603 11.0152 11.0152 11.2393 11.2393 11.5066 11.5066 11.5791 11.5791 11.7856 11.7856 12.0204 12.0204 12.3172 12.3172 12.4686 12.4686 12.7407 12.7407 12.8423 12.8423 13.1377 13.1377 13.3737 13.3737 13.4544 13.4544 13.8341 13.8341 14.4594 14.4594 15.1037 15.1037 16.7279 16.7279 16.8999 16.8999 17.4008 17.4008 17.8676 17.8676 18.3509 18.3509 k = 0.5800 0.0577 0.3348 ( 3709 PWs) bands (ev): -12.5071 -12.5071 -12.3290 -12.3290 0.3792 0.3792 0.6180 0.6180 1.8980 1.8980 2.5683 2.5683 2.8652 2.8652 3.3474 3.3474 8.5980 8.5980 9.7894 9.7894 10.1978 10.1978 10.3548 10.3548 10.4410 10.4410 10.7076 10.7076 10.8539 10.8539 11.0090 11.0090 11.2258 11.2258 11.4965 11.4965 11.5826 11.5826 11.7849 11.7849 12.0410 12.0410 12.3314 12.3314 12.4783 12.4783 12.7194 12.7194 12.8419 12.8419 13.1431 13.1431 13.3506 13.3506 13.4366 13.4366 13.8155 13.8155 14.3849 14.3849 15.0807 15.0807 16.7505 16.7505 16.9275 16.9275 17.4542 17.4542 17.8822 17.8822 18.3659 18.3659 k = 0.5850 0.0433 0.3429 ( 3715 PWs) bands (ev): -12.5015 -12.5015 -12.3347 -12.3347 0.3804 0.3804 0.6143 0.6143 1.8981 1.8981 2.5672 2.5672 2.8676 2.8676 3.3502 3.3502 8.6361 8.6361 9.7773 9.7773 10.2244 10.2244 10.3726 10.3726 10.4282 10.4282 10.7066 10.7066 10.8468 10.8468 11.0049 11.0049 11.2114 11.2114 11.4866 11.4866 11.5864 11.5864 11.7829 11.7829 12.0627 12.0627 12.3448 12.3448 12.4842 12.4842 12.6968 12.6968 12.8399 12.8399 13.1486 13.1486 13.3256 13.3256 13.4181 13.4181 13.7986 13.7986 14.3137 14.3137 15.0683 15.0683 16.7696 16.7696 16.9457 16.9457 17.5101 17.5101 17.9058 17.9058 18.3778 18.3778 k = 0.5900 0.0289 0.3511 ( 3714 PWs) bands (ev): -12.4957 -12.4957 -12.3406 -12.3406 0.3820 0.3820 0.6104 0.6104 1.8987 1.8987 2.5641 2.5641 2.8718 2.8718 3.3523 3.3523 8.6745 8.6745 9.7623 9.7623 10.2446 10.2446 10.3862 10.3862 10.4292 10.4292 10.7081 10.7081 10.8392 10.8392 11.0031 11.0031 11.1964 11.1964 11.4776 11.4776 11.5894 11.5894 11.7808 11.7808 12.0842 12.0842 12.3578 12.3578 12.4859 12.4859 12.6740 12.6740 12.8342 12.8342 13.1540 13.1540 13.3012 13.3012 13.3983 13.3983 13.7842 13.7842 14.2465 14.2465 15.0658 15.0658 16.7857 16.7857 16.9549 16.9549 17.5677 17.5677 17.9363 17.9363 18.3875 18.3875 k = 0.5950 0.0144 0.3593 ( 3716 PWs) bands (ev): -12.4898 -12.4898 -12.3466 -12.3466 0.3838 0.3838 0.6063 0.6063 1.8998 1.8998 2.5591 2.5591 2.8778 2.8778 3.3537 3.3537 8.7126 8.7126 9.7440 9.7440 10.2571 10.2571 10.3916 10.3916 10.4496 10.4496 10.7116 10.7116 10.8316 10.8316 11.0031 11.0031 11.1817 11.1817 11.4699 11.4699 11.5910 11.5910 11.7797 11.7797 12.1041 12.1041 12.3704 12.3704 12.4830 12.4830 12.6518 12.6518 12.8232 12.8232 13.1587 13.1587 13.2801 13.2801 13.3773 13.3773 13.7721 13.7721 14.1842 14.1842 15.0725 15.0725 16.7989 16.7989 16.9562 16.9562 17.6261 17.6261 17.9705 17.9705 18.3955 18.3955 k = 0.6000-0.0000 0.3674 ( 3716 PWs) bands (ev): -12.4838 -12.4838 -12.3526 -12.3526 0.3860 0.3860 0.6020 0.6020 1.9014 1.9014 2.5523 2.5523 2.8852 2.8852 3.3545 3.3545 8.7497 8.7497 9.7224 9.7224 10.2632 10.2632 10.3958 10.3958 10.4813 10.4813 10.7165 10.7165 10.8249 10.8249 11.0044 11.0044 11.1684 11.1684 11.4637 11.4637 11.5904 11.5904 11.7806 11.7806 12.1209 12.1209 12.3822 12.3822 12.4760 12.4760 12.6308 12.6308 12.8058 12.8058 13.1618 13.1618 13.2652 13.2652 13.3552 13.3552 13.7624 13.7624 14.1275 14.1275 15.0873 15.0873 16.8090 16.8090 16.9514 16.9514 17.6840 17.6840 18.0039 18.0039 18.4023 18.4023 k = 0.6050-0.0144 0.3756 ( 3714 PWs) bands (ev): -12.4779 -12.4779 -12.3586 -12.3586 0.3884 0.3884 0.5978 0.5978 1.9035 1.9035 2.5441 2.5441 2.8937 2.8937 3.3546 3.3546 8.7853 8.7853 9.6974 9.6974 10.2661 10.2661 10.4017 10.4017 10.5177 10.5177 10.7213 10.7213 10.8206 10.8206 11.0063 11.0063 11.1577 11.1577 11.4591 11.4591 11.5875 11.5875 11.7839 11.7839 12.1330 12.1330 12.3911 12.3911 12.4673 12.4673 12.6111 12.6111 12.7827 12.7827 13.1630 13.1630 13.2579 13.2579 13.3324 13.3324 13.7544 13.7544 14.0773 14.0773 15.1090 15.1090 16.8151 16.8151 16.9427 16.9427 17.7405 17.7405 18.0319 18.0319 18.4086 18.4086 k = 0.6100-0.0289 0.3838 ( 3718 PWs) bands (ev): -12.4722 -12.4722 -12.3643 -12.3643 0.3911 0.3911 0.5937 0.5937 1.9062 1.9062 2.5346 2.5346 2.9030 2.9030 3.3539 3.3539 8.8184 8.8184 9.6694 9.6694 10.2689 10.2689 10.4093 10.4093 10.5553 10.5553 10.7242 10.7242 10.8205 10.8205 11.0082 11.0082 11.1510 11.1510 11.4563 11.4563 11.5825 11.5825 11.7898 11.7898 12.1391 12.1391 12.3916 12.3916 12.4629 12.4629 12.5919 12.5919 12.7561 12.7561 13.1631 13.1631 13.2568 13.2568 13.3100 13.3100 13.7476 13.7476 14.0342 14.0342 15.1364 15.1364 16.8156 16.8156 16.9332 16.9332 17.7941 17.7941 18.0505 18.0505 18.4154 18.4154 k = 0.6150-0.0433 0.3919 ( 3721 PWs) bands (ev): -12.4669 -12.4669 -12.3697 -12.3697 0.3939 0.3939 0.5897 0.5897 1.9094 1.9094 2.5240 2.5240 2.9129 2.9129 3.3526 3.3526 8.8482 8.8482 9.6390 9.6390 10.2733 10.2733 10.4179 10.4179 10.5908 10.5908 10.7242 10.7242 10.8260 10.8260 11.0106 11.0106 11.1489 11.1489 11.4552 11.4552 11.5759 11.5759 11.7978 11.7978 12.1382 12.1382 12.3799 12.3799 12.4674 12.4674 12.5725 12.5725 12.7294 12.7294 13.1634 13.1634 13.2572 13.2572 13.2914 13.2914 13.7414 13.7414 13.9986 13.9986 15.1682 15.1682 16.8084 16.8084 16.9261 16.9261 17.8435 17.8435 18.0572 18.0572 18.4232 18.4232 k = 0.6200-0.0577 0.4001 ( 3725 PWs) bands (ev): -12.4622 -12.4622 -12.3745 -12.3745 0.3969 0.3969 0.5860 0.5860 1.9132 1.9132 2.5126 2.5126 2.9231 2.9231 3.3505 3.3505 8.8737 8.8737 9.6070 9.6070 10.2801 10.2801 10.4280 10.4280 10.6201 10.6201 10.7229 10.7229 10.8367 10.8367 11.0150 11.0150 11.1514 11.1514 11.4558 11.4558 11.5686 11.5686 11.8070 11.8070 12.1295 12.1295 12.3603 12.3603 12.4747 12.4747 12.5539 12.5539 12.7067 12.7067 13.1643 13.1643 13.2492 13.2492 13.2858 13.2858 13.7351 13.7351 13.9708 13.9708 15.2031 15.2031 16.7922 16.7922 16.9236 16.9236 17.8869 17.8869 18.0519 18.0519 18.4321 18.4321 k = 0.6250-0.0722 0.4082 ( 3727 PWs) bands (ev): -12.4585 -12.4585 -12.3782 -12.3782 0.3998 0.3998 0.5829 0.5829 1.9174 1.9174 2.5004 2.5004 2.9333 2.9333 3.3477 3.3477 8.8938 8.8938 9.5745 9.5745 10.2888 10.2888 10.4400 10.4400 10.6385 10.6385 10.7235 10.7235 10.8511 10.8511 11.0238 11.0238 11.1576 11.1576 11.4580 11.4580 11.5618 11.5618 11.8162 11.8162 12.1134 12.1134 12.3388 12.3388 12.4727 12.4727 12.5425 12.5425 12.6911 12.6911 13.1646 13.1646 13.2347 13.2347 13.2920 13.2920 13.7285 13.7285 13.9507 13.9507 15.2397 15.2397 16.7683 16.7683 16.9255 16.9255 17.9229 17.9229 18.0363 18.0363 18.4411 18.4411 k = 0.6250-0.0722 0.4082 ( 3727 PWs) bands (ev): -12.4585 -12.4585 -12.3782 -12.3782 0.3998 0.3998 0.5829 0.5829 1.9174 1.9174 2.5004 2.5004 2.9333 2.9333 3.3477 3.3477 8.8938 8.8938 9.5745 9.5745 10.2888 10.2888 10.4400 10.4400 10.6385 10.6385 10.7235 10.7235 10.8511 10.8511 11.0238 11.0238 11.1576 11.1576 11.4580 11.4580 11.5618 11.5618 11.8162 11.8162 12.1134 12.1134 12.3388 12.3388 12.4727 12.4727 12.5425 12.5425 12.6911 12.6911 13.1646 13.1646 13.2347 13.2347 13.2920 13.2920 13.7285 13.7285 13.9507 13.9507 15.2397 15.2397 16.7683 16.7683 16.9255 16.9255 17.9229 17.9229 18.0363 18.0363 18.4411 18.4411 k = 0.6167-0.0674 0.4219 ( 3719 PWs) bands (ev): -12.4583 -12.4583 -12.3784 -12.3784 0.3997 0.3997 0.5828 0.5828 1.9172 1.9172 2.5011 2.5011 2.9328 2.9328 3.3479 3.3479 8.8956 8.8956 9.5726 9.5726 10.2892 10.2892 10.4394 10.4394 10.6382 10.6382 10.7231 10.7231 10.8504 10.8504 11.0258 11.0258 11.1576 11.1576 11.4597 11.4597 11.5622 11.5622 11.8168 11.8168 12.1115 12.1115 12.3360 12.3360 12.4645 12.4645 12.5457 12.5457 12.6955 12.6955 13.1625 13.1625 13.2377 13.2377 13.2930 13.2930 13.7294 13.7294 13.9513 13.9513 15.2418 15.2418 16.7368 16.7368 16.9522 16.9522 17.8932 17.8932 18.0689 18.0689 18.4398 18.4398 k = 0.6083-0.0625 0.4355 ( 3718 PWs) bands (ev): -12.4577 -12.4577 -12.3789 -12.3789 0.3995 0.3995 0.5827 0.5827 1.9165 1.9165 2.5031 2.5031 2.9314 2.9314 3.3487 3.3487 8.9011 8.9011 9.5672 9.5672 10.2902 10.2902 10.4374 10.4374 10.6374 10.6374 10.7219 10.7219 10.8486 10.8486 11.0307 11.0307 11.1580 11.1580 11.4644 11.4644 11.5635 11.5635 11.8186 11.8186 12.1061 12.1061 12.3277 12.3277 12.4444 12.4444 12.5523 12.5523 12.7067 12.7067 13.1578 13.1578 13.2452 13.2452 13.2957 13.2957 13.7319 13.7319 13.9529 13.9529 15.2480 15.2480 16.6707 16.6707 17.0040 17.0040 17.8404 17.8404 18.1298 18.1298 18.4361 18.4361 k = 0.6000-0.0577 0.4491 ( 3714 PWs) bands (ev): -12.4568 -12.4568 -12.3799 -12.3799 0.3992 0.3992 0.5826 0.5826 1.9154 1.9154 2.5064 2.5064 2.9290 2.9290 3.3499 3.3499 8.9102 8.9102 9.5583 9.5583 10.2919 10.2919 10.4343 10.4343 10.6359 10.6359 10.7202 10.7202 10.8464 10.8464 11.0364 11.0364 11.1605 11.1605 11.4717 11.4717 11.5660 11.5660 11.8213 11.8213 12.0973 12.0973 12.3135 12.3135 12.4192 12.4192 12.5591 12.5591 12.7213 12.7213 13.1533 13.1533 13.2548 13.2548 13.3002 13.3002 13.7362 13.7362 13.9555 13.9555 15.2582 15.2582 16.5923 16.5923 17.0593 17.0593 17.7861 17.7861 18.1957 18.1957 18.4305 18.4305 k = 0.5917-0.0529 0.4627 ( 3721 PWs) bands (ev): -12.4555 -12.4555 -12.3812 -12.3812 0.3989 0.3989 0.5823 0.5823 1.9139 1.9139 2.5108 2.5108 2.9259 2.9259 3.3515 3.3515 8.9228 8.9228 9.5461 9.5461 10.2941 10.2941 10.4302 10.4302 10.6336 10.6336 10.7187 10.7187 10.8444 10.8444 11.0394 11.0394 11.1675 11.1675 11.4806 11.4806 11.5701 11.5701 11.8248 11.8248 12.0858 12.0858 12.2936 12.2936 12.3930 12.3930 12.5653 12.5653 12.7356 12.7356 13.1514 13.1514 13.2647 13.2647 13.3062 13.3062 13.7421 13.7421 13.9587 13.9587 15.2726 15.2726 16.5080 16.5080 17.1128 17.1128 17.7347 17.7347 18.2588 18.2588 18.4239 18.4239 k = 0.5833-0.0481 0.4763 ( 3729 PWs) bands (ev): -12.4538 -12.4538 -12.3828 -12.3828 0.3984 0.3984 0.5821 0.5821 1.9121 1.9121 2.5161 2.5161 2.9220 2.9220 3.3534 3.3534 8.9389 8.9389 9.5306 9.5306 10.2966 10.2966 10.4254 10.4254 10.6304 10.6304 10.7183 10.7183 10.8427 10.8427 11.0371 11.0371 11.1809 11.1809 11.4899 11.4899 11.5766 11.5766 11.8286 11.8286 12.0720 12.0720 12.2689 12.2689 12.3678 12.3678 12.5702 12.5702 12.7475 12.7475 13.1533 13.1533 13.2739 13.2739 13.3135 13.3135 13.7496 13.7496 13.9621 13.9621 15.2908 15.2908 16.4204 16.4204 17.1633 17.1633 17.6872 17.6872 18.3116 18.3116 18.4180 18.4180 k = 0.5750-0.0433 0.4899 ( 3719 PWs) bands (ev): -12.4518 -12.4518 -12.3849 -12.3849 0.3979 0.3979 0.5817 0.5817 1.9100 1.9100 2.5223 2.5223 2.9175 2.9175 3.3556 3.3556 8.9583 8.9583 9.5122 9.5122 10.2992 10.2992 10.4201 10.4201 10.6261 10.6261 10.7198 10.7198 10.8413 10.8413 11.0288 11.0288 11.2008 11.2008 11.4981 11.4981 11.5863 11.5863 11.8323 11.8323 12.0563 12.0563 12.2413 12.2413 12.3441 12.3441 12.5735 12.5735 12.7561 12.7561 13.1594 13.1594 13.2823 13.2823 13.3214 13.3214 13.7586 13.7586 13.9652 13.9652 15.3127 15.3127 16.3312 16.3312 17.2104 17.2104 17.6442 17.6442 18.3455 18.3455 18.4152 18.4152 k = 0.5667-0.0385 0.5035 ( 3727 PWs) bands (ev): -12.4494 -12.4494 -12.3873 -12.3873 0.3974 0.3974 0.5814 0.5814 1.9078 1.9078 2.5291 2.5291 2.9126 2.9126 3.3580 3.3580 8.9809 8.9809 9.4911 9.4911 10.3018 10.3018 10.4146 10.4146 10.6211 10.6211 10.7236 10.7236 10.8400 10.8400 11.0154 11.0154 11.2257 11.2257 11.5041 11.5041 11.5995 11.5995 11.8352 11.8352 12.0392 12.0392 12.2135 12.2135 12.3214 12.3214 12.5745 12.5745 12.7616 12.7616 13.1693 13.1693 13.2898 13.2898 13.3295 13.3295 13.7690 13.7690 13.9676 13.9676 15.3383 15.3383 16.2419 16.2419 17.2542 17.2542 17.6059 17.6059 18.3584 18.3584 18.4175 18.4175 k = 0.5583-0.0337 0.5171 ( 3722 PWs) bands (ev): -12.4467 -12.4467 -12.3900 -12.3900 0.3968 0.3968 0.5810 0.5810 1.9056 1.9056 2.5363 2.5363 2.9074 2.9074 3.3604 3.3604 9.0064 9.0064 9.4676 9.4676 10.3040 10.3040 10.4089 10.4089 10.6162 10.6162 10.7300 10.7300 10.8386 10.8386 10.9983 10.9983 11.2541 11.2541 11.5075 11.5075 11.6161 11.6161 11.8367 11.8367 12.0208 12.0208 12.1880 12.1880 12.2995 12.2995 12.5730 12.5730 12.7649 12.7649 13.1819 13.1819 13.2964 13.2964 13.3372 13.3372 13.7807 13.7807 13.9686 13.9686 15.3672 15.3672 16.1539 16.1539 17.2945 17.2945 17.5723 17.5723 18.3585 18.3585 18.4212 18.4212 k = 0.5500-0.0289 0.5307 ( 3724 PWs) bands (ev): -12.4436 -12.4436 -12.3931 -12.3931 0.3963 0.3963 0.5806 0.5806 1.9034 1.9034 2.5434 2.5434 2.9022 2.9022 3.3628 3.3628 9.0347 9.0347 9.4419 9.4419 10.3057 10.3057 10.4033 10.4033 10.6121 10.6121 10.7386 10.7386 10.8368 10.8368 10.9786 10.9786 11.2844 11.2844 11.5085 11.5085 11.6350 11.6350 11.8362 11.8362 12.0014 12.0014 12.1667 12.1667 12.2784 12.2784 12.5690 12.5690 12.7671 12.7671 13.1960 13.1960 13.3023 13.3023 13.3442 13.3442 13.7938 13.7938 13.9676 13.9676 15.3993 15.3993 16.0688 16.0688 17.3312 17.3312 17.5436 17.5436 18.3545 18.3545 18.4229 18.4229 k = 0.5417-0.0241 0.5443 ( 3722 PWs) bands (ev): -12.4402 -12.4402 -12.3965 -12.3965 0.3957 0.3957 0.5802 0.5802 1.9013 1.9013 2.5504 2.5504 2.8972 2.8972 3.3651 3.3651 9.0653 9.0653 9.4143 9.4143 10.3067 10.3067 10.3979 10.3979 10.6094 10.6094 10.7492 10.7492 10.8347 10.8347 10.9572 10.9572 11.3152 11.3152 11.5073 11.5073 11.6551 11.6551 11.8333 11.8333 11.9814 11.9814 12.1511 12.1511 12.2582 12.2582 12.5628 12.5628 12.7689 12.7689 13.2102 13.2102 13.3076 13.3076 13.3502 13.3502 13.8081 13.8081 13.9640 13.9640 15.4340 15.4340 15.9878 15.9878 17.3639 17.3639 17.5196 17.5196 18.3507 18.3507 18.4220 18.4220 k = 0.5333-0.0192 0.5579 ( 3710 PWs) bands (ev): -12.4365 -12.4365 -12.4003 -12.4003 0.3953 0.3953 0.5798 0.5798 1.8995 1.8995 2.5567 2.5567 2.8925 2.8925 3.3671 3.3671 9.0977 9.0977 9.3851 9.3851 10.3071 10.3071 10.3929 10.3929 10.6083 10.6083 10.7614 10.7614 10.8322 10.8322 10.9351 10.9351 11.3453 11.3453 11.5042 11.5042 11.6750 11.6750 11.8280 11.8280 11.9621 11.9621 12.1411 12.1411 12.2395 12.2395 12.5555 12.5555 12.7705 12.7705 13.2235 13.2235 13.3123 13.3123 13.3547 13.3547 13.8236 13.8236 13.9574 13.9574 15.4708 15.4708 15.9124 15.9124 17.3920 17.3920 17.5003 17.5003 18.3490 18.3490 18.4187 18.4187 k = 0.5250-0.0144 0.5715 ( 3712 PWs) bands (ev): -12.4324 -12.4324 -12.4044 -12.4044 0.3949 0.3949 0.5795 0.5795 1.8979 1.8979 2.5621 2.5621 2.8886 2.8886 3.3688 3.3688 9.1315 9.1315 9.3547 9.3547 10.3069 10.3069 10.3884 10.3884 10.6088 10.6088 10.7745 10.7745 10.8294 10.8294 10.9135 10.9135 11.3731 11.3731 11.4994 11.4994 11.6936 11.6936 11.8208 11.8208 11.9452 11.9452 12.1360 12.1360 12.2230 12.2230 12.5480 12.5480 12.7722 12.7722 13.2349 13.2349 13.3167 13.3167 13.3575 13.3575 13.8402 13.8402 13.9477 13.9477 15.5090 15.5090 15.8441 15.8441 17.4146 17.4146 17.4859 17.4859 18.3505 18.3505 18.4132 18.4132 k = 0.5167-0.0096 0.5852 ( 3709 PWs) bands (ev): -12.4280 -12.4280 -12.4087 -12.4087 0.3946 0.3946 0.5792 0.5792 1.8967 1.8967 2.5663 2.5663 2.8855 2.8855 3.3702 3.3702 9.1653 9.1653 9.3239 9.3239 10.3064 10.3064 10.3848 10.3848 10.6104 10.6104 10.7878 10.7878 10.8265 10.8265 10.8937 10.8937 11.3971 11.3971 11.4933 11.4933 11.7091 11.7091 11.8131 11.8131 11.9320 11.9320 12.1342 12.1342 12.2098 12.2098 12.5415 12.5415 12.7735 12.7735 13.2436 13.2436 13.3208 13.3208 13.3584 13.3584 13.8575 13.8575 13.9349 13.9349 15.5466 15.5466 15.7850 15.7850 17.4305 17.4305 17.4767 17.4767 18.3554 18.3554 18.4057 18.4057 k = 0.5083-0.0048 0.5988 ( 3704 PWs) bands (ev): -12.4233 -12.4233 -12.4134 -12.4134 0.3944 0.3944 0.5790 0.5790 1.8960 1.8960 2.5690 2.5690 2.8836 2.8836 3.3710 3.3710 9.1963 9.1963 9.2951 9.2951 10.3059 10.3059 10.3822 10.3822 10.6122 10.6122 10.7993 10.7993 10.8237 10.8237 10.8786 10.8786 11.4145 11.4145 11.4872 11.4872 11.7195 11.7195 11.8072 11.8072 11.9238 11.9238 12.1340 12.1340 