Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:31:41 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: ./ScInCu2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 55 28 8 1634 582 93 Max 56 29 9 1638 603 96 Sum 1993 1027 301 58887 21331 3383 bravais-lattice index = 14 lattice parameter (alat) = 8.5011 a.u. unit-cell volume = 434.4277 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.501147 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 In 13.00 114.81800 In( 1.00) Sc 11.00 44.95590 Sc( 1.00) Cu 11.00 63.54600 Cu( 1.00) 12 Sym. Ops., with inversion, found 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 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0030120 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0030120 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0030120 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0030120 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0030120 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0030120 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0030120 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0030120 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0030120 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0030120 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0030120 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0030120 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0030120 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0030120 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0030120 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0030120 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0030120 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0030120 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0030120 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0030120 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0030120 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0030120 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0030120 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0030120 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0030120 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0030120 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0030120 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0030120 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0030120 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0030120 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0030120 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0030120 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0030120 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0030120 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0030120 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0030120 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0030120 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0030120 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0030120 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0030120 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0030120 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0030120 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0030120 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0030120 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0030120 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0030120 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0030120 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0030120 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0030120 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030120 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030120 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030120 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030120 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030120 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030120 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030120 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030120 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030120 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030120 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030120 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030120 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030120 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030120 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030120 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030120 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030120 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030120 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030120 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030120 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030120 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030120 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030120 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030120 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 78) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030120 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030120 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030120 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030120 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030120 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030120 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030120 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030120 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030120 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030120 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030120 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030120 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030120 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030120 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030120 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030120 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030120 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0030120 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0030120 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0030120 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0030120 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0030120 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0030120 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0030120 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0030120 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0030120 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0030120 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0030120 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0030120 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0030120 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0030120 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0030120 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0030120 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0030120 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0030120 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0030120 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0030120 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0030120 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0030120 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0030120 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0030120 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0030120 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0030120 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0030120 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0030120 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0030120 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0030120 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0030120 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0030120 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0030120 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0030120 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0030120 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0030120 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0030120 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0030120 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0030120 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0030120 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0030120 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0030120 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0030120 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0030120 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0030120 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0030120 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0030120 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0030120 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0030120 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0030120 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0030120 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 152) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030120 k( 153) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030120 k( 154) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030120 k( 155) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030120 k( 156) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030120 k( 157) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030120 k( 158) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030120 k( 159) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030120 k( 160) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030120 k( 161) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030120 k( 162) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030120 k( 163) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030120 k( 164) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030120 k( 165) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030120 k( 166) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030120 k( 167) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030120 k( 168) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030120 k( 169) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030120 k( 170) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030120 k( 171) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030120 k( 172) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030120 k( 173) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030120 k( 174) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030120 k( 175) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030120 k( 176) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030120 k( 177) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030120 k( 178) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030120 k( 179) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030120 k( 180) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030120 k( 181) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030120 k( 182) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030120 k( 183) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030120 k( 184) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030120 k( 185) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030120 k( 186) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030120 k( 187) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030120 k( 188) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030120 k( 189) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030120 k( 190) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030120 k( 191) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030120 k( 192) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030120 k( 193) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030120 k( 194) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 196) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0030120 k( 197) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0030120 k( 198) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0030120 k( 199) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0030120 k( 200) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0030120 k( 201) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0030120 k( 202) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0030120 k( 203) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0030120 k( 204) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0030120 k( 205) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0030120 k( 206) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0030120 k( 207) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0030120 k( 208) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0030120 k( 209) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0030120 k( 210) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0030120 k( 211) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0030120 k( 212) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0030120 k( 213) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0030120 k( 214) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0030120 k( 215) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0030120 k( 216) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0030120 k( 217) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0030120 k( 218) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0030120 k( 219) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0030120 k( 220) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0030120 k( 221) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0030120 k( 222) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0030120 k( 223) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0030120 k( 224) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0030120 k( 225) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0030120 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 228) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030120 k( 229) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030120 k( 230) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030120 k( 231) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030120 k( 232) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030120 k( 233) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030120 k( 234) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030120 k( 235) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030120 k( 236) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030120 k( 237) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030120 k( 238) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030120 k( 239) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030120 k( 240) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030120 k( 241) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030120 k( 242) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030120 k( 243) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030120 k( 244) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030120 k( 245) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 246) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 247) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030120 k( 248) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030120 k( 249) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030120 k( 250) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030120 k( 251) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030120 k( 252) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030120 k( 253) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030120 k( 254) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030120 k( 255) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030120 k( 256) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030120 k( 257) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030120 k( 258) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030120 k( 259) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030120 k( 260) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030120 k( 261) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030120 k( 262) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030120 k( 263) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030120 k( 264) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030120 k( 265) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030120 k( 266) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030120 k( 267) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030120 k( 268) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030120 k( 269) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030120 k( 270) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030120 k( 271) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030120 k( 272) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030120 k( 273) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030120 k( 274) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030120 k( 275) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030120 k( 276) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030120 k( 277) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030120 k( 278) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030120 k( 279) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030120 k( 280) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030120 k( 281) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 282) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 283) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0030120 k( 284) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0030120 k( 285) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0030120 k( 286) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0030120 k( 287) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0030120 k( 288) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0030120 k( 289) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0030120 k( 290) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0030120 k( 291) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0030120 k( 292) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0030120 k( 293) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0030120 k( 294) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0030120 k( 295) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0030120 k( 296) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0030120 k( 297) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0030120 k( 298) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0030120 k( 299) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0030120 k( 300) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0030120 k( 301) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0030120 k( 302) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0030120 k( 303) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0030120 k( 304) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0030120 k( 305) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0030120 k( 306) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0030120 k( 307) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0030120 k( 308) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0030120 k( 309) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0030120 k( 310) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0030120 k( 311) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0030120 k( 312) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0030120 k( 313) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 314) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 315) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030120 k( 316) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030120 k( 317) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030120 k( 318) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030120 k( 319) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030120 k( 320) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030120 k( 321) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030120 k( 322) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030120 k( 323) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030120 k( 324) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030120 k( 325) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030120 k( 326) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030120 k( 327) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030120 k( 328) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030120 k( 329) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030120 k( 330) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030120 k( 331) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030120 k( 332) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0030120 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0030120 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0030120 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0030120 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0030120 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0030120 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0030120 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0030120 k( 10) = ( 0.0900000 -0.0000000 0.0900000), wk = 0.0030120 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0030120 k( 12) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0030120 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0030120 k( 14) = ( 0.1300000 -0.0000000 0.1300000), wk = 0.0030120 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0030120 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0030120 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0030120 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0030120 k( 19) = ( 0.1800000 -0.0000000 0.1800000), wk = 0.0030120 k( 20) = ( 0.1900000 -0.0000000 0.1900000), wk = 0.0030120 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0030120 k( 22) = ( 0.2100000 -0.0000000 0.2100000), wk = 0.0030120 k( 23) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0030120 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0030120 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0030120 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030120 k( 27) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0030120 k( 28) = ( 0.2700000 0.0000000 0.2700000), wk = 0.0030120 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0030120 k( 30) = ( 0.2900000 0.0000000 0.2900000), wk = 0.0030120 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0030120 k( 32) = ( 0.3100000 0.0000000 0.3100000), wk = 0.0030120 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0030120 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0030120 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0030120 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0030120 k( 37) = ( 0.3600000 -0.0000000 0.3600000), wk = 0.0030120 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0030120 k( 39) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0030120 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0030120 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0030120 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0030120 k( 43) = ( 0.4200000 -0.0000000 0.4200000), wk = 0.0030120 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0030120 k( 45) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0030120 k( 46) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0030120 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0030120 k( 48) = ( 0.4700000 -0.0000000 0.4700000), wk = 0.0030120 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0030120 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0030120 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030120 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030120 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030120 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030120 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030120 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030120 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030120 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030120 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030120 