12.2012 12.2012 12.5371 12.5371 12.7745 12.7745 13.2492 13.2492 13.3242 13.3242 13.3578 13.3578 13.8747 13.8747 13.9201 13.9201 15.5790 15.5790 15.7399 15.7399 17.4386 17.4386 17.4731 17.4731 18.3634 18.3634 18.3969 18.3969 k = 0.5000-0.0000 0.6124 ( 3704 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.3944 0.3944 0.5789 0.5789 1.8957 1.8957 2.5700 2.5700 2.8829 2.8829 3.3713 3.3713 9.2126 9.2126 9.2798 9.2798 10.3057 10.3057 10.3812 10.3812 10.6131 10.6131 10.8044 10.8044 10.8222 10.8222 10.8726 10.8726 11.4213 11.4213 11.4844 11.4844 11.7231 11.7231 11.8051 11.8051 11.9210 11.9210 12.1340 12.1340 12.1982 12.1982 12.5355 12.5355 12.7749 12.7749 13.2512 13.2512 13.3258 13.3258 13.3571 13.3571 13.8856 13.8856 13.9099 13.9099 15.5936 15.5936 15.7212 15.7212 17.4404 17.4404 17.4729 17.4729 18.3694 18.3694 18.3909 18.3909 k = 0.5000-0.0000 0.6124 ( 3704 PWs) bands (ev): -12.4185 -12.4185 -12.4183 -12.4183 0.3944 0.3944 0.5789 0.5789 1.8957 1.8957 2.5700 2.5700 2.8829 2.8829 3.3713 3.3713 9.2126 9.2126 9.2798 9.2798 10.3057 10.3057 10.3812 10.3812 10.6131 10.6131 10.8044 10.8044 10.8222 10.8222 10.8726 10.8726 11.4213 11.4213 11.4844 11.4844 11.7231 11.7231 11.8051 11.8051 11.9210 11.9210 12.1340 12.1340 12.1982 12.1982 12.5355 12.5355 12.7749 12.7749 13.2512 13.2512 13.3258 13.3258 13.3571 13.3571 13.8856 13.8856 13.9099 13.9099 15.5936 15.5936 15.7212 15.7212 17.4404 17.4404 17.4729 17.4729 18.3694 18.3694 18.3909 18.3909 k = 0.5000 0.0100 0.5983 ( 3704 PWs) bands (ev): -12.4258 -12.4258 -12.4109 -12.4109 0.3942 0.3942 0.5793 0.5793 1.8957 1.8957 2.5703 2.5703 2.8825 2.8825 3.3712 3.3712 9.1831 9.1831 9.3090 9.3090 10.3050 10.3050 10.3815 10.3815 10.6112 10.6112 10.7975 10.7975 10.8234 10.8234 10.8798 10.8798 11.4084 11.4084 11.4899 11.4899 11.7172 11.7172 11.8094 11.8094 11.9255 11.9255 12.1343 12.1343 12.2048 12.2048 12.5394 12.5394 12.7738 12.7738 13.2496 13.2496 13.3209 13.3209 13.3611 13.3611 13.8680 13.8680 13.9301 13.9301 15.5636 15.5636 15.7530 15.7530 17.4383 17.4383 17.4727 17.4727 18.3553 18.3553 18.4017 18.4017 k = 0.5000 0.0199 0.5842 ( 3710 PWs) bands (ev): -12.4333 -12.4333 -12.4035 -12.4035 0.3936 0.3936 0.5804 0.5804 1.8955 1.8955 2.5710 2.5710 2.8813 2.8813 3.3709 3.3709 9.1342 9.1342 9.3570 9.3570 10.3030 10.3030 10.3819 10.3819 10.6053 10.6053 10.7837 10.7837 10.8248 10.8248 10.8965 10.8965 11.3791 11.3791 11.4981 11.4981 11.7067 11.7067 11.8141 11.8141 11.9381 11.9381 12.1390 12.1390 12.2214 12.2214 12.5509 12.5509 12.7709 12.7709 13.2448 13.2448 13.3102 13.3102 13.3694 13.3694 13.8448 13.8448 13.9612 13.9612 15.5078 15.5078 15.8140 15.8140 17.4326 17.4326 17.4711 17.4711 18.3326 18.3326 18.4145 18.4145 k = 0.5000 0.0299 0.5701 ( 3708 PWs) bands (ev): -12.4406 -12.4406 -12.3961 -12.3961 0.3926 0.3926 0.5822 0.5822 1.8953 1.8953 2.5723 2.5723 2.8793 2.8793 3.3704 3.3704 9.0827 9.0827 9.4070 9.4070 10.3000 10.3000 10.3823 10.3823 10.5953 10.5953 10.7692 10.7692 10.8259 10.8259 10.9166 10.9166 11.3438 11.3438 11.5022 11.5022 11.6994 11.6994 11.8111 11.8111 11.9538 11.9538 12.1543 12.1543 12.2435 12.2435 12.5701 12.5701 12.7663 12.7663 13.2369 13.2369 13.2976 13.2976 13.3785 13.3785 13.8242 13.8242 13.9949 13.9949 15.4489 15.4489 15.8817 15.8817 17.4249 17.4249 17.4666 17.4666 18.3086 18.3086 18.4209 18.4209 k = 0.5000 0.0398 0.5561 ( 3708 PWs) bands (ev): -12.4480 -12.4480 -12.3887 -12.3887 0.3914 0.3914 0.5846 0.5846 1.8951 1.8951 2.5739 2.5739 2.8767 2.8767 3.3696 3.3696 9.0308 9.0308 9.4564 9.4564 10.2965 10.2965 10.3823 10.3823 10.5814 10.5814 10.7561 10.7561 10.8273 10.8273 10.9368 10.9368 11.3079 11.3079 11.5017 11.5017 11.6974 11.6974 11.8002 11.8002 11.9666 11.9666 12.1813 12.1813 12.2689 12.2689 12.5962 12.5962 12.7608 12.7608 13.2262 13.2262 13.2844 13.2844 13.3875 13.3875 13.8067 13.8067 14.0304 14.0304 15.3921 15.3921 15.9508 15.9508 17.4160 17.4160 17.4581 17.4581 18.2850 18.2850 18.4182 18.4182 k = 0.5000 0.0498 0.5420 ( 3720 PWs) bands (ev): -12.4552 -12.4552 -12.3815 -12.3815 0.3899 0.3899 0.5876 0.5876 1.8948 1.8948 2.5758 2.5758 2.8736 2.8736 3.3687 3.3687 8.9792 8.9792 9.5044 9.5044 10.2928 10.2928 10.3816 10.3816 10.5637 10.5637 10.7449 10.7449 10.8289 10.8289 10.9552 10.9552 11.2757 11.2757 11.4980 11.4980 11.6998 11.6998 11.7838 11.7838 11.9749 11.9749 12.2150 12.2150 12.2972 12.2972 12.6272 12.6272 12.7564 12.7564 13.2131 13.2131 13.2713 13.2713 13.3962 13.3962 13.7927 13.7927 14.0673 14.0673 15.3394 15.3394 16.0194 16.0194 17.4058 17.4058 17.4455 17.4455 18.2623 18.2623 18.4044 18.4044 k = 0.5000 0.0597 0.5279 ( 3716 PWs) bands (ev): -12.4623 -12.4623 -12.3743 -12.3743 0.3883 0.3883 0.5910 0.5910 1.8945 1.8945 2.5778 2.5778 2.8702 2.8702 3.3674 3.3674 8.9283 8.9283 9.5503 9.5503 10.2889 10.2889 10.3800 10.3800 10.5428 10.5428 10.7353 10.7353 10.8310 10.8310 10.9703 10.9703 11.2505 11.2505 11.4931 11.4931 11.7047 11.7047 11.7639 11.7639 11.9802 11.9802 12.2480 12.2480 12.3291 12.3291 12.6579 12.6579 12.7575 12.7575 13.1988 13.1988 13.2589 13.2589 13.4047 13.4047 13.7822 13.7822 14.1054 14.1054 15.2922 15.2922 16.0863 16.0863 17.3924 17.3924 17.4308 17.4308 18.2404 18.2404 18.3789 18.3789 k = 0.5000 0.0697 0.5138 ( 3722 PWs) bands (ev): -12.4693 -12.4693 -12.3673 -12.3673 0.3866 0.3866 0.5947 0.5947 1.8943 1.8943 2.5798 2.5798 2.8666 2.8666 3.3659 3.3659 8.8781 8.8781 9.5934 9.5934 10.2845 10.2845 10.3780 10.3780 10.5197 10.5197 10.7270 10.7270 10.8335 10.8335 10.9815 10.9815 11.2341 11.2341 11.4882 11.4882 11.7108 11.7108 11.7422 11.7422 11.9841 11.9841 12.2750 12.2750 12.3642 12.3642 12.6777 12.6777 12.7727 12.7727 13.1849 13.1849 13.2478 13.2478 13.4130 13.4130 13.7754 13.7754 14.1445 14.1445 15.2512 15.2512 16.1503 16.1503 17.3712 17.3712 17.4188 17.4188 18.2177 18.2177 18.3437 18.3437 k = 0.5000 0.0796 0.4998 ( 3716 PWs) bands (ev): -12.4761 -12.4761 -12.3604 -12.3604 0.3849 0.3849 0.5986 0.5986 1.8942 1.8942 2.5815 2.5815 2.8631 2.8631 3.3641 3.3641 8.8290 8.8290 9.6333 9.6333 10.2786 10.2786 10.3763 10.3763 10.4954 10.4954 10.7199 10.7199 10.8363 10.8363 10.9888 10.9888 11.2269 11.2269 11.4846 11.4846 11.7139 11.7139 11.7229 11.7229 11.9875 11.9875 12.2953 12.2953 12.3994 12.3994 12.6827 12.6827 12.8031 12.8031 13.1736 13.1736 13.2388 13.2388 13.4213 13.4213 13.7723 13.7723 14.1847 14.1847 15.2175 15.2175 16.2107 16.2107 17.3399 17.3399 17.4119 17.4119 18.1907 18.1907 18.3043 18.3043 k = 0.5000 0.0896 0.4857 ( 3714 PWs) bands (ev): -12.4827 -12.4827 -12.3537 -12.3537 0.3833 0.3833 0.6026 0.6026 1.8941 1.8941 2.5827 2.5827 2.8600 2.8600 3.3619 3.3619 8.7811 8.7811 9.6695 9.6695 10.2700 10.2700 10.3758 10.3758 10.4713 10.4713 10.7139 10.7139 10.8393 10.8393 10.9937 10.9937 11.2274 11.2274 11.4827 11.4827 11.6950 11.6950 11.7255 11.7255 11.9906 11.9906 12.3097 12.3097 12.4312 12.4312 12.6817 12.6817 12.8362 12.8362 13.1667 13.1667 13.2341 13.2341 13.4296 13.4296 13.7730 13.7730 14.2261 14.2261 15.1917 15.1917 16.2667 16.2667 17.3004 17.3004 17.4086 17.4086 18.1536 18.1536 18.2692 18.2692 k = 0.5000 0.0995 0.4716 ( 3716 PWs) bands (ev): -12.4892 -12.4892 -12.3472 -12.3472 0.3818 0.3818 0.6067 0.6067 1.8943 1.8943 2.5831 2.5831 2.8576 2.8576 3.3594 3.3594 8.7345 8.7345 9.7014 9.7014 10.2569 10.2569 10.3768 10.3768 10.4497 10.4497 10.7093 10.7093 10.8426 10.8426 10.9979 10.9979 11.2330 11.2330 11.4831 11.4831 11.6729 11.6729 11.7314 11.7314 11.9932 11.9932 12.3188 12.3188 12.4561 12.4561 12.6821 12.6821 12.8613 12.8613 13.1640 13.1640 13.2375 13.2375 13.4381 13.4381 13.7775 13.7775 14.2693 14.2693 15.1744 15.1744 16.3173 16.3173 17.2545 17.2545 17.4071 17.4071 18.1049 18.1049 18.2436 18.2436 k = 0.5000 0.1095 0.4575 ( 3706 PWs) bands (ev): -12.4954 -12.4954 -12.3408 -12.3408 0.3805 0.3805 0.6107 0.6107 1.8946 1.8946 2.5827 2.5827 