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030120 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030120 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030120 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030120 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030120 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030120 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030120 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030120 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030120 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030120 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030120 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030120 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030120 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030120 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030120 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030120 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030120 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030120 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030120 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030120 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030120 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030120 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030120 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030120 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030120 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030120 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030120 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030120 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030120 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030120 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030120 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030120 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0030120 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0030120 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0030120 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0030120 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0030120 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0030120 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0030120 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0030120 k( 106) = ( 0.3113207 0.3113208 0.6226415), wk = 0.0030120 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0030120 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0030120 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0030120 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0030120 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0030120 k( 112) = ( 0.2688679 0.2688679 0.5377359), wk = 0.0030120 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0030120 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0030120 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0030120 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0030120 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0030120 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0030120 k( 119) = ( 0.2193396 0.2193396 0.4386793), wk = 0.0030120 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0030120 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0030120 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0030120 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0030120 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0030120 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0030120 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0030120 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0030120 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0030120 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0030120 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0030120 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0030120 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0030120 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0030120 k( 134) = ( 0.1132076 0.1132076 0.2264151), wk = 0.0030120 k( 135) = ( 0.1061321 0.1061321 0.2122642), wk = 0.0030120 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0030120 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0030120 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0030120 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0030120 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0030120 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0030120 k( 142) = ( 0.0566038 0.0566038 0.1132076), wk = 0.0030120 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0030120 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0030120 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0030120 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0030120 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0030120 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0030120 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 152) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030120 k( 153) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030120 k( 154) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030120 k( 155) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030120 k( 156) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030120 k( 157) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030120 k( 158) = ( 0.0813954 0.0813954 0.0813953), wk = 0.0030120 k( 159) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030120 k( 160) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030120 k( 161) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030120 k( 162) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030120 k( 163) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030120 k( 164) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030120 k( 165) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030120 k( 166) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030120 k( 167) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030120 k( 168) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030120 k( 169) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030120 k( 170) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030120 k( 171) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030120 k( 172) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030120 k( 173) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030120 k( 174) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030120 k( 175) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030120 k( 176) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030120 k( 177) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030120 k( 178) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030120 k( 179) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030120 k( 180) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030120 k( 181) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030120 k( 182) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030120 k( 183) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030120 k( 184) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030120 k( 185) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030120 k( 186) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030120 k( 187) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0030120 k( 188) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030120 k( 189) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030120 k( 190) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030120 k( 191) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030120 k( 192) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030120 k( 193) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030120 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 196) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0030120 k( 197) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0030120 k( 198) = ( 0.5120968 0.4758065 0.5120968), wk = 0.0030120 k( 199) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0030120 k( 200) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0030120 k( 201) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0030120 k( 202) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0030120 k( 203) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0030120 k( 204) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0030120 k( 205) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0030120 k( 206) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0030120 k( 207) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0030120 k( 208) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0030120 k( 209) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0030120 k( 210) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0030120 k( 211) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0030120 k( 212) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0030120 k( 213) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0030120 k( 214) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0030120 k( 215) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0030120 k( 216) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0030120 k( 217) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0030120 k( 218) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0030120 k( 219) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0030120 k( 220) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0030120 k( 221) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0030120 k( 222) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0030120 k( 223) = ( 0.6129032 0.2741936 0.6129032), wk = 0.0030120 k( 224) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0030120 k( 225) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0030120 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 228) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030120 k( 229) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030120 k( 230) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030120 k( 231) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030120 k( 232) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030120 k( 233) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030120 k( 234) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030120 k( 235) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030120 k( 236) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030120 k( 237) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030120 k( 238) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030120 k( 239) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030120 k( 240) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030120 k( 241) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030120 k( 242) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030120 k( 243) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030120 k( 244) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030120 k( 245) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 247) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030120 k( 248) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030120 k( 249) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030120 k( 250) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030120 k( 251) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030120 k( 252) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030120 k( 253) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030120 k( 254) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030120 k( 255) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030120 k( 256) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030120 k( 257) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030120 k( 258) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030120 k( 259) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030120 k( 260) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030120 k( 261) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030120 k( 262) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030120 k( 263) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030120 k( 264) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030120 k( 265) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030120 k( 266) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030120 k( 267) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030120 k( 268) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030120 k( 269) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030120 k( 270) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030120 k( 271) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030120 k( 272) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030120 k( 273) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030120 k( 274) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030120 k( 275) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030120 k( 276) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030120 k( 277) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030120 k( 278) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030120 k( 279) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030120 k( 280) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030120 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 283) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0030120 k( 284) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0030120 k( 285) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0030120 k( 286) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0030120 k( 287) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0030120 k( 288) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0030120 k( 289) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0030120 k( 290) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0030120 k( 291) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0030120 k( 292) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0030120 k( 293) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0030120 k( 294) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0030120 k( 295) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0030120 k( 296) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0030120 k( 297) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0030120 k( 298) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0030120 k( 299) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0030120 k( 300) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0030120 k( 301) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0030120 k( 302) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0030120 k( 303) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0030120 k( 304) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0030120 k( 305) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0030120 k( 306) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0030120 k( 307) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0030120 k( 308) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0030120 k( 309) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0030120 k( 310) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0030120 k( 311) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0030120 k( 312) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0030120 k( 313) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 314) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 315) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030120 k( 316) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030120 k( 317) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030120 k( 318) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030120 k( 319) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030120 k( 320) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030120 k( 321) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030120 k( 322) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030120 k( 323) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030120 k( 324) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030120 k( 325) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030120 k( 326) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030120 k( 327) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030120 k( 328) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030120 k( 329) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030120 k( 330) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030120 k( 331) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030120 k( 332) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 Dense grid: 58887 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21331 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 158, 56) NL pseudopotentials 0.16 Mb ( 79, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1635) G-vector shells 0.00 Mb ( 439) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 158, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.23 Mb ( 136, 2, 56) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ScInCu2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.3 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.2 secs Computing kpt #: 18 total cpu time spent up to now is 11.6 secs Computing kpt #: 19 total cpu time spent up to now is 12.0 secs Computing kpt #: 20 total cpu time spent up to now is 12.4 secs Computing kpt #: 21 total cpu time spent up to now is 12.8 secs Computing kpt #: 22 total cpu time spent up to now is 13.3 secs Computing kpt #: 23 total cpu time spent up to now is 13.7 secs Computing kpt #: 24 total cpu time spent up to now is 14.1 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 14.9 secs Computing kpt #: 27 total cpu time spent up to now is 15.3 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.2 secs Computing kpt #: 30 total cpu time spent up to now is 16.6 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.5 secs Computing kpt #: 33 total cpu time spent up to now is 17.9 secs Computing kpt #: 34 total cpu time spent up to now is 18.4 secs Computing kpt #: 35 total cpu time spent up to now is 18.8 secs Computing kpt #: 36 total cpu time spent up to now is 19.2 secs Computing kpt #: 37 total cpu time spent up to now is 19.6 secs Computing kpt #: 38 total cpu time spent up to now is 20.0 secs Computing kpt #: 39 total cpu time spent up to now is 20.4 secs Computing kpt #: 40 total cpu time spent up to now is 20.8 secs Computing kpt #: 41 total cpu time spent up to now is 21.3 secs Computing kpt #: 42 total cpu time spent up to now is 21.7 secs Computing kpt #: 43 total cpu time spent up to now is 22.2 secs Computing kpt #: 44 total cpu time spent up to now is 22.6 secs Computing kpt #: 45 total cpu time spent up to now is 23.1 secs Computing kpt #: 46 total cpu time spent up to now is 23.5 secs Computing kpt #: 47 total cpu time spent up to now is 23.9 secs Computing kpt #: 48 total cpu time spent up to now is 24.2 secs Computing kpt #: 49 total cpu time spent up to now is 24.6 secs Computing kpt #: 50 total cpu time spent up to now is 25.0 secs Computing kpt #: 51 total cpu time spent up to now is 25.4 secs Computing kpt #: 52 total cpu time spent up to now is 25.8 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.5 secs Computing kpt #: 55 total cpu time spent up to now is 26.9 secs Computing kpt #: 56 total cpu time spent up to now is 27.3 secs Computing kpt #: 57 total cpu time spent up to now is 27.7 secs Computing kpt #: 58 total cpu time spent up to now is 28.1 secs Computing kpt #: 59 total cpu time spent up to now is 28.5 secs Computing kpt #: 60 total cpu time spent up to now is 28.9 secs Computing kpt #: 61 total cpu time spent up to now is 29.3 secs Computing kpt #: 62 total cpu time spent up to now is 29.7 secs Computing kpt #: 63 total cpu time spent up to now is 30.1 secs Computing kpt #: 64 total cpu time spent up to now is 30.5 secs Computing kpt #: 65 total cpu time spent up to now is 30.9 secs Computing kpt #: 66 total cpu time spent up to now is 31.3 secs Computing kpt #: 67 total cpu time spent up to now is 31.7 secs Computing kpt #: 68 total cpu time spent up to now is 32.1 secs Computing kpt #: 69 total cpu time spent up to now is 32.5 secs Computing kpt #: 70 total cpu time spent up to now is 32.8 secs Computing kpt #: 71 total cpu time spent up to now is 33.2 secs Computing kpt #: 72 total cpu time spent up to now is 33.6 secs Computing kpt #: 73 total cpu time spent up to now is 34.0 secs Computing kpt #: 74 total cpu time spent up to now is 34.3 secs Computing kpt #: 75 total cpu time spent up to now is 34.7 secs Computing kpt #: 76 total cpu time spent up to now is 35.1 secs Computing kpt #: 77 total cpu time spent up to now is 35.5 secs Computing kpt #: 78 total cpu time spent up to now is 35.8 secs Computing kpt #: 79 total cpu time spent up to now is 36.2 secs Computing kpt #: 80 total cpu time spent up to now is 36.6 secs Computing kpt #: 81 total cpu time spent up to now is 36.9 secs Computing kpt #: 82 total cpu time spent up to now is 37.3 secs Computing kpt #: 83 total cpu time spent up to now is 37.7 secs Computing kpt #: 84 total cpu time spent up to now is 38.1 secs Computing kpt #: 85 total cpu time spent up to now is 38.4 secs Computing kpt #: 86 total cpu time spent up to now is 38.8 secs Computing kpt #: 87 total cpu time spent up to now is 39.2 secs Computing kpt #: 88 total cpu time spent up to now is 39.6 secs Computing kpt #: 89 total cpu time spent up to now is 40.0 secs Computing kpt #: 90 total cpu time spent up to now is 40.4 secs Computing kpt #: 91 total cpu time spent up to now is 40.8 secs Computing kpt #: 92 total cpu time spent up to now is 41.2 secs Computing kpt #: 93 total cpu time spent up to now is 41.6 secs Computing kpt #: 94 total cpu time spent up to now is 42.0 secs Computing kpt #: 95 total cpu time spent up to now is 42.4 secs Computing kpt #: 96 total cpu time spent up to now is 42.8 secs Computing kpt #: 97 total cpu time spent up to now is 43.2 secs Computing kpt #: 98 total cpu time spent up to now is 43.6 secs Computing kpt #: 99 total cpu time spent up to now is 44.0 secs Computing kpt #: 100 total cpu time spent up to now is 44.4 secs Computing kpt #: 101 total cpu time spent up to now is 44.8 secs Computing kpt #: 102 total cpu time spent up to now is 45.2 secs Computing kpt #: 103 total cpu time spent up to now is 45.5 secs Computing kpt #: 104 total cpu time spent up to now is 45.9 secs Computing kpt #: 105 total cpu time spent up to now is 46.4 secs Computing kpt #: 106 total cpu time spent up to now is 46.8 secs Computing kpt #: 107 total cpu time spent up to now is 47.1 secs Computing kpt #: 108 total cpu time spent up to now is 47.6 secs Computing kpt #: 109 total cpu time spent up to now is 48.0 secs Computing kpt #: 110 total cpu time spent up to now is 48.4 secs Computing kpt #: 111 total cpu time spent up to now is 48.8 secs Computing kpt #: 112 total cpu time spent up to now is 49.8 secs Computing kpt #: 113 total cpu time spent up to now is 50.2 secs Computing kpt #: 114 total cpu time spent up to now is 50.6 secs Computing kpt #: 115 total cpu time spent up to now is 51.1 secs Computing kpt #: 116 total cpu time spent up to now is 51.5 secs Computing kpt #: 117 total cpu time spent up to now is 51.9 secs Computing kpt #: 118 total cpu time spent up to now is 52.3 secs Computing kpt #: 119 total cpu time spent up to now is 52.7 secs Computing kpt #: 120 total cpu time spent up to now is 53.1 secs Computing kpt #: 121 total cpu time spent up to now is 53.5 secs Computing kpt #: 122 total cpu time spent up to now is 53.9 secs Computing kpt #: 123 total cpu time spent up to now is 54.3 secs Computing kpt #: 124 total cpu time spent up to now is 54.7 secs Computing kpt #: 125 total cpu time spent up to now is 55.1 secs Computing kpt #: 126 total cpu time spent up to now is 55.6 secs Computing kpt #: 127 total cpu time spent up to now is 56.0 secs Computing kpt #: 128 total cpu time spent up to now is 56.5 secs Computing kpt #: 129 total cpu time spent up to now is 56.9 secs Computing kpt #: 130 total cpu time spent up to now is 57.4 secs Computing kpt #: 131 total cpu time spent up to now is 57.9 secs Computing kpt #: 132 total cpu time spent up to now is 58.4 secs Computing kpt #: 133 total cpu time spent up to now is 58.8 secs Computing kpt #: 134 total cpu time spent up to now is 59.2 secs Computing kpt #: 135 total cpu time spent up to now is 59.7 secs