2.8561 2.8561 3.3565 3.3565 8.6894 8.6894 9.7290 9.7290 10.2388 10.2388 10.3764 10.3764 10.4351 10.4351 10.7066 10.7066 10.8459 10.8459 11.0028 11.0028 11.2414 11.2414 11.4860 11.4860 11.6517 11.6517 11.7369 11.7369 11.9951 11.9951 12.3230 12.3230 12.4719 12.4719 12.6876 12.6876 12.8741 12.8741 13.1618 13.1618 13.2534 13.2534 13.4467 13.4467 13.7860 13.7860 14.3149 14.3149 15.1660 15.1660 16.3620 16.3620 17.2034 17.2034 17.4055 17.4055 18.0502 18.0502 18.2252 18.2252 k = 0.5000 0.1195 0.4434 ( 3708 PWs) bands (ev): -12.5014 -12.5014 -12.3347 -12.3347 0.3794 0.3794 0.6146 0.6146 1.8951 1.8951 2.5811 2.5811 2.8557 2.8557 3.3533 3.3533 8.6458 8.6458 9.7520 9.7520 10.2159 10.2159 10.3688 10.3688 10.4337 10.4337 10.7058 10.7058 10.8494 10.8494 11.0091 11.0091 11.2507 11.2507 11.4913 11.4913 11.6320 11.6320 11.7419 11.7419 11.9959 11.9959 12.3224 12.3224 12.4782 12.4782 12.6993 12.6993 12.8761 12.8761 13.1576 13.1576 13.2808 13.2808 13.4556 13.4556 13.7985 13.7985 14.3639 14.3639 15.1668 15.1668 16.4000 16.4000 17.1484 17.1484 17.4016 17.4016 17.9972 17.9972 18.2100 18.2100 k = 0.5000 0.1294 0.4294 ( 3704 PWs) bands (ev): -12.5072 -12.5072 -12.3289 -12.3289 0.3785 0.3785 0.6182 0.6182 1.8958 1.8958 2.5783 2.5783 2.8566 2.8566 3.3496 3.3496 8.6040 8.6040 9.7708 9.7708 10.1892 10.1892 10.3546 10.3546 10.4448 10.4448 10.7073 10.7073 10.8532 10.8532 11.0168 11.0168 11.2595 11.2595 11.4988 11.4988 11.6143 11.6143 11.7461 11.7461 11.9952 11.9952 12.3173 12.3173 12.4764 12.4764 12.7159 12.7159 12.8715 12.8715 13.1518 13.1518 13.3137 13.3137 13.4648 13.4648 13.8144 13.8144 14.4172 14.4172 15.1769 15.1769 16.4309 16.4309 17.0901 17.0901 17.3928 17.3928 17.9523 17.9523 18.1951 18.1951 k = 0.5000 0.1394 0.4153 ( 3702 PWs) bands (ev): -12.5127 -12.5127 -12.3233 -12.3233 0.3779 0.3779 0.6216 0.6216 1.8968 1.8968 2.5743 2.5743 2.8589 2.8589 3.3456 3.3456 8.5639 8.5639 9.7857 9.7857 10.1602 10.1602 10.3381 10.3381 10.4627 10.4627 10.7111 10.7111 10.8575 10.8575 11.0257 11.0257 11.2672 11.2672 11.5079 11.5079 11.5992 11.5992 11.7493 11.7493 11.9929 11.9929 12.3081 12.3081 12.4688 12.4688 12.7349 12.7349 12.8648 12.8648 13.1453 13.1453 13.3462 13.3462 13.4747 13.4747 13.8331 13.8331 14.4757 14.4757 15.1962 15.1962 16.4542 16.4542 17.0296 17.0296 17.3766 17.3766 17.9202 17.9202 18.1784 18.1784 k = 0.5000 0.1493 0.4012 ( 3702 PWs) bands (ev): -12.5180 -12.5180 -12.3180 -12.3180 0.3775 0.3775 0.6247 0.6247 1.8981 1.8981 2.5690 2.5690 2.8626 2.8626 3.3412 3.3412 8.5258 8.5258 9.7969 9.7969 10.1300 10.1300 10.3216 10.3216 10.4840 10.4840 10.7172 10.7172 10.8622 10.8622 11.0354 11.0354 11.2735 11.2735 11.5177 11.5177 11.5874 11.5874 11.7510 11.7510 11.9888 11.9888 12.2955 12.2955 12.4572 12.4572 12.7536 12.7536 12.8594 12.8594 13.1388 13.1388 13.3746 13.3746 13.4856 13.4856 13.8534 13.8534 14.5399 14.5399 15.2245 15.2245 16.4696 16.4696 16.9674 16.9674 17.3520 17.3520 17.9035 17.9035 18.1578 18.1578 k = 0.5000 0.1593 0.3871 ( 3708 PWs) bands (ev): -12.5229 -12.5229 -12.3130 -12.3130 0.3774 0.3774 0.6275 0.6275 1.8996 1.8996 2.5626 2.5626 2.8675 2.8675 3.3365 3.3365 8.4898 8.4898 9.8051 9.8051 10.1000 10.1000 10.3057 10.3057 10.5069 10.5069 10.7255 10.7255 10.8675 10.8675 11.0455 11.0455 11.2786 11.2786 11.5268 11.5268 11.5798 11.5798 11.7510 11.7510 11.9832 11.9832 12.2804 12.2804 12.4430 12.4430 12.7700 12.7700 12.8575 12.8575 13.1324 13.1324 13.3973 13.3973 13.4981 13.4981 13.8738 13.8738 14.6098 14.6098 15.2615 15.2615 16.4770 16.4770 16.9042 16.9042 17.3200 17.3200 17.9017 17.9017 18.1311 18.1311 k = 0.5000 0.1692 0.3731 ( 3712 PWs) bands (ev): -12.5275 -12.5275 -12.3083 -12.3083 0.3775 0.3775 0.6300 0.6300 1.9013 1.9013 2.5553 2.5553 2.8737 2.8737 3.3314 3.3314 8.4559 8.4559 9.8106 9.8106 10.0710 10.0710 10.2907 10.2907 10.5303 10.5303 10.7357 10.7357 10.8734 10.8734 11.0555 11.0555 11.2826 11.2826 11.5335 11.5335 11.5779 11.5779 11.7487 11.7487 11.9765 11.9765 12.2632 12.2632 12.4275 12.4275 12.7831 12.7831 12.8604 12.8604 13.1263 13.1263 13.4137 13.4137 13.5125 13.5125 13.8935 13.8935 14.6846 14.6846 15.3070 15.3070 16.4765 16.4765 16.8406 16.8406 17.2834 17.2834 17.9120 17.9120 18.0956 18.0956 k = 0.5000 0.1792 0.3590 ( 3710 PWs) bands (ev): -12.5318 -12.5318 -12.3039 -12.3039 0.3779 0.3779 0.6322 0.6322 1.9032 1.9032 2.5472 2.5472 2.8807 2.8807 3.3261 3.3261 8.4243 8.4243 9.8138 9.8138 10.0437 10.0437 10.2767 10.2767 10.5534 10.5534 10.7474 10.7474 10.8798 10.8798 11.0649 11.0649 11.2860 11.2860 11.5371 11.5371 11.5815 11.5815 11.7437 11.7437 11.9693 11.9693 12.2444 12.2444 12.4118 12.4118 12.7929 12.7929 12.8676 12.8676 13.1203 13.1203 13.4246 13.4246 13.5284 13.5284 13.9115 13.9115 14.7628 14.7628 15.3607 15.3607 16.4685 16.4685 16.7773 16.7773 17.2452 17.2452 17.9291 17.9291 18.0504 18.0504 k = 0.5000 0.1891 0.3449 ( 3706 PWs) bands (ev): -12.5358 -12.5358 -12.2998 -12.2998 0.3784 0.3784 0.6340 0.6340 1.9053 1.9053 2.5388 2.5388 2.8885 2.8885 3.3206 3.3206 8.3950 8.3950 9.8150 9.8150 10.0186 10.0186 10.2636 10.2636 10.5757 10.5757 10.7601 10.7601 10.8864 10.8864 11.0733 11.0733 11.2894 11.2894 11.5391 11.5391 11.5884 11.5884 11.7361 11.7361 11.9623 11.9623 12.2243 12.2243 12.3968 12.3968 12.8006 12.8006 12.8774 12.8774 13.1144 13.1144 13.4314 13.4314 13.5451 13.5451 13.9277 13.9277 14.8426 14.8426 15.4223 15.4223 16.4536 16.4536 16.7149 16.7149 17.2076 17.2076 17.9348 17.9348 18.0086 18.0086 k = 0.5000 0.1991 0.3308 ( 3706 PWs) bands (ev): -12.5394 -12.5394 -12.2961 -12.2961 0.3790 0.3790 0.6355 0.6355 1.9075 1.9075 2.5302 2.5302 2.8967 2.8967 3.3150 3.3150 8.3683 8.3683 9.8145 9.8145 9.9963 9.9963 10.2517 10.2517 10.5970 10.5970 10.7732 10.7732 10.8931 10.8931 11.0802 11.0802 11.2935 11.2935 11.5415 11.5415 11.5952 11.5952 11.7266 11.7266 11.9561 11.9561 12.2031 12.2031 12.3833 12.3833 12.8077 12.8077 12.8881 12.8881 13.1085 13.1085 13.4353 13.4353 13.5619 13.5619 13.9418 13.9418 14.9221 14.9221 15.4915 15.4915 16.4328 16.4328 16.6541 16.6541 17.1719 17.1719 17.8847 17.8847 18.0140 18.0140 k = 0.5000 0.2090 0.3167 ( 3714 PWs) bands (ev): -12.5427 -12.5427 -12.2928 -12.2928 0.3798 0.3798 0.6367 0.6367 1.9097 1.9097 2.5217 2.5217 2.9051 2.9051 3.3094 3.3094 8.3440 8.3440 9.8125 9.8125 9.9769 9.9769 10.2408 10.2408 10.6172 10.6172 10.7862 10.7862 10.8996 10.8996 11.0851 11.0851 11.2992 11.2992 11.5449 11.5449 11.5994 11.5994 11.7166 11.7166 11.9511 11.9511 12.1814 12.1814 12.3717 12.3717 12.8148 12.8148 12.8984 12.8984 13.1026 13.1026 13.4372 13.4372 13.5782 13.5782 13.9541 13.9541 14.9994 14.9994 15.5676 15.5676 16.4076 16.4076 16.5957 16.5957 17.1381 17.1381 17.8047 17.8047 18.0426 18.0426 k = 0.5000 0.2190 0.3027 ( 3716 PWs) bands (ev): -12.5456 -12.5456 -12.2898 -12.2898 0.3806 0.3806 0.6376 0.6376 1.9119 1.9119 2.5135 2.5135 2.9134 2.9134 3.3038 3.3038 8.3225 8.3225 9.8093 9.8093 9.9607 9.9607 10.2311 10.2311 10.6363 10.6363 10.7985 10.7985 10.9054 10.9054 11.0881 11.0881 11.3069 11.3069 11.5492 11.5492 11.5988 11.5988 11.7084 11.7084 11.9473 11.9473 12.1596 12.1596 12.3621 12.3621 12.8222 12.8222 12.9077 12.9077 13.0966 13.0966 13.4380 13.4380 13.5936 13.5936 13.9647 13.9647 15.0727 15.0727 15.6493 15.6493 16.3794 16.3794 16.5409 16.5409 17.1050 17.1050 17.7178 17.7178 18.0748 18.0748 k = 0.5000 0.2289 0.2886 ( 3716 PWs) bands (ev): -12.5482 -12.5482 -12.2872 -12.2872 0.3814 0.3814 0.6384 0.6384 1.9141 1.9141 2.5059 2.5059 2.9213 2.9213 3.2986 3.2986 8.3036 8.3036 9.8052 9.8052 9.9475 9.9475 10.2227 10.2227 10.6541 10.6541 10.8096 10.8096 10.9103 10.9103 11.0889 11.0889 11.3171 11.3171 11.5535 11.5535 11.5924 11.5924 11.7040 11.7040 11.9446 11.9446 12.1385 12.1385 12.3543 12.3543 12.8300 12.8300 12.9156 12.9156 13.0907 13.0907 13.4379 13.4379 13.6078 13.6078 13.9738 13.9738 15.1407 15.1407 15.7347 15.7347 16.3498 16.3498 16.4912 16.4912 17.0709 17.0709 17.6316 17.6316 18.1063 18.1063 k = 0.5000 0.2389 0.2745 ( 3720 PWs) bands (ev): -12.5504 -12.5504 -12.2850 -12.2850 0.3822 0.3822 0.6389 0.6389 1.9160 1.9160 2.4990 2.4990 2.9286 2.9286 3.2937 3.2937 8.2875 8.2875 9.8006 9.8006 9.9372 9.9372 10.2154 10.2154 10.6706 10.6706 10.8193 10.8193 10.9141 10.9141 11.0881 11.0881 11.3299 11.3299 11.5546 11.5546 11.5832 11.5832 11.7033 11.7033 11.9430 11.9430 12.1185 12.1185 12.3483 12.3483 12.8378 12.8378 12.9220 12.9220 13.0851 13.0851 13.4374 13.4374 13.6203 13.6203 13.9813 13.9813 15.2021 15.2021 15.8211 15.8211 16.3204 16.3204 16.4483 16.4483 17.0335 17.0335 17.5519 17.5519 18.1349 18.1349 k = 0.5000 0.2489 0.2604 ( 3718 PWs) bands (ev): -12.5521 -12.5521 -12.2832 -12.2832 0.3829 0.3829 0.6393 0.6393 1.9178 1.9178 2.4932 2.4932 2.9351 2.9351 3.2895 3.2895 8.2743 8.2743 9.7960 9.7960 9.9294 9.9294 10.2095 10.2095 10.6854 10.6854 10.8273 10.8273 10.9167 10.9167 11.0862 11.0862 11.3449 11.3449 11.5459 11.5459 11.5795 11.5795 11.7051 11.7051 11.9424 11.9424 12.1006 12.1006 12.3436 12.3436 12.8454 12.8454 12.9267 12.9267 13.0799 13.0799 13.4368 13.4368 13.6309 13.6309 13.9875 13.9875 15.2556 15.2556 15.9043 15.9043 16.2928 16.2928 16.4147 16.4147 16.9910 16.9910 17.4835 17.4835 18.1587 18.1587 k = 0.5000 0.2588 0.2464 ( 3722 PWs) bands (ev): -12.5535 -12.5535 -12.2817 -12.2817 0.3835 0.3835 0.6395 0.6395 1.9192 1.9192 2.4884 2.4884 2.9403 2.9403 3.2859 3.2859 8.2640 8.2640 9.7919 9.7919 9.9237 9.9237 10.2048 10.2048 10.6980 10.6980 10.8335 10.8335 10.9181 10.9181 11.0838 11.0838 11.3613 11.3613 11.5286 11.5286 11.5818 11.5818 11.7078 11.7078 11.9425 11.9425 12.0853 12.0853 12.3402 12.3402 12.8523 12.8523 12.9300 12.9300 13.0755 13.0755 13.4362 13.4362 13.6394 13.6394 13.9924 13.9924 15.3000 15.3000 15.9783 15.9783 16.2690 16.2690 16.3925 16.3925 16.9438 16.9438 17.4299 17.4299 18.1758 18.1758 k = 0.5000 0.2688 0.2323 ( 3728 PWs) bands (ev): -12.5545 -12.5545 -12.2807 -12.2807 0.3840 0.3840 0.6397 0.6397 1.9203 1.9203 2.4850 2.4850 2.9443 2.9443 3.2833 3.2833 8.2566 8.2566 9.7887 9.7887 9.9200 9.9200 10.2015 10.2015 10.7078 10.7078 10.8378 10.8378 10.9187 10.9187 11.0817 11.0817 11.3779 11.3779 11.5097 11.5097 11.5851 11.5851 11.7103 11.7103 11.9431 11.9431 12.0735 12.0735 12.3379 12.3379 12.8579 12.8579 12.9319 12.9319 13.0720 13.0720 13.4356 13.4356 13.6457 13.6457 13.9958 13.9958 15.3334 15.3334 16.0356 16.0356 16.2511 16.2511 16.3833 16.3833 16.8967 16.8967 17.3926 17.3926 18.1852 18.1852 k = 0.5000 0.2787 0.2182 ( 3726 PWs) bands (ev): -12.5551 -12.5551 -12.2801 -12.2801 0.3843 0.3843 0.6398 0.6398 1.9209 1.9209 2.4828 2.4828 2.9467 2.9467 3.2816 3.2816 8.2521 8.2521 9.7866 9.7866 9.9178 9.9178 10.1995 10.1995 10.7140 10.7140 10.8404 10.8404 10.9189 10.9189 11.0802 11.0802 11.3917 11.3917 11.4941 11.4941 11.5875 11.5875 11.7120 11.7120 11.9437 11.9437 12.0660 12.0660 12.3365 12.3365 12.8616 12.8616 12.9329 12.9329 13.0699 13.0699 13.4353 13.4353 13.6495 13.6495 13.9979 13.9979 15.3544 15.3544 16.0701 16.0701 16.2409 16.2409 16.3842 16.3842 16.8596 16.8596 17.3710 17.3710 18.1889 18.1889 k = 0.5000 0.2887 0.2041 ( 3708 PWs) bands (ev): -12.5553 -12.5553 -12.2799 -12.2799 0.3844 0.3844 0.6398 0.6398 1.9212 1.9212 2.4821 2.4821 2.9475 2.9475 3.2810 3.2810 8.2506 8.2506 9.7859 9.7859 9.9171 9.9171 10.1988 10.1988 10.7162 10.7162 10.8412 10.8412 10.9189 10.9189 11.0796 11.0796 11.3976 11.3976 11.4876 11.4876 11.5883 11.5883 11.7127 11.7127 11.9440 11.9440 12.0634 12.0634 12.3361 12.3361 12.8629 12.8629 12.9332 12.9332 13.0692 13.0692 13.4352 13.4352 13.6507 13.6507 13.9986 13.9986 15.3615 15.3615 16.0811 16.0811 16.2377 16.2377 16.3864 16.3864 16.8452 16.8452 17.3639 17.3639 18.1898 18.1898 k = 0.5000 0.2887 0.2041 ( 3708 PWs) bands (ev): -12.5553 -12.5553 -12.2799 -12.2799 0.3844 0.3844 0.6398 0.6398 1.9212 1.9212 2.4821 2.4821 2.9475 2.9475 3.2810 3.2810 8.2506 8.2506 9.7859 9.7859 9.9171 9.9171 10.1988 10.1988 10.7162 10.7162 10.8412 10.8412 10.9189 10.9189 11.0796 11.0796 11.3976 11.3976 11.4876 11.4876 11.5883 11.5883 11.7127 11.7127 11.9440 11.9440 12.0634 12.0634 12.3361 12.3361 12.8629 12.8629 12.9332 12.9332 13.0692 13.0692 13.4352 13.4352 13.6507 13.6507 13.9986 13.9986 15.3615 15.3615 16.0811 16.0811 16.2377 16.2377 16.3864 16.3864 16.8452 16.8452 17.3639 17.3639 18.1898 18.1898 k = 0.4950 0.2858 0.2205 ( 3723 PWs) bands (ev): -12.5551 -12.5551 -12.2801 -12.2801 0.3843 0.3843 0.6398 0.6398 1.9209 1.9209 2.4828 2.4828 2.9467 2.9467 3.2816 3.2816 8.2521 8.2521 9.7867 9.7867 9.9179 9.9179 10.1995 10.1995 10.7140 10.7140 10.8404 10.8404 10.9189 10.9189 11.0802 11.0802 11.3917 11.3917 11.4942 11.4942 11.5875 11.5875 11.7120 11.7120 11.9437 11.9437 12.0660 12.0660 12.3365 12.3365 12.8616 12.8616 12.9329 12.9329 13.0699 13.0699 13.4353 13.4353 13.6494 13.6494 13.9979 13.9979 15.3543 15.3543 16.0700 16.0700 16.2409 16.2409 16.3841 16.3841 16.8598 16.8598 17.3710 17.3710 18.1889 18.1889 k = 0.4900 0.2829 0.2368 ( 3723 PWs) bands (ev): -12.5545 -12.5545 -12.2807 -12.2807 0.3840 0.3840 0.6397 0.6397 1.9203 1.9203 2.4850 2.4850 2.9442 2.9442 3.2833 3.2833 8.2566 8.2566 9.7887 9.7887 9.9200 9.9200 10.2015 10.2015 10.7077 10.7077 10.8378 10.8378 10.9187 10.9187 11.0817 11.0817 11.3778 11.3778 11.5099 11.5099 11.5851 11.5851 11.7103 11.7103 11.9431 11.9431 12.0736 12.0736 12.3379 12.3379 12.8578 12.8578 12.9319 12.9319 13.0721 13.0721 13.4357 13.4357 13.6456 13.6456 13.9958 13.9958 15.3332 15.3332 16.0351 16.0351 16.2514 16.2514 16.3832 16.3832 16.8971 16.8971 17.3928 17.3928 18.1852 18.1852 k = 0.4850 0.2800 0.2531 ( 3721 PWs) bands (ev): -12.5535 -12.5535 -12.2817 -12.2817 0.3835 0.3835 0.6395 0.6395 1.9192 1.9192 2.4885 2.4885 2.9403 2.9403 3.2860 3.2860 8.2641 8.2641 9.7920 9.7920 9.9238 9.9238 10.2049 10.2049 10.6979 10.6979 10.8334 10.8334 10.9181 10.9181 11.0839 11.0839 11.3611 11.3611 11.5289 11.5289 11.5818 11.5818 11.7077 11.7077 11.9425 11.9425 12.0855 12.0855 12.3403 12.3403 12.8522 12.8522 12.9299 12.9299 13.0755 13.0755 13.4362 13.4362 13.6393 13.6393 13.9923 13.9923 15.2995 15.2995 15.9768 15.9768 16.2705 16.2705 16.3921 16.3921 16.9444 16.9444 17.4305 17.4305 18.1758 18.1758 k = 0.4800 0.2771 0.2694 ( 3715 PWs) bands (ev): -12.5521 -12.5521 -12.2832 -12.2832 0.3829 0.3829 0.6393 0.6393 1.9177 1.9177 2.4933 2.4933 2.9349 2.9349 3.2895 3.2895 8.2745 8.2745 9.7961 9.7961 9.9295 9.9295 10.2096 10.2096 10.6852 10.6852 10.8272 10.8272 10.9167 10.9167 11.0861 11.0861 11.3445 11.3445 11.5463 11.5463 11.5795 11.5795 11.7050 11.7050 11.9423 11.9423 12.1009 12.1009 12.3437 12.3437 12.8453 12.8453 12.9266 12.9266 13.0800 13.0800 13.4368 13.4368 13.6307 13.6307 13.9874 13.9874 15.2550 15.2550 15.9009 15.9009 16.2978 16.2978 16.4127 16.4127 16.9914 16.9914 17.4847 17.4847 18.1591 18.1591 k = 0.4750 0.2742 0.2858 ( 3713 PWs) bands (ev): -12.5503 -12.5503 -12.2850 -12.2850 0.3822 0.3822 0.6389 0.6389 1.9160 1.9160 2.4992 2.4992 2.9285 2.9285 3.2938 3.2938 8.2879 8.2879 9.8008 9.8008 9.9374 9.9374 10.2156 10.2156 10.6703 10.6703 10.8192 10.8192 10.9142 10.9142 11.0877 11.0877 11.3294 11.3294 11.5550 11.5550 11.5836 11.5836 11.7032 11.7032 11.9429 11.9429 12.1191 12.1191 12.3483 12.3483 12.8378 12.8378 12.9217 12.9217 13.0852 13.0852 13.4375 13.4375 13.6200 13.6200 13.9812 13.9812 15.2017 15.2017 15.8145 15.8145 16.3322 16.3322 16.4429 16.4429 17.0332 17.0332 17.5538 17.5538 18.1366 18.1366 k = 0.4700 0.2714 0.3021 ( 3713 PWs) bands (ev): -12.5481 -12.5481 -12.2872 -12.2872 0.3814 0.3814 0.6383 0.6383 1.9140 1.9140 2.5060 2.5060 2.9211 2.9211 3.2987 3.2987 8.3041 8.3041 9.8054 9.8054 9.9478 9.9478 10.2229 10.2229 10.6536 10.6536 10.8096 10.8096 10.9106 10.9106 11.0878 11.0878 