Computing kpt #: 136 total cpu time spent up to now is 60.1 secs Computing kpt #: 137 total cpu time spent up to now is 60.5 secs Computing kpt #: 138 total cpu time spent up to now is 61.0 secs Computing kpt #: 139 total cpu time spent up to now is 61.5 secs Computing kpt #: 140 total cpu time spent up to now is 61.9 secs Computing kpt #: 141 total cpu time spent up to now is 62.4 secs Computing kpt #: 142 total cpu time spent up to now is 62.9 secs Computing kpt #: 143 total cpu time spent up to now is 63.3 secs Computing kpt #: 144 total cpu time spent up to now is 63.8 secs Computing kpt #: 145 total cpu time spent up to now is 64.2 secs Computing kpt #: 146 total cpu time spent up to now is 64.7 secs Computing kpt #: 147 total cpu time spent up to now is 65.1 secs Computing kpt #: 148 total cpu time spent up to now is 65.6 secs Computing kpt #: 149 total cpu time spent up to now is 66.1 secs Computing kpt #: 150 total cpu time spent up to now is 66.5 secs Computing kpt #: 151 total cpu time spent up to now is 66.9 secs Computing kpt #: 152 total cpu time spent up to now is 67.4 secs Computing kpt #: 153 total cpu time spent up to now is 67.8 secs Computing kpt #: 154 total cpu time spent up to now is 68.3 secs Computing kpt #: 155 total cpu time spent up to now is 68.7 secs Computing kpt #: 156 total cpu time spent up to now is 69.2 secs Computing kpt #: 157 total cpu time spent up to now is 69.6 secs Computing kpt #: 158 total cpu time spent up to now is 70.0 secs Computing kpt #: 159 total cpu time spent up to now is 70.5 secs Computing kpt #: 160 total cpu time spent up to now is 70.9 secs Computing kpt #: 161 total cpu time spent up to now is 71.4 secs Computing kpt #: 162 total cpu time spent up to now is 71.8 secs Computing kpt #: 163 total cpu time spent up to now is 72.2 secs Computing kpt #: 164 total cpu time spent up to now is 72.7 secs Computing kpt #: 165 total cpu time spent up to now is 73.1 secs Computing kpt #: 166 total cpu time spent up to now is 73.5 secs Computing kpt #: 167 total cpu time spent up to now is 74.0 secs Computing kpt #: 168 total cpu time spent up to now is 74.4 secs Computing kpt #: 169 total cpu time spent up to now is 74.9 secs Computing kpt #: 170 total cpu time spent up to now is 75.3 secs Computing kpt #: 171 total cpu time spent up to now is 75.8 secs Computing kpt #: 172 total cpu time spent up to now is 76.2 secs Computing kpt #: 173 total cpu time spent up to now is 76.7 secs Computing kpt #: 174 total cpu time spent up to now is 77.2 secs Computing kpt #: 175 total cpu time spent up to now is 77.6 secs Computing kpt #: 176 total cpu time spent up to now is 78.1 secs Computing kpt #: 177 total cpu time spent up to now is 78.5 secs Computing kpt #: 178 total cpu time spent up to now is 79.0 secs Computing kpt #: 179 total cpu time spent up to now is 79.5 secs Computing kpt #: 180 total cpu time spent up to now is 80.0 secs Computing kpt #: 181 total cpu time spent up to now is 80.4 secs Computing kpt #: 182 total cpu time spent up to now is 80.9 secs Computing kpt #: 183 total cpu time spent up to now is 81.3 secs Computing kpt #: 184 total cpu time spent up to now is 81.8 secs Computing kpt #: 185 total cpu time spent up to now is 82.2 secs Computing kpt #: 186 total cpu time spent up to now is 82.6 secs Computing kpt #: 187 total cpu time spent up to now is 83.1 secs Computing kpt #: 188 total cpu time spent up to now is 83.5 secs Computing kpt #: 189 total cpu time spent up to now is 83.9 secs Computing kpt #: 190 total cpu time spent up to now is 84.8 secs Computing kpt #: 191 total cpu time spent up to now is 85.2 secs Computing kpt #: 192 total cpu time spent up to now is 85.6 secs Computing kpt #: 193 total cpu time spent up to now is 86.1 secs Computing kpt #: 194 total cpu time spent up to now is 86.6 secs Computing kpt #: 195 total cpu time spent up to now is 87.0 secs Computing kpt #: 196 total cpu time spent up to now is 87.5 secs Computing kpt #: 197 total cpu time spent up to now is 87.9 secs Computing kpt #: 198 total cpu time spent up to now is 88.4 secs Computing kpt #: 199 total cpu time spent up to now is 88.9 secs Computing kpt #: 200 total cpu time spent up to now is 89.3 secs Computing kpt #: 201 total cpu time spent up to now is 89.8 secs Computing kpt #: 202 total cpu time spent up to now is 90.2 secs Computing kpt #: 203 total cpu time spent up to now is 90.7 secs Computing kpt #: 204 total cpu time spent up to now is 91.1 secs Computing kpt #: 205 total cpu time spent up to now is 91.6 secs Computing kpt #: 206 total cpu time spent up to now is 92.0 secs Computing kpt #: 207 total cpu time spent up to now is 92.5 secs Computing kpt #: 208 total cpu time spent up to now is 93.0 secs Computing kpt #: 209 total cpu time spent up to now is 93.4 secs Computing kpt #: 210 total cpu time spent up to now is 93.9 secs Computing kpt #: 211 total cpu time spent up to now is 94.3 secs Computing kpt #: 212 total cpu time spent up to now is 94.7 secs Computing kpt #: 213 total cpu time spent up to now is 95.1 secs Computing kpt #: 214 total cpu time spent up to now is 95.5 secs Computing kpt #: 215 total cpu time spent up to now is 95.9 secs Computing kpt #: 216 total cpu time spent up to now is 96.3 secs Computing kpt #: 217 total cpu time spent up to now is 96.7 secs Computing kpt #: 218 total cpu time spent up to now is 97.1 secs Computing kpt #: 219 total cpu time spent up to now is 97.5 secs Computing kpt #: 220 total cpu time spent up to now is 98.0 secs Computing kpt #: 221 total cpu time spent up to now is 98.4 secs Computing kpt #: 222 total cpu time spent up to now is 98.8 secs Computing kpt #: 223 total cpu time spent up to now is 99.2 secs Computing kpt #: 224 total cpu time spent up to now is 99.6 secs Computing kpt #: 225 total cpu time spent up to now is 100.0 secs Computing kpt #: 226 total cpu time spent up to now is 100.4 secs Computing kpt #: 227 total cpu time spent up to now is 100.8 secs Computing kpt #: 228 total cpu time spent up to now is 101.2 secs Computing kpt #: 229 total cpu time spent up to now is 101.5 secs Computing kpt #: 230 total cpu time spent up to now is 101.9 secs Computing kpt #: 231 total cpu time spent up to now is 102.3 secs Computing kpt #: 232 total cpu time spent up to now is 102.7 secs Computing kpt #: 233 total cpu time spent up to now is 103.1 secs Computing kpt #: 234 total cpu time spent up to now is 103.5 secs Computing kpt #: 235 total cpu time spent up to now is 103.9 secs Computing kpt #: 236 total cpu time spent up to now is 104.3 secs Computing kpt #: 237 total cpu time spent up to now is 104.7 secs Computing kpt #: 238 total cpu time spent up to now is 105.1 secs Computing kpt #: 239 total cpu time spent up to now is 105.4 secs Computing kpt #: 240 total cpu time spent up to now is 105.8 secs Computing kpt #: 241 total cpu time spent up to now is 106.2 secs Computing kpt #: 242 total cpu time spent up to now is 106.6 secs Computing kpt #: 243 total cpu time spent up to now is 106.9 secs Computing kpt #: 244 total cpu time spent up to now is 107.3 secs Computing kpt #: 245 total cpu time spent up to now is 107.7 secs Computing kpt #: 246 total cpu time spent up to now is 108.1 secs Computing kpt #: 247 total cpu time spent up to now is 108.4 secs Computing kpt #: 248 total cpu time spent up to now is 108.8 secs Computing kpt #: 249 total cpu time spent up to now is 109.2 secs Computing kpt #: 250 total cpu time spent up to now is 109.6 secs Computing kpt #: 251 total cpu time spent up to now is 109.9 secs Computing kpt #: 252 total cpu time spent up to now is 110.3 secs Computing kpt #: 253 total cpu time spent up to now is 110.7 secs Computing kpt #: 254 total cpu time spent up to now is 111.1 secs Computing kpt #: 255 total cpu time spent up to now is 111.5 secs Computing kpt #: 256 total cpu time spent up to now is 111.9 secs Computing kpt #: 257 total cpu time spent up to now is 112.3 secs Computing kpt #: 258 total cpu time spent up to now is 112.7 secs Computing kpt #: 259 total cpu time spent up to now is 113.1 secs Computing kpt #: 260 total cpu time spent up to now is 113.5 secs Computing kpt #: 261 total cpu time spent up to now is 113.9 secs Computing kpt #: 262 total cpu time spent up to now is 114.3 secs Computing kpt #: 263 total cpu time spent up to now is 114.7 secs Computing kpt #: 264 total cpu time spent up to now is 115.1 secs Computing kpt #: 265 total cpu time spent up to now is 115.5 secs Computing kpt #: 266 total cpu time spent up to now is 116.0 secs Computing kpt #: 267 total cpu time spent up to now is 116.4 secs Computing kpt #: 268 total cpu time spent up to now is 116.9 secs Computing kpt #: 269 total cpu time spent up to now is 117.3 secs Computing kpt #: 270 total cpu time spent up to now is 117.7 secs Computing kpt #: 271 total cpu time spent up to now is 118.1 secs Computing kpt #: 272 total cpu time spent up to now is 118.6 secs Computing kpt #: 273 total cpu time spent up to now is 119.0 secs Computing kpt #: 274 total cpu time spent up to now is 119.8 secs Computing kpt #: 275 total cpu time spent up to now is 120.2 secs Computing kpt #: 276 total cpu time spent up to now is 120.7 secs Computing kpt #: 277 total cpu time spent up to now is 121.1 secs Computing kpt #: 278 total cpu time spent up to now is 121.6 secs Computing kpt #: 279 total cpu time spent up to now is 122.0 secs Computing kpt #: 280 total cpu time spent up to now is 122.4 secs Computing kpt #: 281 total cpu time spent up to now is 122.9 secs Computing kpt #: 282 total cpu time spent up to now is 123.3 secs Computing kpt #: 283 total cpu time spent up to now is 123.7 secs Computing kpt #: 284 total cpu time spent up to now is 124.2 secs Computing kpt #: 285 total cpu time spent up to now is 124.6 secs Computing kpt #: 286 total cpu time spent up to now is 125.1 secs Computing kpt #: 287 total cpu time spent up to now is 125.5 secs Computing kpt #: 288 total cpu time spent up to now is 126.0 secs Computing kpt #: 289 total cpu time spent up to now is 126.4 secs Computing kpt #: 290 total cpu time spent up to now is 126.9 secs Computing kpt #: 291 total cpu time spent up to now is 127.3 secs Computing kpt #: 292 total cpu time spent up to now is 127.8 secs Computing kpt #: 293 total cpu time spent up to now is 128.2 secs Computing kpt #: 294 total cpu time spent up to now is 128.7 secs Computing kpt #: 295 total cpu time spent up to now is 129.1 secs Computing kpt #: 296 total cpu time spent up to now is 129.6 secs Computing kpt #: 297 total cpu time spent up to now is 130.0 secs Computing kpt #: 298 total cpu time spent up to now is 130.5 secs Computing kpt #: 299 total cpu time spent up to now is 130.9 secs Computing kpt #: 300 total cpu time spent up to now is 131.3 secs Computing kpt #: 301 total cpu time spent up to now is 131.7 secs Computing kpt #: 302 total cpu time spent up to now is 132.1 secs Computing kpt #: 303 total cpu time spent up to now is 132.5 secs Computing kpt #: 304 total cpu time spent up to now is 132.9 secs Computing kpt #: 305 total cpu time spent up to now is 133.3 secs Computing kpt #: 306 total cpu time spent up to now is 133.7 secs Computing kpt #: 307 total cpu time spent up to now is 134.1 secs Computing kpt #: 308 total cpu time spent up to now is 134.5 secs Computing kpt #: 309 total cpu time spent up to now is 134.9 secs Computing kpt #: 310 total cpu time spent up to now is 135.3 secs Computing kpt #: 311 total cpu time spent up to now is 135.7 secs Computing kpt #: 312 total cpu time spent up to now is 136.1 secs Computing kpt #: 313 total cpu time spent up to now is 136.5 secs Computing kpt #: 314 total cpu time spent up to now is 136.9 secs Computing kpt #: 315 total cpu time spent up to now is 137.3 secs Computing kpt #: 316 total cpu time spent up to now is 137.7 secs Computing kpt #: 317 total cpu time spent up to now is 138.0 secs Computing kpt #: 318 total cpu time spent up to now is 138.4 secs Computing kpt #: 319 total cpu time spent up to now is 138.8 secs Computing kpt #: 320 total cpu time spent up to now is 139.2 secs Computing kpt #: 321 total cpu time spent up to now is 139.6 secs Computing kpt #: 322 total cpu time spent up to now is 140.0 secs Computing kpt #: 323 total cpu time spent up to now is 140.4 secs Computing kpt #: 324 total cpu time spent up to now is 140.8 secs Computing kpt #: 325 total cpu time spent up to now is 141.2 secs Computing kpt #: 326 total cpu time spent up to now is 141.6 secs Computing kpt #: 327 total cpu time spent up to now is 142.0 secs Computing kpt #: 328 total cpu time spent up to now is 142.3 secs Computing kpt #: 329 total cpu time spent up to now is 142.7 secs Computing kpt #: 330 total cpu time spent up to now is 143.1 secs Computing kpt #: 331 total cpu time spent up to now is 143.5 secs Computing kpt #: 332 total cpu time spent up to now is 143.9 secs ethr = 2.17E-08, avg # of iterations = 16.7 total cpu time spent up to now is 143.