11.3165 11.3165 11.5536 11.5536 11.5935 11.5935 11.7040 11.7040 11.9442 11.9442 12.1393 12.1393 12.3544 12.3544 12.8300 12.8300 12.9152 12.9152 13.0908 13.0908 13.4380 13.4380 13.6074 13.6074 13.9735 13.9735 15.1411 15.1411 15.7233 15.7233 16.3722 16.3722 16.4802 16.4802 17.0692 17.0692 17.6340 17.6340 18.1109 18.1109 k = 0.4650 0.2685 0.3184 ( 3715 PWs) bands (ev): -12.5456 -12.5456 -12.2899 -12.2899 0.3806 0.3806 0.6376 0.6376 1.9119 1.9119 2.5137 2.5137 2.9132 2.9132 3.3040 3.3040 8.3231 8.3231 9.8096 9.8096 9.9612 9.9612 10.2314 10.2314 10.6356 10.6356 10.7985 10.7985 10.9061 10.9061 11.0857 11.0857 11.3060 11.3060 11.5491 11.5491 11.6009 11.6009 11.7091 11.7091 11.9462 11.9462 12.1609 12.1609 12.3620 12.3620 12.8225 12.8225 12.9070 12.9070 13.0966 13.0966 13.4382 13.4382 13.5931 13.5931 13.9643 13.9643 15.0747 15.0747 15.6313 15.6313 16.4161 16.4161 16.5226 16.5226 17.1009 17.1009 17.7196 17.7196 18.0855 18.0855 k = 0.4600 0.2656 0.3348 ( 3711 PWs) bands (ev): -12.5426 -12.5426 -12.2929 -12.2929 0.3798 0.3798 0.6366 0.6366 1.9097 1.9097 2.5218 2.5218 2.9049 2.9049 3.3095 3.3095 8.3447 8.3447 9.8130 9.8130 9.9777 9.9777 10.2411 10.2411 10.6165 10.6165 10.7864 10.7864 10.9008 10.9008 11.0810 11.0810 11.2976 11.2976 11.5445 11.5445 11.6026 11.6026 11.7189 11.7189 11.9491 11.9491 12.1833 12.1833 12.3714 12.3714 12.8155 12.8155 12.8972 12.8972 13.1024 13.1024 13.4377 13.4377 13.5774 13.5774 13.9535 13.9535 15.0038 15.0038 15.5412 15.5412 16.4624 16.4624 16.5688 16.5688 17.1306 17.1306 17.8022 17.8022 18.0664 18.0664 k = 0.4550 0.2627 0.3511 ( 3711 PWs) bands (ev): -12.5393 -12.5393 -12.2962 -12.2962 0.3790 0.3790 0.6354 0.6354 1.9075 1.9075 2.5302 2.5302 2.8967 2.8967 3.3151 3.3151 8.3690 8.3690 9.8153 9.8153 9.9974 9.9974 10.2520 10.2520 10.5962 10.5962 10.7736 10.7736 10.8951 10.8951 11.0739 11.0739 11.2907 11.2907 11.5405 11.5405 11.5993 11.5993 11.7320 11.7320 11.9529 11.9529 12.2057 12.2057 12.3826 12.3826 12.8090 12.8090 12.8862 12.8862 13.1079 13.1079 13.4362 13.4362 13.5607 13.5607 13.9411 13.9411 14.9293 14.9293 15.4551 15.4551 16.5093 16.5093 16.6179 16.6179 17.1602 17.1602 17.8660 17.8660 18.0676 18.0676 k = 0.4500 0.2598 0.3674 ( 3713 PWs) bands (ev): -12.5357 -12.5357 -12.3000 -12.3000 0.3784 0.3784 0.6339 0.6339 1.9053 1.9053 2.5385 2.5385 2.8887 2.8887 3.3207 3.3207 8.3958 8.3958 9.8164 9.8164 10.0203 10.0203 10.2639 10.2639 10.5749 10.5749 10.7605 10.7605 10.8892 10.8892 11.0649 11.0649 11.2844 11.2844 11.5373 11.5373 11.5930 11.5930 11.7462 11.7462 11.9579 11.9579 12.2276 12.2276 12.3957 12.3957 12.8028 12.8028 12.8744 12.8744 13.1132 13.1132 13.4333 13.4333 13.5432 13.5432 13.9268 13.9268 14.8523 14.8523 15.3747 15.3747 16.5548 16.5548 16.6689 16.6689 17.1914 17.1914 17.8918 17.8918 18.1067 18.1067 k = 0.4450 0.2569 0.3838 ( 3707 PWs) bands (ev): -12.5317 -12.5317 -12.3040 -12.3040 0.3779 0.3779 0.6321 0.6321 1.9034 1.9034 2.5465 2.5465 2.8814 2.8814 3.3260 3.3260 8.4249 8.4249 9.8161 9.8161 10.0460 10.0460 10.2768 10.2768 10.5526 10.5526 10.7479 10.7479 10.8833 10.8833 11.0546 11.0546 11.2779 11.2779 11.5343 11.5343 11.5859 11.5859 11.7596 11.7596 11.9647 11.9647 12.2484 12.2484 12.4103 12.4103 12.7961 12.7961 12.8629 12.8629 13.1182 13.1182 13.4283 13.4283 13.5253 13.5253 13.9107 13.9107 14.7736 14.7736 15.3016 15.3016 16.5976 16.5976 16.7208 16.7208 17.2255 17.2255 17.8883 17.8883 18.1731 18.1731 k = 0.4400 0.2540 0.4001 ( 3701 PWs) bands (ev): -12.5273 -12.5273 -12.3084 -12.3084 0.3776 0.3776 0.6299 0.6299 1.9016 1.9016 2.5537 2.5537 2.8750 2.8750 3.3312 3.3312 8.4562 8.4562 9.8143 9.8143 10.0742 10.0742 10.2906 10.2906 10.5295 10.5295 10.7361 10.7361 10.8776 10.8776 11.0438 11.0438 11.2705 11.2705 11.5304 11.5304 11.5800 11.5800 11.7709 11.7709 11.9740 11.9740 12.2678 12.2678 12.4258 12.4258 12.7876 12.7876 12.8531 12.8531 13.1230 13.1230 13.4205 13.4205 13.5072 13.5072 13.8929 13.8929 14.6942 14.6942 15.2371 15.2371 16.6366 16.6366 16.7720 16.7720 17.2631 17.2631 17.8765 17.8765 18.2424 18.2424 k = 0.4350 0.2511 0.4164 ( 3703 PWs) bands (ev): -12.5227 -12.5227 -12.3132 -12.3132 0.3776 0.3776 0.6274 0.6274 1.9002 1.9002 2.5598 2.5598 2.8700 2.8700 3.3359 3.3359 8.4894 8.4894 9.8110 9.8110 10.1044 10.1044 10.3053 10.3053 10.5058 10.5058 10.7257 10.7257 10.8720 10.8720 11.0332 11.0332 11.2617 11.2617 11.5245 11.5245 11.5768 11.5768 11.7791 11.7791 11.9864 11.9864 12.2856 12.2856 12.4414 12.4414 12.7757 12.7757 12.8464 12.8464 13.1278 13.1278 13.4090 13.4090 13.4893 13.4893 13.8738 13.8738 14.6148 14.6148 15.1821 15.1821 16.6713 16.6713 16.8204 16.8204 17.3049 17.3049 17.8664 17.8664 18.2971 18.2971 k = 0.4300 0.2483 0.4327 ( 3700 PWs) bands (ev): -12.5178 -12.5178 -12.3182 -12.3182 0.3778 0.3778 0.6246 0.6246 1.8991 1.8991 2.5645 2.5645 2.8665 2.8665 3.3403 3.3403 8.5243 8.5243 9.8059 9.8059 10.1359 10.1359 10.3208 10.3208 10.4824 10.4824 10.7174 10.7174 10.8663 10.8663 11.0235 11.0235 11.2513 11.2513 11.5164 11.5164 11.5767 11.5767 11.7839 11.7839 12.0019 12.0019 12.3020 12.3020 12.4560 12.4560 12.7599 12.7599 12.8432 12.8432 13.1327 13.1327 13.3934 13.3934 13.4718 13.4718 13.8539 13.8539 14.5362 14.5362 15.1375 15.1375 16.7017 16.7017 16.8637 16.8637 17.3509 17.3509 17.8627 17.8627 18.3303 18.3303 k = 0.4250 0.2454 0.4491 ( 3708 PWs) bands (ev): -12.5126 -12.5126 -12.3235 -12.3235 0.3784 0.3784 0.6215 0.6215 1.8983 1.8983 2.5674 2.5674 2.8649 2.8649 3.3441 3.3441 8.5606 8.5606 9.7988 9.7988 10.1675 10.1675 10.3373 10.3373 10.4602 10.4602 10.7112 10.7112 10.8603 10.8603 11.0153 11.0153 11.2393 11.2393 11.5067 11.5067 11.5790 11.5790 11.7856 11.7856 12.0204 12.0204 12.3172 12.3172 12.4686 12.4686 12.7407 12.7407 12.8423 12.8423 13.1377 13.1377 13.3737 13.3737 13.4544 13.4544 13.8342 13.8342 14.4593 14.4593 15.1037 15.1037 16.7280 16.7280 16.8999 16.8999 17.4008 17.4008 17.8677 17.8677 18.3509 18.3509 k = 0.4200 0.2425 0.4654 ( 3709 PWs) bands (ev): -12.5071 -12.5071 -12.3290 -12.3290 0.3792 0.3792 0.6180 0.6180 1.8980 1.8980 2.5683 2.5683 2.8652 2.8652 3.3474 3.3474 8.5980 8.5980 9.7894 9.7894 10.1978 10.1978 10.3548 10.3548 10.4410 10.4410 10.7076 10.7076 10.8538 10.8538 11.0090 11.0090 11.2258 11.2258 11.4965 11.4965 11.5826 11.5826 11.7849 11.7849 12.0410 12.0410 12.3314 12.3314 12.4782 12.4782 12.7193 12.7193 12.8419 12.8419 13.1431 13.1431 13.3506 13.3506 13.4366 13.4366 13.8155 13.8155 14.3849 14.3849 15.0807 15.0807 16.7505 16.7505 16.9275 16.9275 17.4542 17.4542 17.8822 17.8822 18.3659 18.3659 k = 0.4150 0.2396 0.4817 ( 3715 PWs) bands (ev): -12.5015 -12.5015 -12.3347 -12.3347 0.3804 0.3804 0.6143 0.6143 1.8981 1.8981 2.5672 2.5672 2.8676 2.8676 3.3502 3.3502 8.6362 8.6362 9.7773 9.7773 10.2243 10.2243 10.3726 10.3726 10.4282 10.4282 10.7066 10.7066 10.8468 10.8468 11.0050 11.0050 11.2114 11.2114 11.4866 11.4866 11.5864 11.5864 11.7829 11.7829 12.0627 12.0627 12.3449 12.3449 12.4842 12.4842 12.6968 12.6968 12.8399 12.8399 13.1486 13.1486 13.3256 13.3256 13.4180 13.4180 13.7987 13.7987 14.3137 14.3137 15.0682 15.0682 16.7697 16.7697 16.9457 16.9457 17.5101 17.5101 17.9058 17.9058 18.3778 18.3778 k = 0.4100 0.2367 0.4981 ( 3714 PWs) bands (ev): -12.4957 -12.4957 -12.3406 -12.3406 0.3820 0.3820 0.6104 0.6104 1.8987 1.8987 2.5641 2.5641 2.8718 2.8718 3.3523 3.3523 8.6745 8.6745 9.7623 9.7623 10.2446 10.2446 10.3862 10.3862 10.4292 10.4292 10.7081 10.7081 10.8392 10.8392 11.0031 11.0031 11.1964 11.1964 11.4777 11.4777 11.5894 11.5894 11.7808 11.7808 12.0842 12.0842 12.3579 12.3579 12.4859 12.4859 12.6739 12.6739 12.8342 12.8342 13.1541 13.1541 13.3011 13.3011 13.3983 13.3983 13.7842 13.7842 14.2465 14.2465 15.0658 15.0658 16.7858 16.7858 16.9549 16.9549 17.5677 17.5677 17.9363 17.9363 18.3875 18.3875 k = 0.4050 0.2338 0.5144 ( 3716 PWs) bands (ev): -12.4898 -12.4898 -12.3466 -12.3466 0.3838 0.3838 0.6063 0.6063 1.8998 1.8998 2.5591 2.5591 2.8778 2.8778 3.3537 3.3537 8.7126 8.7126 9.7440 9.7440 10.2571 10.2571 10.3916 10.3916 10.4496 10.4496 10.7116 10.7116 10.8316 10.8316 11.0031 11.0031 11.1817 11.1817 11.4699 11.4699 11.5909 11.5909 11.7797 11.7797 12.1041 12.1041 12.3705 12.3705 12.4830 12.4830 12.6517 12.6517 12.8232 12.8232 13.1587 13.1587 13.2800 13.2800 13.3773 13.3773 13.7722 13.7722 14.1842 14.1842 15.0725 15.0725 16.7990 16.7990 16.9563 16.9563 17.6261 17.6261 17.9705 17.9705 18.3955 18.3955 k = 0.4000 0.2309 0.5307 ( 3716 PWs) bands (ev): -12.4838 -12.4838 -12.3526 -12.3526 0.3860 0.3860 0.6020 0.6020 1.9014 1.9014 2.5523 2.5523 2.8852 2.8852 3.3545 3.3545 8.7498 8.7498 9.7224 9.7224 10.2632 10.2632 10.3958 10.3958 10.4813 10.4813 10.7165 10.7165 10.8249 10.8249 11.0044 11.0044 11.1684 11.1684 11.4637 11.4637 11.5904 11.5904 11.7806 11.7806 12.1209 12.1209 12.3822 12.3822 12.4759 12.4759 12.6308 12.6308 12.8058 12.8058 13.1618 13.1618 13.2651 13.2651 13.3552 13.3552 13.7624 13.7624 14.1275 14.1275 15.0872 15.0872 16.8090 16.8090 16.9514 16.9514 17.6840 17.6840 18.0039 18.0039 18.4023 18.4023 k = 0.3950 0.2281 0.5471 ( 3714 PWs) bands (ev): -12.4779 -12.4779 -12.3586 -12.3586 0.3884 0.3884 0.5978 0.5978 1.9035 1.9035 2.5441 2.5441 2.8937 2.8937 3.3546 3.3546 8.7853 8.7853 9.6974 9.6974 10.2662 10.2662 10.4018 10.4018 10.5177 10.5177 10.7212 10.7212 10.8206 10.8206 11.0062 11.0062 11.1577 11.1577 11.4592 11.4592 11.5875 11.5875 11.7840 11.7840 12.1330 12.1330 12.3911 12.3911 12.4672 12.4672 12.6110 12.6110 12.7827 12.7827 13.1630 13.1630 13.2578 13.2578 13.3324 13.3324 13.7544 13.7544 14.0773 14.0773 15.1090 15.1090 16.8151 16.8151 16.9427 16.9427 17.7405 17.7405 18.0319 18.0319 18.4087 18.4087 k = 0.3900 0.2252 0.5634 ( 3718 PWs) bands (ev): -12.4722 -12.4722 -12.3643 -12.3643 0.3911 0.3911 0.5937 0.5937 1.9062 1.9062 2.5346 2.5346 2.9030 2.9030 3.3539 3.3539 8.8185 8.8185 9.6694 9.6694 10.2690 10.2690 10.4093 10.4093 10.5553 10.5553 10.7241 10.7241 10.8205 10.8205 11.0082 11.0082 11.1510 11.1510 11.4563 11.4563 11.5824 11.5824 11.7898 11.7898 12.1391 12.1391 12.3916 12.3916 12.4629 12.4629 12.5918 12.5918 12.7561 12.7561 13.1632 13.1632 13.2567 13.2567 13.3100 13.3100 13.7477 13.7477 14.0342 14.0342 15.1364 15.1364 16.8156 16.8156 16.9332 16.9332 17.7941 17.7941 18.0504 18.0504 18.4154 18.4154 k = 0.3850 0.2223 0.5797 ( 3721 PWs) bands (ev): -12.4669 -12.4669 -12.3697 -12.3697 0.3939 0.3939 0.5897 0.5897 1.9094 1.9094 2.5240 2.5240 2.9129 2.9129 3.3526 3.3526 8.8483 8.8483 9.6389 9.6389 10.2734 10.2734 10.4180 10.4180 10.5907 10.5907 10.7242 10.7242 10.8261 10.8261 11.0106 11.0106 11.1489 11.1489 11.4552 11.4552 11.5758 11.5758 11.7978 11.7978 12.1382 12.1382 12.3799 12.3799 12.4674 12.4674 12.5724 12.5724 12.7294 12.7294 13.1635 13.1635 13.2571 13.2571 13.2914 13.2914 13.7414 13.7414 13.9986 13.9986 15.1682 15.1682 16.8084 16.8084 16.9261 16.9261 17.8435 17.8435 18.0571 18.0571 18.4232 18.4232 k = 0.3800 0.2194 0.5960 ( 3725 PWs) bands (ev): -12.4622 -12.4622 -12.3745 -12.3745 0.3969 0.3969 0.5860 0.5860 1.9132 1.9132 2.5126 2.5126 2.9231 2.9231 3.3505 3.3505 8.8738 8.8738 9.6069 9.6069 10.2801 10.2801 10.4280 10.4280 10.6201 10.6201 10.7229 10.7229 10.8368 10.8368 11.0149 11.0149 11.1514 11.1514 11.4558 11.4558 11.5686 11.5686 11.8070 11.8070 12.1295 12.1295 12.3602 12.3602 12.4747 12.4747 12.5539 12.5539 12.7067 12.7067 13.1643 13.1643 13.2492 13.2492 13.2858 13.2858 13.7352 13.7352 13.9709 13.9709 15.2031 15.2031 16.7923 16.7923 16.9236 16.9236 17.8869 17.8869 18.0518 18.0518 18.4321 18.4321 k = 0.3750 0.2165 0.6124 ( 3727 PWs) bands (ev): -12.4585 -12.4585 -12.3782 -12.3782 0.3998 0.3998 0.5829 0.5829 1.9174 1.9174 2.5004 2.5004 2.9333 2.9333 3.3477 3.3477 8.8938 8.8938 9.5744 9.5744 10.2889 10.2889 10.4401 10.4401 10.6384 10.6384 10.7234 10.7234 10.8511 10.8511 11.0238 11.0238 11.1577 11.1577 11.4581 11.4581 11.5618 11.5618 11.8163 11.8163 12.1134 12.1134 12.3387 12.3387 12.4727 12.4727 12.5425 12.5425 12.6911 12.6911 13.1646 13.1646 13.2347 13.2347 13.2920 13.2920 13.7285 13.7285 13.9508 13.9508 15.2397 15.2397 16.7683 16.7683 16.9256 16.9256 17.9229 17.9229 18.0363 18.0363 18.4411 18.4411 k = 0.6250-0.0722 0.4082 ( 3727 PWs) bands (ev): -12.4585 -12.4585 -12.3782 -12.3782 0.3998 0.3998 0.5829 0.5829 1.9174 1.9174 2.5004 2.5004 2.9333 2.9333 3.3477 3.3477 8.8938 8.8938 9.5745 9.5745 10.2888 10.2888 10.4400 10.4400 10.6385 10.6385 10.7235 10.7235 10.8511 10.8511 11.0238 11.0238 11.1576 11.1576 11.4580 11.4580 11.5618 11.5618 11.8162 11.8162 12.1134 12.1134 12.3388 12.3388 12.4727 12.4727 12.5425 12.5425 12.6911 12.6911 13.1646 13.1646 13.2347 13.2347 13.2920 13.2920 13.7285 13.7285 13.9507 13.9507 15.2397 15.2397 16.7683 16.7683 16.9255 16.9255 17.9229 17.9229 18.0363 18.0363 18.4411 18.4411 k = 0.6167-0.0866 0.4082 ( 3727 PWs) bands (ev): -12.4535 -12.4535 -12.3832 -12.3832 0.4047 0.4047 0.5780 0.5780 1.9255 1.9255 2.4792 2.4792 2.9503 2.9503 3.3419 3.3419 8.9212 8.9212 9.5208 9.5208 10.3050 10.3050 10.4624 10.4624 10.6502 10.6502 10.7327 10.7327 10.8778 10.8778 11.0458 11.0458 11.1707 11.1707 11.4631 11.4631 11.5526 11.5526 11.8289 11.8289 12.0829 12.0829 12.3038 12.3038 12.4540 12.4540 12.5295 12.5295 12.6770 12.6770 13.1638 13.1638 13.2093 13.2093 13.3072 13.3072 13.7176 13.7176 13.9249 13.9249 15.3037 15.3037 16.7192 16.7192 16.9355 16.9355 17.9736 17.9736 17.9972 17.9972 18.4543 18.4543 k = 0.6083-0.1010 0.4082 ( 3720 PWs) bands (ev): -12.4489 -12.4489 -12.3879 -12.3879 0.4099 0.4099 0.5732 0.5732 1.9347 1.9347 2.4571 2.4571 2.9674 2.9674 3.3352 3.3352 8.9467 8.9467 9.4688 9.4688 10.3220 10.3220 10.4845 10.4845 10.6504 10.6504 10.7495 10.7495 10.9055 10.9055 11.0722 11.0722 11.1840 11.1840 11.4682 11.4682 11.5463 11.5463 11.8362 11.8362 12.0582 12.0582 12.2692 12.2692 12.4335 12.4335 12.5088 12.5088 12.6714 12.6714 13.1640 13.1640 13.1805 13.1805 13.3205 13.3205 13.7082 13.7082 13.9018 13.9018 15.3724 15.3724 16.6656 16.6656 16.9507 16.9507 17.9381 17.9381 18.0307 18.0307 18.4643 18.4652 k = 0.6000-0.1155 0.4082 ( 3718 PWs) bands (ev): -12.4445 -12.4445 -12.3923 -12.3923 0.4155 0.4155 0.5683 0.5683 1.9449 1.9449 2.4343 2.4343 2.9845 2.9845 3.3275 3.3275 8.9705 8.9705 9.4191 9.4191 10.3394 10.3394 10.5051 10.5051 10.6468 10.6468 10.7675 10.7675 10.9337 10.9337 11.1022 11.1022 11.1970 11.1970 11.4733 11.4733 11.5437 11.5437 11.8351 11.8351 12.0425 12.0425 12.2352 12.2352 12.4109 12.4109 12.4833 12.4833 12.6717 12.6717 13.1487 13.1487 13.1652 13.1652 13.3306 13.3306 13.7008 13.7008 13.8814 13.8814 15.4453 15.4453 16.6104 16.6104 16.9689 16.9689 17.8737 17.8737 18.0832 18.0832 18.4626 18.4626 k = 0.5917-0.1299 0.4082 ( 3716 PWs) bands (ev): -12.4404 -12.4404 -12.3963 -12.3963 0.4213 0.4213 0.5633 0.5633 1.9563 1.9563 2.4110 2.4110 3.0017 3.0017 3.3190 3.3190 8.9924 8.9924 9.3722 9.3722 10.3568 10.3568 10.5220 10.5220 10.6451 10.6451 10.7836 10.7836 10.9623 10.9623 11.1346 11.1346 11.2090 11.2090 11.4784 11.4784 11.5451 11.5451 11.8243 11.8243 12.0374 12.0374 12.2019 12.2019 12.3863 12.3863 12.4562 12.4562 12.6754 12.6754 13.1148 13.1148 13.1672 13.1672 13.3372 13.3372 13.6956 13.6956 13.8635 13.8635 15.5217 15.5217 16.5555 16.5555 16.9894 16.9894 17.8034 17.8034 18.1351 18.1351 18.4650 18.4650 k = 0.5833-0.1443 0.4082 ( 3722 PWs) bands (ev): -12.4367 -12.4367 -12.4001 -12.4001 0.4275 0.4275 0.5581 0.5581 1.9687 1.9687 2.3871 2.3871 3.0187 3.0187 3.3097 3.3097 9.0124 9.0124 9.3286 9.3286 10.3739 10.3739 10.5327 10.5327 10.6495 10.6495 10.7967 10.7967 10.9907 10.9907 11.1677 11.1677 11.2198 11.2198 11.4840 11.4840 11.5505 11.5505 11.8054 11.8054 12.0420 12.0420 12.1696 12.1696 12.3597 12.3597 12.4294 12.4294 