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -36.6563 -36.6563 -15.6487 -15.6487 -15.1442 -15.1442 -15.1442 -15.1442 -1.9193 -1.9193 -1.9193 -1.9193 -1.0893 -1.0893 -1.0725 -1.0725 -1.0725 -1.0725 3.6286 3.6286 9.0252 9.0252 9.0252 9.0252 9.1144 9.1144 9.1538 9.1538 9.1538 9.1538 9.8927 9.8927 9.8927 9.8927 10.0373 10.0373 10.2950 10.2950 10.2950 10.2950 12.6787 12.6787 12.7051 12.7051 12.7051 12.7051 14.8202 14.8202 14.8202 14.8202 15.8542 15.8542 16.2378 16.2378 16.3020 16.3020 k = 0.0100-0.0058 0.0082 ( 2697 PWs) bands (ev): -36.6563 -36.6563 -15.6488 -15.6488 -15.1443 -15.1443 -15.1442 -15.1442 -1.9195 -1.9195 -1.9194 -1.9194 -1.0895 -1.0895 -1.0727 -1.0727 -1.0726 -1.0726 3.6303 3.6303 9.0239 9.0239 9.0255 9.0255 9.1131 9.1131 9.1540 9.1540 9.1560 9.1560 9.8926 9.8926 9.8927 9.8927 10.0372 10.0372 10.2938 10.2938 10.2950 10.2950 12.6765 12.6765 12.7026 12.7026 12.7026 12.7026 14.8114 14.8114 14.8202 14.8202 15.8564 15.8564 16.2426 16.2426 16.2965 16.2965 k = 0.0200-0.0115 0.0163 ( 2701 PWs) bands (ev): -36.6563 -36.6563 -15.6488 -15.6488 -15.1443 -15.1443 -15.1442 -15.1442 -1.9195 -1.9195 -1.9194 -1.9194 -1.0895 -1.0895 -1.0726 -1.0726 -1.0726 -1.0726 3.6351 3.6351 9.0201 9.0201 9.0266 9.0266 9.1104 9.1104 9.1545 9.1545 9.1617 9.1617 9.8923 9.8923 9.8924 9.8924 10.0368 10.0368 10.2905 10.2905 10.2949 10.2949 12.6699 12.6699 12.6953 12.6953 12.6953 12.6953 14.7852 14.7852 14.8199 14.8199 15.8629 15.8629 16.2572 16.2572 16.2817 16.2817 k = 0.0300-0.0173 0.0245 ( 2709 PWs) bands (ev): -36.6563 -36.6563 -15.6489 -15.6489 -15.1444 -15.1444 -15.1443 -15.1443 -1.9195 -1.9195 -1.9193 -1.9193 -1.0894 -1.0894 -1.0726 -1.0726 -1.0724 -1.0724 3.6431 3.6431 9.0136 9.0136 9.0284 9.0284 9.1079 9.1079 9.1553 9.1553 9.1694 9.1694 9.8918 9.8918 9.8920 9.8920 10.0363 10.0363 10.2850 10.2850 10.2946 10.2946 12.6591 12.6591 12.6833 12.6833 12.6835 12.6835 14.7423 14.7423 14.8195 14.8195 15.8731 15.8731 16.2618 16.2618 16.2812 16.2812 k = 0.0400-0.0231 0.0327 ( 2709 PWs) bands (ev): -36.6563 -36.6563 -15.6490 -15.6490 -15.1445 -15.1445 -15.1444 -15.1444 -1.9195 -1.9195 -1.9190 -1.9190 -1.0892 -1.0892 -1.0725 -1.0725 -1.0721 -1.0721 3.6544 3.6544 9.0046 9.0046 9.0311 9.0311 9.1065 9.1065 9.1565 9.1565 9.1783 9.1783 9.8911 9.8911 9.8914 9.8914 10.0355 10.0355 10.2774 10.2774 10.2945 10.2945 12.6441 12.6441 12.6668 12.6668 12.6673 12.6673 14.6842 14.6842 14.8190 14.8190 15.8858 15.8858 16.2418 16.2418 16.3143 16.3143 k = 0.0500-0.0289 0.0408 ( 2709 PWs) bands (ev): -36.6563 -36.6563 -15.6491 -15.6491 -15.1447 -15.1447 -15.1444 -15.1444 -1.9194 -1.9194 -1.9187 -1.9187 -1.0890 -1.0890 -1.0723 -1.0723 -1.0718 -1.0718 3.6689 3.6689 8.9930 8.9930 9.0344 9.0344 9.1065 9.1065 9.1580 9.1580 9.1877 9.1877 9.8901 9.8901 9.8906 9.8906 10.0344 10.0344 10.2678 10.2678 10.2943 10.2943 12.6253 12.6253 12.6460 12.6460 12.6471 12.6471 14.6123 14.6123 14.8183 14.8183 15.8998 15.8998 16.2256 16.2256 16.3559 16.3559 k = 0.0600-0.0346 0.0490 ( 2701 PWs) bands (ev): -36.6563 -36.6563 -15.6491 -15.6491 -15.1448 -15.1448 -15.1445 -15.1445 -1.9194 -1.9194 -1.9181 -1.9181 -1.0888 -1.0888 -1.0721 -1.0721 -1.0712 -1.0712 3.6866 3.6866 8.9791 8.9791 9.0385 9.0385 9.1081 9.1081 9.1599 9.1599 9.1975 9.1975 9.8891 9.8891 9.8895 9.8895 10.0331 10.0331 10.2562 10.2562 10.2941 10.2941 12.6030 12.6030 12.6214 12.6214 12.6233 12.6233 14.5285 14.5285 14.8176 14.8176 15.9137 15.9137 16.2162 16.2162 16.3774 16.3774 k = 0.0700-0.0404 0.0572 ( 2701 PWs) bands (ev): -36.6563 -36.6563 -15.6493 -15.6493 -15.1450 -15.1450 -15.1445 -15.1445 -1.9193 -1.9193 -1.9177 -1.9177 -1.0885 -1.0885 -1.0719 -1.0719 -1.0707 -1.0707 3.7074 3.7074 8.9632 8.9632 9.0434 9.0434 9.1111 9.1111 9.1620 9.1620 9.2074 9.2074 9.8877 9.8877 9.8882 9.8882 10.0315 10.0315 10.2427 10.2427 10.2938 10.2938 12.5775 12.5775 12.5932 12.5932 12.5964 12.5964 14.4349 14.4349 14.8166 14.8166 15.9263 15.9263 16.2148 16.2148 16.3998 16.3998 k = 0.0800-0.0462 0.0653 ( 2701 PWs) bands (ev): -36.6562 -36.6562 -15.6494 -15.6494 -15.1452 -15.1452 -15.1446 -15.1446 -1.9192 -1.9192 -1.9171 -1.9171 -1.0882 -1.0882 -1.0716 -1.0716 -1.0702 -1.0702 3.7314 3.7314 8.9455 8.9455 9.0489 9.0489 9.1153 9.1153 9.1645 9.1645 9.2174 9.2174 9.8862 9.8862 9.8866 9.8866 10.0295 10.0295 10.2275 10.2275 10.2935 10.2935 12.5494 12.5494 12.5618 12.5618 12.5667 12.5667 14.3332 14.3332 14.8156 14.8156 15.9373 15.9373 16.2210 16.2210 16.4226 16.4226 k = 0.0900-0.0520 0.0735 ( 2701 PWs) bands (ev): -36.6562 -36.6562 -15.6496 -15.6496 -15.1455 -15.1455 -15.1447 -15.1447 -1.9191 -1.9191 -1.9166 -1.9166 -1.0880 -1.0880 -1.0712 -1.0712 -1.0696 -1.0696 3.7586 3.7586 8.9261 8.9261 9.0552 9.0552 9.1206 9.1206 9.1673 9.1673 9.2274 9.2274 9.8845 9.8845 9.8846 9.8846 10.0270 10.0270 10.2107 10.2107 10.2932 10.2932 12.5189 12.5189 12.5277 12.5277 12.5346 12.5346 14.2253 14.2253 14.8143 14.8143 15.9468 15.9468 16.2333 16.2333 16.4443 16.4443 k = 0.1000-0.0577 0.0816 ( 2701 PWs) bands (ev): -36.6562 -36.6562 -15.6497 -15.6497 -15.1458 -15.1458 -15.1448 -15.1448 -1.9190 -1.9190 -1.9160 -1.9160 -1.0877 -1.0877 -1.0708 -1.0708 -1.0690 -1.0690 3.7889 3.7889 8.9052 8.9052 9.0621 9.0621 9.1270 9.1270 9.1704 9.1704 9.2375 9.2375 9.8822 9.8822 9.8825 9.8825 10.0240 10.0240 10.1927 10.1927 10.2928 10.2928 12.4867 12.4867 12.4911 12.4911 12.5006 12.5006 14.1126 14.1126 14.8130 14.8130 15.9554 15.9554 16.2494 16.2494 16.4638 16.4638 k = 0.1100-0.0635 0.0898 ( 2701 PWs) bands (ev): -36.6562 -36.6562 -15.6499 -15.6499 -15.1461 -15.1461 -15.1449 -15.1449 -1.9189 -1.9189 -1.9153 -1.9153 -1.0874 -1.0874 -1.0703 -1.0703 -1.0684 -1.0684 3.8223 3.8223 8.8829 8.8829 9.0697 9.0697 9.1342 9.1342 9.1738 9.1738 9.2476 9.2476 9.8792 9.8792 9.8804 9.8804 10.0203 10.0203 10.1739 10.1739 10.2924 10.2924 12.4527 12.4527 12.4531 12.4531 12.4650 12.4650 13.9966 13.9966 14.8116 14.8116 15.9640 15.9640 16.2668 16.2668 16.4794 16.4794 k = 0.1200-0.0693 0.0980 ( 2693 PWs) bands (ev): -36.6562 -36.6562 -15.6501 -15.6501 -15.1464 -15.1464 -15.1450 -15.1450 -1.9186 -1.9186 -1.9145 -1.9145 -1.0871 -1.0871 -1.0696 -1.0696 -1.0676 -1.0676 3.8588 3.8588 8.8592 8.8592 9.0779 9.0779 9.1422 9.1422 9.1775 9.1775 9.2578 9.2578 9.8755 9.8755 9.8782 9.8782 10.0157 10.0157 10.1546 10.1546 10.2920 10.2920 12.4126 12.4126 12.4186 12.4186 12.4281 12.4281 13.8781 13.8781 14.8100 14.8100 15.9731 15.9731 16.2829 16.2829 16.4899 16.4899 k = 0.1300-0.0751 0.1061 ( 2693 PWs) bands (ev): -36.6561 -36.6561 -15.6503 -15.6503 -15.1467 -15.1467 -15.1452 -15.1452 -1.9185 -1.9185 -1.9138 -1.9138 -1.0868 -1.0868 -1.0690 -1.0690 -1.0669 -1.0669 3.8984 3.8984 8.8343 8.8343 9.0868 9.0868 9.1511 9.1511 9.1815 9.1815 9.2679 9.2679 9.8709 9.8709 9.8757 9.8757 10.0097 10.0097 10.1355 10.1355 10.2916 10.2916 12.3712 12.3712 12.3831 12.3831 12.3907 12.3907 13.7581 13.7581 14.8083 14.8083 15.9831 15.9831 16.2956 16.2956 16.4939 16.4939 k = 0.1400-0.0808 0.1143 ( 2689 PWs) bands (ev): -36.6561 -36.6561 -15.6505 -15.6505 -15.1471 -15.1471 -15.1453 -15.1453 -1.9184 -1.9184 -1.9129 -1.9129 -1.0865 -1.0865 -1.0682 -1.0682 -1.0661 -1.0661 3.9409 3.9409 8.8081 8.8081 9.0963 9.0963 9.1607 9.1607 9.1856 9.1856 9.2782 9.2782 9.8649 9.8649 9.8731 9.8731 10.0022 10.0022 10.1175 10.1175 10.2911 10.2911 12.3290 12.3290 12.3463 12.3463 12.3538 12.3538 13.6372 13.6372 14.8065 14.8065 15.9943 15.9943 16.3030 16.3030 16.4905 16.4905 k = 0.1500-0.0866 0.1225 ( 2681 PWs) bands (ev): -36.6561 -36.6561 -15.6507 -15.6507 -15.1474 -15.1474 -15.1454 -15.1454 -1.9182 -1.9182 -1.9120 -1.9120 -1.0863 -1.0863 -1.0675 -1.0675 -1.0652 -1.0652 3.9864 3.9864 8.7807 8.7807 9.1063 9.1063 9.1710 9.1710 9.1901 9.1901 9.2883 9.2883 9.8574 9.8574 9.8703 9.8703 9.9928 9.9928 10.1014 10.1014 10.2906 10.2906 12.2860 12.2860 12.3077 12.3077 12.3183 12.3183 13.5160 13.5160 14.8046 14.8046 16.0068 16.0068 16.3037 16.3037 16.4789 16.4789 k = 0.1600-0.0924 0.1306 ( 2681 PWs) bands (ev): -36.6561 -36.6561 -15.6510 -15.6510 -15.1478 -15.1478 -15.1456 -15.1456 -1.9181 -1.9181 -1.9112 -1.9112 -1.0862 -1.0862 -1.0666 -1.0666 -1.0645 -1.0645 4.0349 4.0349 8.7522 8.7522 9.1169 9.1169 9.1819 9.1819 9.1947 9.1947 9.2984 9.2984 9.8476 9.8476 9.8673 9.8673 9.9816 9.9816 10.0876 10.0876 10.2902 10.2902 12.2427 12.2427 12.2681 12.2681 12.2840 12.2840 13.3949 13.3949 14.8026 14.8026 16.0206 16.0206 16.2968 16.2968 16.4590 16.4590 k = 0.1700-0.0981 0.1388 ( 2686 PWs) bands (ev): -36.6560 -36.6560 -15.6513 -15.6513 -15.1482 -15.1482 -15.1458 -15.1458 -1.9179 -1.9179 -1.9105 -1.9105 -1.0860 -1.0860 -1.0657 -1.0657 -1.0640 -1.0640 4.0863 4.0863 8.7225 8.7225 9.1279 9.1279 9.1935 9.1935 9.1996 9.1996 9.3085 9.3085 9.8348 9.8348 9.8641 9.8641 9.9691 9.9691 10.0765 10.0765 10.2897 10.2897 12.1993 12.1993 12.2282 12.2282 12.2508 12.2508 13.2740 13.2740 14.8005 14.8005 16.0356 16.0356 16.2818 16.2818 16.4308 16.4308 k = 0.1800-0.1039 0.1470 ( 2678 PWs) bands (ev): -36.6560 -36.6560 -15.6515 -15.6515 -15.1486 -15.1486 -15.1459 -15.1459 -1.9177 -1.9177 -1.9096 -1.9096 -1.0859 -1.0859 -1.0646 -1.0646 -1.0632 -1.0632 4.1405 4.1405 8.6918 8.6918 9.1395 9.1395 9.2048 9.2048 9.2057 9.2057 9.3185 9.3185 9.8188 9.8188 9.8609 9.8609 9.9564 9.9564 10.0679 10.0679 10.2892 10.2892 12.1560 12.1560 12.1882 12.1882 12.2186 12.2186 13.1540 13.1540 14.7983 14.7983 16.0519 16.0519 16.2587 16.2587 16.3948 16.3948 k = 0.1900-0.1097 0.1551 ( 2678 PWs) bands (ev): -36.6560 -36.6560 -15.6518 -15.6518 -15.1490 -15.1490 -15.1461 -15.1461 -1.9176 -1.9176 -1.9088 -1.9088 -1.0858 -1.0858 -1.0636 -1.0636 -1.0626 -1.0626 4.1974 4.1974 8.6602 8.6602 9.1513 9.1513 9.2101 9.2101 9.2184 9.2184 9.3283 9.3283 9.7991 9.7991 9.8574 9.8574 9.9445 9.9445 10.0613 10.0613 10.2887 10.2887 12.1129 12.1129 12.1485 12.1485 12.1875 12.1875 13.0346 13.0346 14.7960 14.7960 16.0691 16.0691 16.2280 16.2280 16.3519 16.3519 k = 0.2000-0.1155 0.1633 ( 2694 PWs) bands (ev): -36.6559 -36.6559 -15.6521 -15.6521 -15.1495 -15.1495 -15.1463 -15.1463 -1.9175 -1.9175 -1.9083 -1.9083 -1.0859 -1.0859 -1.0626 -1.0626 -1.0622 -1.0622 4.2571 4.2571 8.6275 8.6275 9.1634 9.1634 9.2156 9.2156 9.2316 9.2316 9.3380 9.3380 9.7758 9.7758 9.8538 9.8538 9.9337 9.9337 10.0561 10.0561 10.2881 10.2881 12.0702 12.0702 12.1091 12.1091 12.1575 12.1575 12.9163 12.9163 14.7936 14.7936 16.0871 16.0871 16.1904 16.1904 16.3027 16.3027 k = 0.2100-0.1212 0.1715 ( 2682 PWs) bands (ev): -36.6559 -36.6559 -15.6523 -15.6523 -15.1499 -15.1499 -15.1464 -15.1464 -1.9173 -1.9173 -1.9074 -1.9074 -1.0857 -1.0857 -1.0616 -1.0616 -1.0613 -1.0613 4.3195 4.3195 8.5940 8.5940 9.1758 9.1758 9.2215 9.2215 9.2454 9.2454 9.3475 9.3475 9.7495 9.7495 9.8501 9.8501 9.9244 9.9244 10.0520 10.0520 10.2876 10.2876 12.0284 12.0284 12.0705 12.0705 12.1288 12.1288 12.7990 12.7990 14.7912 14.7912 16.1050 16.1050 16.1476 16.1476 16.2485 16.2485 k = 0.2200-0.1270 0.1796 ( 2678 PWs) bands (ev): -36.6559 -36.6559 -15.6526 -15.6526 -15.1503 -15.1503 -15.1466 -15.1466 -1.9171 -1.9171 -1.9066 -1.9066 -1.0857 -1.0857 -1.0609 -1.0609 -1.0601 -1.0601 4.3844 4.3844 8.5597 8.5597 9.1882 9.1882 9.2275 9.2275 9.2595 9.2595 9.3568 9.3568 9.7209 9.7209 9.8463 9.8463 9.9162 9.9162 10.0486 10.0486 10.2872 10.2872 11.9871 11.9871 12.0326 12.0326 12.1014 12.1014 12.6830 12.6830 14.7888 14.7888 16.0939 16.0939 16.1290 16.1290 16.1901 16.1901 k = 0.2300-0.1328 0.1878 ( 2678 PWs) bands (ev): -36.6558 -36.6558 -15.6528 -15.6528 -15.1508 -15.1508 -15.1468 -15.1468 -1.9170 -1.9170 -1.9058 -1.9058 -1.0857 -1.0857 -1.0605 -1.0605 -1.0589 -1.0589 4.4519 4.4519 8.5245 8.5245 9.2004 9.2004 9.2339 9.2339 9.2740 9.2740 9.3658 9.3658 9.6908 9.6908 9.8424 9.8424 9.9089 9.9089 10.0459 10.0459 10.2867 10.2867 11.9468 11.9468 11.9955 11.9955 12.0752 12.0752 12.5682 12.5682 14.7862 14.7862 16.0422 16.0422 16.1284 16.1284 16.1470 16.1470 k = 0.2400-0.1386 0.1960 ( 2678 PWs) bands (ev): -36.6558 -36.6558 -15.6531 -15.6531 -15.1512 -15.1512 -15.1470 -15.1470 -1.9168 -1.9168 -1.9052 -1.9052 -1.0857 -1.0857 -1.0601 -1.0601 -1.0577 -1.0577 4.5218 4.5218 8.4887 8.4887 9.2121 9.2121 9.2407 9.2407 9.2888 9.2888 9.3744 9.3744 9.6597 9.6597 9.8383 9.8383 9.9022 9.9022 10.0435 10.0435 10.2862 10.2862 11.9073 11.9073 11.9594 11.9594 12.0503 12.0503 12.4548 12.4548 14.7837 14.7837 15.9858 15.9858 16.0643 16.0643 16.1659 16.1659 k = 0.2500-0.1443 0.2041 ( 2682 PWs) bands (ev): -36.6557 -36.6557 -15.6534 -15.6534 -15.1516 -15.1516 -15.1472 -15.1472 -1.9167 -1.9167 -1.9046 -1.9046 -1.0858 -1.0858 -1.0598 -1.0598 -1.0565 -1.0565 4.5940 4.5940 8.4521 8.4521 9.2232 9.2232 9.2480 9.2480 9.3039 9.3039 9.3826 9.3826 9.6284 9.6284 9.8341 9.8341 9.8958 9.8958 10.0416 10.0416 10.2858 10.2858 11.8689 11.8689 11.9245 11.9245 12.0267 12.0267 12.3428 12.3428 14.7811 14.7811 15.9266 15.9266 15.9986 15.9986 16.1831 16.1831 k = 0.2600-0.1501 0.2123 ( 2682 PWs) bands (ev): -36.6557 -36.6557 -15.6537 -15.6537 -15.1521 -15.1521 -15.1474 -15.1474 -1.9166 -1.9166 -1.9040 -1.9040 -1.0858 -1.0858 -1.0595 -1.0595 -1.0552 -1.0552 4.6684 4.6684 8.4149 8.4149 9.2331 9.2331 9.2560 9.2560 9.3193 9.3193 9.3904 9.3904 9.5975 9.5975 9.8298 9.8298 9.8897 9.8897 10.0400 10.0400 10.2853 10.2853 11.8316 11.8316 11.8907 11.8907 12.0043 12.0043 12.2324 12.2324 14.7785 14.7785 15.8657 15.8657 15.9318 15.9318 16.1959 16.1959 k = 0.2700-0.1559 0.2205 ( 2662 PWs) bands (ev): -36.6557 -36.6557 -15.6539 -15.6539 -15.1524 -15.1524 -15.1475 -15.1475 -1.9162 -1.9162 -1.9032 -1.9032 -1.0857 -1.0857 -1.0591 -1.0591 -1.0536 -1.0536 4.7449 4.7449 8.3771 8.3771 9.2420 9.2420 9.2643 9.2643 9.3349 9.3349 9.3978 9.3978 9.5676 9.5676 9.8255 9.8255 9.8837 9.8837 10.0386 10.0386 10.2850 10.2850 11.7954 11.7954 11.8583 11.8583 11.9832 11.9832 12.1240 12.1240 14.7759 14.7759 15.8038 15.8038 15.8645 15.8645 16.1969 16.1969 k = 0.2800-0.1617 0.2286 ( 2662 PWs) bands (ev): -36.6556 -36.6556 -15.6541 -15.6541 -15.1528 -15.1528 -15.1477 -15.1477 -1.9161 -1.9161 -1.9026 -1.9026 -1.0858 -1.0858 -1.0589 -1.0589 -1.0524 -1.0524 4.8234 4.8234 8.3387 8.3387 9.2496 9.2496 9.2721 9.2721 9.3505 9.3505 9.4045 9.4045 9.5396 9.5396 9.8209 9.8209 9.8776 9.8776 10.0374 10.0374 10.2847 10.2847 11.7600 11.7600 11.8271 11.8271 11.9633 11.9633 12.0176 12.0176 14.7733 14.7733 15.7414 15.7414 15.7974 15.7974 16.1705 16.1705 k = 0.2900-0.1674 0.2368 ( 2662 PWs) bands (ev): -36.6556 -36.6556 -15.6544 -15.6544 -15.1532 -15.1532 -15.1478 -15.1478 -1.9160 -1.9160 -1.9021 -1.9021 -1.0859 -1.0859 -1.0588 -1.0588 -1.0511 -1.0511 4.9037 4.9037 8.2998 8.2998 9.2565 9.2565 9.2783 9.2783 9.3662 9.3662 9.4106 9.4106 9.5145 9.5145 9.8163 9.8163 9.8715 9.8715 10.0364 10.0364 10.2843 10.2843 11.7252 11.7252 11.7972 11.7972 11.9139 11.9139 11.9445 11.9445 14.7707 14.7707 15.6791 15.6791 15.7308 15.7308 16.1070 16.1070 k = 0.3000-0.1732 0.2449 ( 2650 PWs) bands (ev): -36.6556 -36.6556 -15.6546 -15.6546 -15.1536 -15.1536 -15.1480 -15.1480 -1.9157 -1.9157 -1.9016 -1.9016 -1.0858 -1.0858 -1.0585 -1.0585 -1.0498 -1.0498 4.9858 4.9858 8.2602 8.2602 9.2629 9.2629 9.2816 9.2816 9.3818 9.3818 9.4160 9.4160 9.4936 9.4936 9.8116 9.8116 9.8653 9.8653 10.0357 10.0357 10.2840 10.2840 11.6898 11.6898 11.7688 11.7688 11.8145 11.8145 11.9270 11.9270 14.7682 14.7682 15.6173 15.6173 15.6652 15.6652 16.0222 16.0222 k = 0.3100-0.1790 0.2531 ( 2658 PWs) bands (ev): -36.6555 -36.6555 -15.6549 -15.6549 -15.1540 -15.1540 -15.1482 -15.1482 -1.9157 -1.9157 -1.9012 -1.9012 -1.0861 -1.0861 -1.0585 -1.0585 -1.0487 -1.0487 5.0693 5.0693 8.2201 8.2201 9.2688 9.2688 9.2805 9.2805 9.3972 9.3972 9.4207 9.4207 9.4781 9.4781 9.8067 9.8067 9.8588 9.8588 10.0350 10.0350 10.2837 10.2837 11.6484 11.6484 11.7248 11.7248 11.7419 11.7419 11.9104 11.9104 14.7656 14.7656 15.5564 15.5564 15.6008 15.6008 15.9315 15.9315 k = 0.3200-0.1848 0.2613 ( 2662 PWs) bands (ev): -36.6555 -36.6555 -15.6551 -15.6551 -15.1543 -15.1543 -15.1484 -15.1484 -1.9156 -1.9156 -1.9009 -1.9009 -1.0862 -1.0862 -1.0586 -1.0586 -1.0475 -1.0475 5.1543 5.1543 8.1794 8.1794 9.2729 9.2729 9.2757 9.2757 9.4124 9.4124 9.4245 9.4245 9.4691 9.4691 9.8017 9.8017 9.8522 9.8522 10.0345 10.0345 10.2835 10.2835 11.5843 11.5843 11.6619 11.6619 11.7163 11.7163 11.8950 11.8950 14.7631 14.7631 15.4969 15.4969 15.5381 15.5381 15.8415 15.8415 k = 0.3300-0.1905 0.2694 ( 2670 PWs) bands (ev): -36.6555 -36.6555 -15.6554 -15.6554 -15.1547 -15.1547 -15.1485 -15.1485 -1.9156 -1.9156 -1.9007 -1.9007 -1.0863 -1.0863 -1.0589 -1.0589 -1.0464 -1.0464 5.2403 5.2403 8.1381 8.1381 9.2621 9.2621 9.2802 9.2802 9.4260 9.4260 9.4288 9.4288 9.4664 9.4664 9.7966 9.7966 9.8454 9.8454 10.0341 10.0341 10.2833 10.2833 11.4994 11.4994 11.6242 11.6242 11.6923 11.6923 11.8805 11.8805 14.7607 14.7607 15.4390 15.4390 15.4773 15.4773 15.7547 15.7547 k = 0.3400-0.1963 0.2776 ( 2670 PWs) bands (ev): -36.6555 -36.6555 -15.6556 -15.6556 -15.1550 -15.1550 -15.1487 -15.1487 -1.9155 -1.9155 -1.9005 -1.9005 -1.0864 -1.0864 -1.0589 -1.0589 -1.0453 -1.0453 5.3272 5.3272 8.0963 8.0963 9.2463 9.2463 9.2852 9.2852 9.4291 9.4291 9.4424 9.4424 9.4694 9.4694 9.7913 9.7913 9.8383 9.8383 10.0337 10.0337 10.2832 10.2832 11.4110 11.4110 11.5949 11.5949 11.6698 11.6698 11.8671 11.8671 14.7583 14.7583 15.3831 15.3831 15.4186 15.4186 15.6723 15.6723 k = 0.3500-0.2021 0.2858 ( 2670 PWs) bands (ev): -36.6554 -36.6554 -15.6558 -15.6558 -15.1553 -15.1553 -15.1489 -15.1489 -1.9155 -1.9155 -1.9001 -1.9001 -1.0866 -1.0866 -1.0590 -1.0590 -1.0443 -1.0443 5.4149 5.4149 8.0538 8.0538 9.2278 9.2278 9.2901 9.2901 9.4301 9.4301 9.4565 9.4565 9.4763 9.4763 9.7860 9.7860 9.8310 9.8310 10.0334 10.0334 10.2832 10.2832 11.3244 11.3244 11.5690 11.5690 11.6487 11.6487 11.8546 11.8546 14.7560 14.7560 15.3294 15.3294 15.3624 15.3624 15.5945 15.5945 k = 0.3600-0.2078 0.2939 ( 2666 PWs) bands (ev): -36.6554 -36.6554 -15.6560 -15.6560 -15.1556 -15.1556 -15.1490 -15.1490 -1.9154 -1.9154 -1.8999 -1.8999 -1.0867 -1.0867 -1.0590 -1.0590 -1.0433 -1.0433 5.5029 5.5029 8.0107 8.0107 9.2079 9.2079 9.2947 9.2947 9.4300 9.4300 9.4702 9.4702 9.4859 9.4859 9.7807 9.7807 9.8235 9.8235 10.0333 10.0333 10.2832 10.2832 11.2411 11.2411 11.5453 11.5453 11.6292 11.6292 11.8431 11.8431 14.7538 14.7538 15.2781 15.2781 15.3088 15.3088 15.5218 15.5218 k = 0.3700-0.2136 0.3021 ( 2666 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1559 -15.1559 -15.1491 -15.1491 -1.9153 -1.9153 -1.8997 -1.8997 -1.0868 -1.0868 -1.0592 -1.0592 -1.0423 -1.0423 5.5909 5.5909 7.9670 7.9670 9.1876 9.1876 9.2991 9.2991 9.4288 9.4288 9.4833 9.4833 9.4973 9.4973 9.7753 9.7753 9.8158 9.8158 10.0332 10.0332 10.2833 10.2833 11.1619 11.1619 11.5236 11.5236 11.6111 11.6111 11.8324 11.8324 14.7517 14.7517 15.2294 15.2294 15.2580 15.2580 15.4543 15.4543 k = 0.3800-0.2194 0.3103 ( 2666 PWs) bands (ev): -36.6553 -36.6553 -15.6564 -15.6564 -15.1561 -15.1561 -15.1493 -15.1493 -1.9153 -1.9153 -1.8995 -1.8995 -1.0869 -1.0869 -1.0594 -1.0594 -1.0414 -1.0414 5.6786 5.6786 7.9226 7.9226 9.1675 9.1675 9.3032 9.3032 9.4266 9.4266 9.4957 9.4957 9.5099 9.5099 9.7699 9.7699 9.8078 9.8078 10.0332 10.0332 10.2834 10.2834 11.0874 11.0874 11.5035 11.5035 11.5945 11.5945 11.8227 11.8227 14.7497 14.7497 15.1836 15.1836 15.2102 15.2102 15.3920 15.3920 k = 0.3900-0.2252 0.3184 ( 2666 PWs) bands (ev): -36.6553 -36.6553 -15.6565 -15.6565 -15.1564 -15.1564 -15.1494 -15.1494 -1.9152 -1.9152 -1.8995 -1.8995 -1.0869 -1.0869 -1.0596 -1.0596 -1.0406 -1.0406 5.7654 5.7654 7.8776 7.8776 9.1481 9.1481 9.3071 9.3071 9.4233 9.4233 9.5072 9.5072 9.5231 9.5231 9.7647 9.7647 9.7996 9.7996 10.0333 10.0333 10.2835 10.2835 11.0179 11.0179 11.4852 11.4852 11.5794 11.5794 11.8139 11.8139 14.7478 14.7478 15.1408 15.1408 15.1656 15.1656 15.3348 15.3348 k = 0.4000-0.2309 0.3266 ( 2666 PWs) bands (ev): -36.6553 -36.6553 -15.6567 -15.6567 -15.1566 -15.1566 -15.1495 -15.1495 -1.9151 -1.9151 -1.8994 -1.8994 -1.0870 -1.0870 -1.0598 -1.0598 -1.0398 -1.0398 5.8510 5.8510 7.8322 7.8322 9.1298 9.1298 9.3106 9.3106 9.4190 9.4190 9.5179 9.5179 9.5367 9.5367 9.7596 9.7596 9.7911 9.7911 10.0334 10.0334 10.2838 10.2838 10.9539 10.9539 11.4685 11.4685 11.5656 11.5656 11.8058 11.8058 14.7461 14.7461 15.1012 15.1012 15.1243 15.1243 15.2829 15.2829 k = 0.4100-0.2367 0.3348 ( 2666 PWs) bands (ev): -36.6553 -36.6553 -15.6568 -15.6568 -15.1568 -15.1568 -15.1496 -15.1496 -1.9151 -1.9151 -1.8993 -1.8993 -1.0870 -1.0870 -1.0600 -1.0600 -1.0391 -1.0391 5.9345 5.9345 7.7865 7.7865 9.1128 9.1128 9.3139 9.3139 9.4138 9.4138 9.5277 9.5277 9.5504 9.5504 9.7548 9.7548 9.7824 9.7824 10.0334 10.0334 10.2841 10.2841 10.8956 10.8956 11.4534 11.4534 11.5533 11.5533 11.7985 11.7985 14.7445 14.7445 15.0649 15.0649 15.0865 15.0865 15.2361 15.2361 k = 0.4200-0.2425 0.3429 ( 2666 PWs) bands (ev): -36.6553 -36.6553 -15.6569 -15.6569 -15.1570 -15.1570 -15.1497 -15.1497 -1.9151 -1.9151 -1.8992 -1.8992 -1.0872 -1.0872 -1.0602 -1.0602 -1.0384 -1.0384 6.0154 6.0154 7.7409 7.7409 9.0973 9.0973 9.3167 9.3167 9.4080 9.4080 9.5365 9.5365 9.5642 9.5642 9.7504 9.7504 9.7735 9.7735 10.0334 10.0334 10.2845 10.2845 10.8433 10.8433 11.4399 11.4399 11.5424 11.5424 11.7921 11.7921 14.7430 14.7430 15.0321 15.0321 15.0524 15.0524 15.1945 15.1945 k = 0.4300-0.2483 0.3511 ( 2666 PWs) bands (ev): -36.6553 -36.6553 -15.6570 -15.6570 -15.1571 -15.1571 -15.1498 -15.1498 -1.9151 -1.9151 -1.8991 -1.8991 -1.0872 -1.0872 -1.0603 -1.0603 -1.0379 -1.0379 6.0927 6.0927 7.6959 7.6959 9.0834 9.0834 9.3193 9.3193 9.4017 9.4017 9.5443 9.5443 9.5777 9.5777 9.7465 9.7465 9.7645 9.7645 10.0335 10.0335 10.2849 10.2849 10.7971 10.7971 11.4280 11.4280 11.5328 11.5328 11.7864 11.7864 14.7416 14.7416 15.0028 15.0028 15.0219 15.0219 15.1579 15.1579 k = 0.4400-0.2540 0.3593 ( 2674 PWs) bands (ev): -36.6552 -36.6552 -15.6572 -15.6572 -15.1573 -15.1573 -15.1499 -15.1499 -1.9151 -1.9151 -1.8991 -1.8991 -1.0874 -1.0874 -1.0606 -1.0606 -1.0374 -1.0374 6.1651 6.1651 7.6524 7.6524 9.0711 9.0711 9.3216 9.3216 9.3953 9.3953 9.5509 9.5509 9.5909 9.5909 9.7431 9.7431 9.7553 9.7553 10.0335 10.0335 10.2853 10.2853 10.7572 10.7572 11.4177 11.4177 11.5245 11.5245 11.7815 11.7815 14.7404 14.7404 14.9772 14.9772 14.9954 14.9954 15.1263 15.1263 k = 0.4500-0.2598 0.3674 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6572 -15.6572 -15.1574 -15.1574 -15.1499 -15.1499 -1.9151 -1.9151 -1.8990 -1.8990 -1.0874 -1.0874 -1.0606 -1.0606 -1.0369 -1.0369 6.2315 6.2315 7.6111 7.6111 9.0606 9.0606 9.3236 9.3236 9.3890 9.3890 9.5566 9.5566 9.6036 9.6036 9.7402 9.7402 9.7463 9.7463 10.0336 10.0336 10.2857 10.2857 10.7236 10.7236 11.4090 11.4090 11.5176 11.5176 11.7774 11.7774 14.7394 14.7394 14.9554 14.9554 14.9727 14.9727 15.0996 15.0996 k = 0.4600-0.2656 0.3756 ( 2682 PWs) bands (ev): -36.6552 -36.6552 -15.6573 -15.6573 -15.1575 -15.1575 -15.1501 -15.1501 -1.9153 -1.9153 -1.8990 -1.8990 -1.0877 -1.0877 -1.0607 -1.0607 -1.0368 -1.0368 6.2900 6.2900 7.5737 7.5737 9.0519 9.0519 9.3251 9.3251 9.3832 9.3832 9.5611 9.5611 9.6154 9.6154 9.7373 9.7373 9.7378 9.7378 10.0337 10.0337 10.2859 10.2859 10.6962 10.6962 11.4019 11.4019 11.5119 11.5119 11.7740 11.7740 14.7385 14.7385 14.9375 14.9375 14.9540 14.9540 15.0779 15.0779 k = 0.4700-0.2714 0.3838 ( 2690 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1576 -15.1576 -15.1501 -15.1501 -1.9154 -1.9154 -1.8992 -1.8992 -1.0878 -1.0878 -1.0610 -1.0610 -1.0366 -1.0366 6.3387 6.3387 7.5416 7.5416 9.0451 9.0451 9.3263 9.3263 9.3782 9.3782 9.5645 9.5645 9.6261 9.6261 9.7288 9.7288 9.7360 9.7360 10.0337 10.0337 10.2862 10.2862 10.6748 10.6748 11.3963 11.3963 11.5076 11.5076 11.7714 11.7714 14.7378 14.7378 14.9234 14.9234 14.9395 14.9395 15.0610 15.0610 k = 0.4800-0.2771 0.3919 ( 2698 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9154 -1.9154 -1.8992 -1.8992 -1.0879 -1.0879 -1.0611 -1.0611 -1.0365 -1.0365 6.3757 6.3757 7.5167 7.5167 9.0403 9.0403 9.3272 9.3272 9.3745 9.3745 9.5669 9.5669 9.6349 9.6349 9.7216 9.7216 9.7347 9.7347 10.0338 10.0338 10.2864 10.2864 10.6597 10.6597 11.3923 11.3923 11.5044 11.5044 11.7696 11.7696 14.7373 14.7373 14.9133 14.9133 14.9290 14.9290 15.0490 15.0490 k = 0.4900-0.2829 0.4001 ( 2698 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9154 -1.9154 -1.8992 -1.8992 -1.0879 -1.0879 -1.0611 -1.0611 -1.0364 -1.0364 6.3988 6.3988 7.5008 7.5008 9.0373 9.0373 9.3278 9.3278 9.3721 9.3721 9.5684 9.5684 9.6412 9.6412 9.7164 9.7164 9.7340 9.7340 