12.6806 12.6806 13.0786 13.0786 13.1703 13.1703 13.3404 13.3404 13.6925 13.6925 13.8475 13.8475 15.6008 15.6008 16.5020 16.5020 17.0117 17.0117 17.7304 17.7304 18.1853 18.1853 18.4703 18.4703 k = 0.5750-0.1588 0.4082 ( 3726 PWs) bands (ev): -12.4333 -12.4333 -12.4035 -12.4035 0.4339 0.4339 0.5528 0.5528 1.9822 1.9822 2.3629 2.3629 3.0357 3.0357 3.2995 3.2995 9.0307 9.0307 9.2885 9.2885 10.3903 10.3903 10.5361 10.5361 10.6619 10.6619 10.8070 10.8070 11.0187 11.0187 11.1988 11.1988 11.2298 11.2298 11.4903 11.4903 11.5594 11.5594 11.7820 11.7820 12.0531 12.0531 12.1387 12.1387 12.3315 12.3315 12.4041 12.4041 12.6863 12.6863 13.0406 13.0406 13.1745 13.1745 13.3405 13.3405 13.6916 13.6916 13.8333 13.8333 15.6817 15.6817 16.4510 16.4510 17.0352 17.0352 17.6567 17.6567 18.2331 18.2331 18.4764 18.4764 k = 0.5667-0.1732 0.4082 ( 3722 PWs) bands (ev): -12.4302 -12.4302 -12.4066 -12.4066 0.4405 0.4405 0.5473 0.5473 1.9967 1.9967 2.3385 2.3385 3.0526 3.0526 3.2887 3.2887 9.0471 9.0471 9.2522 9.2522 10.4058 10.4058 10.5336 10.5336 10.6808 10.6808 10.8149 10.8149 11.0458 11.0458 11.2208 11.2208 11.2443 11.2443 11.4974 11.4974 11.5710 11.5710 11.7578 11.7578 12.0680 12.0680 12.1097 12.1097 12.3025 12.3025 12.3806 12.3806 12.6921 12.6921 13.0016 13.0016 13.1799 13.1799 13.3378 13.3378 13.6925 13.6925 13.8204 13.8204 15.7631 15.7631 16.4032 16.4032 17.0596 17.0596 17.5835 17.5835 18.2776 18.2776 18.4817 18.4817 k = 0.5583-0.1876 0.4082 ( 3714 PWs) bands (ev): -12.4275 -12.4275 -12.4094 -12.4094 0.4473 0.4473 0.5417 0.5417 2.0123 2.0123 2.3139 2.3139 3.0693 3.0693 3.2771 3.2771 9.0616 9.0616 9.2198 9.2198 10.4201 10.4201 10.5280 10.5280 10.7037 10.7037 10.8208 10.8208 11.0715 11.0715 11.2278 11.2278 11.2684 11.2684 11.5041 11.5041 11.5847 11.5847 11.7360 11.7360 12.0791 12.0791 12.0887 12.0887 12.2734 12.2734 12.3589 12.3589 12.6976 12.6976 12.9622 12.9622 13.1865 13.1865 13.3328 13.3328 13.6951 13.6951 13.8086 13.8086 15.8438 15.8438 16.3595 16.3595 17.0844 17.0844 17.5121 17.5121 18.3179 18.3179 18.4851 18.4851 k = 0.5500-0.2021 0.4082 ( 3714 PWs) bands (ev): -12.4251 -12.4251 -12.4118 -12.4118 0.4542 0.4542 0.5358 0.5358 2.0289 2.0289 2.2894 2.2894 3.0859 3.0859 3.2650 3.2650 9.0742 9.0742 9.1915 9.1915 10.4332 10.4332 10.5210 10.5210 10.7282 10.7282 10.8252 10.8252 11.0954 11.0954 11.2276 11.2276 11.2938 11.2938 11.5080 11.5080 11.5999 11.5999 11.7194 11.7194 12.0582 12.0582 12.1027 12.1027 12.2456 12.2456 12.3390 12.3390 12.7028 12.7028 12.9232 12.9232 13.1944 13.1944 13.3259 13.3259 13.6991 13.6991 13.7976 13.7976 15.9220 15.9220 16.3203 16.3203 17.1088 17.1088 17.4435 17.4435 18.3530 18.3530 18.4861 18.4861 k = 0.5417-0.2165 0.4082 ( 3726 PWs) bands (ev): -12.4231 -12.4231 -12.4138 -12.4138 0.4613 0.4613 0.5297 0.5297 2.0465 2.0465 2.2649 2.2649 3.1024 3.1024 3.2522 3.2522 9.0850 9.0850 9.1674 9.1674 10.4449 10.4449 10.5138 10.5138 10.7528 10.7528 10.8283 10.8283 11.1170 11.1170 11.2237 11.2237 11.3178 11.3178 11.5064 11.5064 11.6162 11.6162 11.7092 11.7092 12.0392 12.0392 12.1163 12.1163 12.2216 12.2216 12.3206 12.3206 12.7078 12.7078 12.8856 12.8856 13.2034 13.2034 13.3174 13.3174 13.7042 13.7042 13.7871 13.7871 15.9960 15.9960 16.2863 16.2863 17.1320 17.1320 17.3792 17.3792 18.3823 18.3823 18.4839 18.4839 k = 0.5333-0.2309 0.4082 ( 3738 PWs) bands (ev): -12.4214 -12.4214 -12.4155 -12.4155 0.4684 0.4684 0.5235 0.5235 2.0650 2.0650 2.2407 2.2407 3.1186 3.1186 3.2389 3.2389 9.0938 9.0938 9.1475 9.1475 10.4551 10.4551 10.5069 10.5069 10.7759 10.7759 10.8305 10.8305 11.1359 11.1359 11.2171 11.2171 11.3406 11.3406 11.4984 11.4984 11.6329 11.6329 11.7051 11.7051 12.0261 12.0261 12.1214 12.1214 12.2065 12.2065 12.3038 12.3038 12.7131 12.7131 12.8505 12.8505 13.2136 13.2136 13.3077 13.3077 13.7102 13.7102 13.7771 13.7771 16.0633 16.0633 16.2578 16.2578 17.1532 17.1532 17.3208 17.3208 18.4055 18.4055 18.4781 18.4781 k = 0.5250-0.2454 0.4082 ( 3718 PWs) bands (ev): -12.4201 -12.4201 -12.4168 -12.4168 0.4756 0.4756 0.5171 0.5171 2.0845 2.0845 2.2167 2.2167 3.1347 3.1347 3.2252 3.2252 9.1007 9.1007 9.1320 9.1320 10.4639 10.4639 10.5005 10.5005 10.7963 10.7963 10.8319 10.8319 11.1518 11.1518 11.2090 11.2090 11.3626 11.3626 11.4847 11.4847 11.6493 11.6493 11.7038 11.7038 12.0204 12.0204 12.1122 12.1122 12.2060 12.2060 12.2882 12.2882 12.7192 12.7192 12.8187 12.8187 13.2246 13.2246 13.2969 13.2969 13.7170 13.7170 13.7675 13.7675 16.1212 16.1212 16.2353 16.2353 17.1712 17.1712 17.2705 17.2705 18.4228 18.4228 18.4691 18.4692 k = 0.5167-0.2598 0.4082 ( 3708 PWs) bands (ev): -12.4192 -12.4192 -12.4177 -12.4177 0.4827 0.4827 0.5105 0.5105 2.1048 2.1048 2.1932 2.1932 3.1505 3.1505 3.2110 3.2110 9.1057 9.1057 9.1209 9.1209 10.4714 10.4714 10.4947 10.4947 10.8127 10.8127 10.8325 10.8325 11.1647 11.1647 11.2004 11.2004 11.3842 11.3842 11.4672 11.4672 11.6646 11.6646 11.7021 11.7021 12.0227 12.0227 12.0928 12.0928 12.2160 12.2160 12.2734 12.2734 12.7269 12.7269 12.7912 12.7912 13.2364 13.2364 13.2854 13.2854 13.7243 13.7243 13.7582 13.7582 16.1663 16.1663 16.2190 16.2190 17.1851 17.1851 17.2313 17.2313 18.4347 18.4347 18.4589 18.4589 k = 0.5083-0.2742 0.4082 ( 3700 PWs) bands (ev): -12.4186 -12.4186 -12.4182 -12.4182 0.4898 0.4898 0.5037 0.5037 2.1259 2.1259 2.1702 2.1702 3.1661 3.1661 3.1963 3.1963 9.1088 9.1088 9.1140 9.1140 10.4779 10.4779 10.4892 10.4892 10.8239 10.8239 10.8321 10.8321 11.1751 11.1751 11.1920 11.1920 11.4056 11.4056 11.4476 11.4476 11.6782 11.6782 11.6975 11.6975 12.0330 12.0330 12.0705 12.0705 12.2299 12.2299 12.2590 12.2590 12.7370 12.7370 12.7685 12.7685 13.2485 13.2485 13.2733 13.2733 13.7322 13.7322 13.7492 13.7492 16.1952 16.1952 16.2091 16.2091 17.1938 17.1938 17.2060 17.2060 18.4418 18.4418 18.4504 18.4504 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -12.4184 -12.4184 -12.4184 -12.4184 0.4968 0.4968 0.4968 0.4968 2.1477 2.1477 2.1477 2.1477 3.1814 3.1814 3.1814 3.1814 9.1108 9.1108 9.1108 9.1108 10.4837 10.4837 10.4838 10.4838 10.8298 10.8298 10.8299 10.8299 11.1837 11.1837 11.1838 11.1838 11.4268 11.4268 11.4269 11.4269 11.6894 11.6894 11.6894 11.6894 12.0496 12.0496 12.0497 12.0497 12.2444 12.2444 12.2445 12.2445 12.7505 12.7505 12.7506 12.7506 13.2609 13.2609 13.2610 13.2610 13.7405 13.7405 13.7406 13.7406 16.2055 16.2055 16.2055 16.2055 17.1970 17.1970 17.1971 17.1971 18.4457 18.4457 18.4457 18.4457 Writing output data file BaPt2.save init_run : 0.39s CPU 0.53s WALL ( 1 calls) electrons : 323.73s CPU 328.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 323.73s CPU 328.01s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 272 calls) cegterg : 305.63s CPU 309.32s WALL ( 592 calls) Called by sum_band: Called by *egterg: h_psi : 166.76s CPU 169.14s WALL ( 9505 calls) s_psi : 13.36s CPU 13.26s WALL ( 9505 calls) g_psi : 0.31s CPU 0.34s WALL ( 8641 calls) cdiaghg : 111.82s CPU 113.04s WALL ( 8913 calls) cegterg:over : 11.25s CPU 11.48s WALL ( 8641 calls) cegterg:upda : 8.80s CPU 9.07s WALL ( 8641 calls) cegterg:last : 4.65s CPU 4.62s WALL ( 1408 calls) cdiaghg:chol : 6.51s CPU 6.49s WALL ( 8913 calls) cdiaghg:inve : 4.87s CPU 4.75s WALL ( 8913 calls) cdiaghg:para : 8.00s CPU 8.07s WALL ( 17826 calls) Called by h_psi: h_psi:vloc : 139.72s CPU 141.71s WALL ( 9505 calls) h_psi:vnl : 26.75s CPU 27.08s WALL ( 9505 calls) add_vuspsi : 15.22s CPU 15.33s WALL ( 9505 calls) General routines calbec : 11.51s CPU 11.71s WALL ( 9505 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 128.83s CPU 130.79s WALL ( 1286620 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 544 calls) Parallel routines fft_scatter : 41.24s CPU 42.12s WALL ( 1286643 calls) PWSCF : 5m40.58s CPU 5m54.04s WALL This run was terminated on: 14: 7:58 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=