10.0338 10.0338 10.2866 10.2866 10.6506 10.6506 11.3900 11.3900 11.5026 11.5026 11.7685 11.7685 14.7370 14.7370 14.9073 14.9073 14.9227 14.9227 15.0418 15.0418 k = 0.5000-0.2887 0.4082 ( 2698 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9154 -1.9154 -1.8992 -1.8992 -1.0879 -1.0879 -1.0612 -1.0612 -1.0364 -1.0364 6.4067 6.4067 7.4954 7.4954 9.0364 9.0364 9.3280 9.3280 9.3713 9.3713 9.5689 9.5689 9.6434 9.6434 9.7144 9.7144 9.7337 9.7337 10.0338 10.0338 10.2867 10.2867 10.6476 10.6476 11.3892 11.3892 11.5020 11.5020 11.7681 11.7681 14.7369 14.7369 14.9053 14.9053 14.9206 14.9206 15.0394 15.0394 k = 0.5000-0.2887 0.4082 ( 2698 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9154 -1.9154 -1.8992 -1.8992 -1.0879 -1.0879 -1.0612 -1.0612 -1.0364 -1.0364 6.4067 6.4067 7.4954 7.4954 9.0364 9.0364 9.3280 9.3280 9.3713 9.3713 9.5689 9.5689 9.6434 9.6434 9.7144 9.7144 9.7337 9.7337 10.0338 10.0338 10.2867 10.2867 10.6476 10.6476 11.3892 11.3892 11.5020 11.5020 11.7681 11.7681 14.7369 14.7369 14.9053 14.9053 14.9206 14.9206 15.0394 15.0394 k = 0.5000-0.2771 0.4164 ( 2698 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9154 -1.9154 -1.8992 -1.8992 -1.0878 -1.0878 -1.0612 -1.0612 -1.0364 -1.0364 6.4072 6.4072 7.4966 7.4966 9.0348 9.0348 9.3280 9.3280 9.3712 9.3712 9.5693 9.5693 9.6436 9.6436 9.7146 9.7146 9.7342 9.7342 10.0336 10.0336 10.2848 10.2848 10.6476 10.6476 11.3756 11.3756 11.4858 11.4858 11.7969 11.7969 14.7387 14.7387 14.9049 14.9049 14.9203 14.9203 15.0428 15.0428 k = 0.5000-0.2656 0.4246 ( 2686 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9152 -1.9152 -1.8991 -1.8991 -1.0876 -1.0876 -1.0610 -1.0610 -1.0363 -1.0363 6.4087 6.4087 7.5004 7.5004 9.0301 9.0301 9.3280 9.3280 9.3707 9.3707 9.5705 9.5705 9.6444 9.6444 9.7152 9.7152 9.7359 9.7359 10.0331 10.0331 10.2795 10.2795 10.6479 10.6479 11.3358 11.3358 11.4541 11.4541 11.8655 11.8655 14.7437 14.7437 14.9037 14.9037 14.9194 14.9194 15.0530 15.0530 k = 0.5000-0.2540 0.4327 ( 2682 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1576 -15.1576 -15.1502 -15.1502 -1.9149 -1.9149 -1.8991 -1.8991 -1.0873 -1.0873 -1.0610 -1.0610 -1.0364 -1.0364 6.4113 6.4113 7.5067 7.5067 9.0223 9.0223 9.3280 9.3280 9.3700 9.3700 9.5724 9.5724 9.6456 9.6456 9.7160 9.7160 9.7385 9.7385 10.0323 10.0323 10.2703 10.2703 10.6482 10.6482 11.2781 11.2781 11.4203 11.4203 11.9529 11.9529 14.7511 14.7511 14.9010 14.9010 14.9184 14.9184 15.0700 15.0700 k = 0.5000-0.2425 0.4409 ( 2678 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1576 -15.1576 -15.1502 -15.1502 -1.9147 -1.9147 -1.8991 -1.8991 -1.0869 -1.0869 -1.0609 -1.0609 -1.0366 -1.0366 6.4147 6.4147 7.5154 7.5154 9.0113 9.0113 9.3278 9.3278 9.3692 9.3692 9.5748 9.5748 9.6476 9.6476 9.7171 9.7171 9.7421 9.7421 10.0312 10.0312 10.2572 10.2572 10.6487 10.6487 11.2138 11.2138 11.3831 11.3831 12.0497 12.0497 14.7600 14.7600 14.8966 14.8966 14.9177 14.9177 15.0940 15.0940 k = 0.5000-0.2309 0.4491 ( 2674 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1575 -15.1575 -15.1503 -15.1503 -1.9144 -1.9144 -1.8991 -1.8991 -1.0866 -1.0866 -1.0607 -1.0607 -1.0367 -1.0367 6.4191 6.4191 7.5266 7.5266 8.9972 8.9972 9.3274 9.3274 9.3684 9.3684 9.5775 9.5775 9.6505 9.6505 9.7184 9.7184 9.7467 9.7467 10.0297 10.0297 10.2402 10.2402 10.6493 10.6493 11.1496 11.1496 11.3408 11.3408 12.1518 12.1518 14.7694 14.7694 14.8900 14.8900 14.9175 14.9175 15.1244 15.1244 k = 0.5000-0.2194 0.4572 ( 2676 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1575 -15.1575 -15.1504 -15.1504 -1.9142 -1.9142 -1.8992 -1.8992 -1.0862 -1.0862 -1.0606 -1.0606 -1.0370 -1.0370 6.4243 6.4243 7.5403 7.5403 8.9801 8.9801 9.3266 9.3266 9.3681 9.3681 9.5802 9.5802 9.6544 9.6544 9.7198 9.7198 9.7522 9.7522 10.0279 10.0279 10.2193 10.2193 10.6500 10.6500 11.0884 11.0884 11.2930 11.2930 12.2575 12.2575 14.7786 14.7786 14.8813 14.8813 14.9177 14.9177 15.1604 15.1604 k = 0.5000-0.2078 0.4654 ( 2676 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1574 -15.1574 -15.1505 -15.1505 -1.9138 -1.9138 -1.8992 -1.8992 -1.0857 -1.0857 -1.0605 -1.0605 -1.0373 -1.0373 6.4303 6.4303 7.5564 7.5564 8.9599 8.9599 9.3253 9.3253 9.3682 9.3682 9.5828 9.5828 9.6595 9.6595 9.7212 9.7212 9.7585 9.7585 10.0259 10.0259 10.1947 10.1947 10.6509 10.6509 11.0320 11.0320 11.2403 11.2403 12.3656 12.3656 14.7871 14.7871 14.8704 14.8704 14.9183 14.9183 15.2009 15.2009 k = 0.5000-0.1963 0.4736 ( 2680 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1574 -15.1574 -15.1506 -15.1506 -1.9135 -1.9135 -1.8994 -1.8994 -1.0852 -1.0852 -1.0604 -1.0604 -1.0377 -1.0377 6.4370 6.4370 7.5750 7.5750 8.9368 8.9368 9.3235 9.3235 9.3690 9.3690 9.5852 9.5852 9.6657 9.6657 9.7227 9.7227 9.7656 9.7656 10.0236 10.0236 10.1665 10.1665 10.6517 10.6517 10.9809 10.9809 11.1835 11.1835 12.4754 12.4754 14.7947 14.7947 14.8575 14.8575 14.9191 14.9191 15.2443 15.2443 k = 0.5000-0.1848 0.4817 ( 2680 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1573 -15.1573 -15.1507 -15.1507 -1.9131 -1.9131 -1.8994 -1.8994 -1.0846 -1.0846 -1.0602 -1.0602 -1.0382 -1.0382 6.4443 6.4443 7.5959 7.5959 8.9108 8.9108 9.3212 9.3212 9.3705 9.3705 9.5872 9.5872 9.6729 9.6729 9.7242 9.7242 9.7735 9.7735 10.0211 10.0211 10.1352 10.1352 10.6528 10.6528 10.9351 10.9351 11.1237 11.1237 12.5863 12.5863 14.8013 14.8013 14.8425 14.8425 14.9202 14.9202 15.2889 15.2889 k = 0.5000-0.1732 0.4899 ( 2684 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1572 -15.1572 -15.1508 -15.1508 -1.9126 -1.9126 -1.8996 -1.8996 -1.0840 -1.0840 -1.0600 -1.0600 -1.0387 -1.0387 6.4521 6.4521 7.6192 7.6192 8.8818 8.8818 9.3185 9.3185 9.3728 9.3728 9.5887 9.5887 9.6811 9.6811 9.7257 9.7257 9.7823 9.7823 10.0183 10.0183 10.1017 10.1017 10.6538 10.6538 10.8944 10.8944 11.0620 11.0620 12.6976 12.6976 14.8061 14.8061 14.8261 14.8261 14.9213 14.9213 15.3331 15.3331 k = 0.5000-0.1617 0.4981 ( 2674 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1571 -15.1571 -15.1509 -15.1509 -1.9121 -1.9121 -1.8996 -1.8996 -1.0832 -1.0832 -1.0596 -1.0596 -1.0391 -1.0391 6.4603 6.4603 7.6448 7.6448 8.8501 8.8501 9.3155 9.3155 9.3760 9.3760 9.5899 9.5899 9.6899 9.6899 9.7272 9.7272 9.7921 9.7921 10.0155 10.0155 10.0666 10.0666 10.6550 10.6550 10.8576 10.8576 11.0000 11.0000 12.8091 12.8091 14.8005 14.8005 14.8171 14.8171 14.9225 14.9225 15.3756 15.3756 k = 0.5000-0.1501 0.5062 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1570 -15.1570 -15.1511 -15.1511 -1.9115 -1.9115 -1.8997 -1.8997 -1.0825 -1.0825 -1.0592 -1.0592 -1.0397 -1.0397 6.4689 6.4689 7.6727 7.6727 8.8156 8.8156 9.3123 9.3123 9.3798 9.3798 9.5906 9.5906 9.6990 9.6990 9.7286 9.7286 9.8029 9.8029 10.0119 10.0119 10.0314 10.0314 10.6560 10.6560 10.8229 10.8229 10.9397 10.9397 12.9203 12.9203 14.7798 14.7798 14.8201 14.8201 14.9238 14.9238 15.4154 15.4154 k = 0.5000-0.1386 0.5144 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1569 -15.1569 -15.1512 -15.1512 -1.9109 -1.9109 -1.8998 -1.8998 -1.0818 -1.0818 -1.0588 -1.0588 -1.0403 -1.0403 6.4775 6.4775 7.7028 7.7028 8.7785 8.7785 9.3090 9.3090 9.3844 9.3844 9.5908 9.5908 9.7082 9.7082 9.7299 9.7299 9.8151 9.8151 9.9933 9.9933 10.0116 10.0116 10.6567 10.6567 10.7870 10.7870 10.8851 10.8851 13.0308 13.0308 14.7547 14.7547 14.8241 14.8241 14.9252 14.9252 15.4517 15.4517 k = 0.5000-0.1270 0.5226 ( 2668 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1568 -15.1568 -15.1514 -15.1514 -1.9104 -1.9104 -1.9000 -1.9000 -1.0812 -1.0812 -1.0584 -1.0584 -1.0410 -1.0410 6.4862 6.4862 7.7351 7.7351 8.7389 8.7389 9.3057 9.3057 9.3898 9.3898 9.5903 9.5903 9.7169 9.7169 9.7309 9.7309 9.8287 9.8287 9.9597 9.9597 10.0079 10.0079 10.6564 10.6564 10.7452 10.7452 10.8411 10.8411 13.1401 13.1401 14.7264 14.7264 14.8279 14.8279 14.9265 14.9265 15.4841 15.4841 k = 0.5000-0.1155 0.5307 ( 2676 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1567 -15.1567 -15.1516 -15.1516 -1.9099 -1.9099 -1.9003 -1.9003 -1.0806 -1.0806 -1.0581 -1.0581 -1.0417 -1.0417 6.4947 6.4947 7.7695 7.7695 8.6969 8.6969 9.3024 9.3024 9.3958 9.3958 9.5890 9.5890 9.7248 9.7248 9.7317 9.7317 9.8438 9.8438 9.9277 9.9277 10.0050 10.0050 10.6507 10.6507 10.7001 10.7001 10.8098 10.8098 13.2478 13.2478 14.6949 14.6949 14.8315 14.8315 14.9278 14.9278 15.5125 15.5125 k = 0.5000-0.1039 0.5389 ( 2668 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1565 -15.1565 -15.1517 -15.1517 -1.9093 -1.9093 -1.9004 -1.9004 -1.0800 -1.0800 -1.0575 -1.0575 -1.0424 -1.0424 6.5030 6.5030 7.8059 7.8059 8.6530 8.6530 9.2993 9.2993 9.4027 9.4027 9.5868 9.5868 9.7296 9.7296 9.7342 9.7342 9.8598 9.8598 9.8998 9.8998 10.0023 10.0023 10.6192 10.6192 10.6757 10.6757 10.7877 10.7877 13.3537 13.3537 14.6601 14.6601 14.8347 14.8347 14.9291 14.9291 15.5369 15.5369 k = 0.5000-0.0924 0.5471 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1564 -15.1564 -15.1518 -15.1518 -1.9087 -1.9087 -1.9007 -1.9007 -1.0795 -1.0795 -1.0569 -1.0569 -1.0432 -1.0432 6.5109 6.5109 7.8443 7.8443 8.6072 8.6072 9.2964 9.2964 9.4103 9.4103 9.5833 9.5833 9.7294 9.7294 9.7398 9.7398 9.8645 9.8645 9.8887 9.8887 10.0001 10.0001 10.5652 10.5652 10.6720 10.6720 10.7710 10.7710 13.4574 13.4574 14.6217 14.6217 14.8377 14.8377 14.9302 14.9302 15.5577 15.5577 k = 0.5000-0.0808 0.5552 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1563 -15.1563 -15.1520 -15.1520 -1.9082 -1.9082 -1.9009 -1.9009 -1.0789 -1.0789 -1.0562 -1.0562 -1.0440 -1.0440 6.5183 6.5183 7.8845 7.8845 8.5598 8.5598 9.2937 9.2937 9.4187 9.4187 9.5784 9.5784 9.7276 9.7276 9.7450 9.7450 9.8472 9.8472 9.9059 9.9059 9.9985 9.9985 10.5078 10.5078 10.6722 10.6722 10.7580 10.7580 13.5585 13.5585 14.5797 14.5797 14.8403 14.8403 14.9313 14.9313 15.5750 15.5750 k = 0.5000-0.0693 0.5634 ( 2668 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1562 -15.1562 -15.1521 -15.1521 -1.9077 -1.9077 -1.9011 -1.9011 -1.0785 -1.0785 -1.0555 -1.0555 -1.0449 -1.0449 6.5250 6.5250 7.9265 7.9265 8.5112 8.5112 9.2913 9.2913 9.4278 9.4278 9.5719 9.5719 9.7246 9.7246 9.7492 9.7492 9.8312 9.8312 9.9279 9.9279 9.9981 9.9981 10.4507 10.4507 10.6734 10.6734 10.7474 10.7474 13.6567 13.6567 14.5338 14.5338 14.8426 14.8426 14.9323 14.9323 15.5891 15.5891 k = 0.5000-0.0577 0.5715 ( 2664 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1561 -15.1561 -15.1523 -15.1523 -1.9071 -1.9071 -1.9013 -1.9013 -1.0781 -1.0781 -1.0547 -1.0547 -1.0457 -1.0457 6.5308 6.5308 7.9702 7.9702 8.4615 8.4615 9.2892 9.2892 9.4377 9.4377 9.5636 9.5636 9.7207 9.7207 9.7525 9.7525 9.8195 9.8195 9.9502 9.9502 10.0005 10.0005 10.3954 10.3954 10.6750 10.6750 10.7388 10.7388 13.7517 13.7517 14.4839 14.4839 14.8446 14.8446 14.9332 14.9332 15.6005 15.6005 k = 0.5000-0.0462 0.5797 ( 2668 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1560 -15.1560 -15.1524 -15.1524 -1.9067 -1.9067 -1.9016 -1.9016 -1.0778 -1.0778 -1.0539 -1.0539 -1.0466 -1.0466 6.5358 6.5358 8.0153 8.0153 8.4112 8.4112 9.2875 9.2875 9.4483 9.4483 9.5538 9.5538 9.7164 9.7164 9.7548 9.7548 9.8116 9.8116 9.9674 9.9674 10.0106 10.0106 10.3425 10.3425 10.6767 10.6767 10.7319 10.7319 13.8432 13.8432 14.4300 14.4300 14.8462 14.8462 14.9339 14.9339 15.6094 15.6094 k = 0.5000-0.0346 0.5879 ( 2672 PWs) bands (ev): -36.6552 -36.6552 -15.6577 -15.6577 -15.1559 -15.1559 -15.1525 -15.1525 -1.9063 -1.9063 -1.9019 -1.9019 -1.0776 -1.0776 -1.0531 -1.0531 -1.0476 -1.0476 6.5398 6.5398 8.0618 8.0618 8.3606 8.3606 9.2861 9.2861 9.4594 9.4594 9.5428 9.5428 9.7125 9.7125 9.7565 9.7565 9.8068 9.8068 9.9752 9.9752 10.0325 10.0325 10.2926 10.2926 10.6783 10.6783 10.7264 10.7264 13.9309 13.9309 14.3718 14.3718 14.8474 14.8474 14.9345 14.9345 15.6161 15.6161 k = 0.5000-0.0231 0.5960 ( 2664 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9059 -1.9059 -1.9020 -1.9020 -1.0773 -1.0773 -1.0522 -1.0522 -1.0484 -1.0484 6.5427 6.5427 8.1094 8.1094 8.3100 8.3100 9.2851 9.2851 9.4706 9.4706 9.5312 9.5312 9.7095 9.7095 9.7576 9.7576 9.8041 9.8041 9.9776 9.9776 10.0613 10.0613 10.2467 10.2467 10.6797 10.6797 10.7224 10.7224 14.0145 14.0145 14.3094 14.3094 14.8483 14.8483 14.9350 14.9350 15.6207 15.6207 k = 0.5000-0.0115 0.6042 ( 2660 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9057 -1.9057 -1.9021 -1.9021 -1.0771 -1.0771 -1.0513 -1.0513 -1.0494 -1.0494 6.5445 6.5445 8.1577 8.1577 8.2598 8.2598 9.2845 9.2845 9.4809 9.4809 9.5207 9.5207 9.7076 9.7076 9.7582 9.7582 9.8027 9.8027 9.9784 9.9784 10.0906 10.0906 10.2080 10.2080 10.6806 10.6806 10.7200 10.7200 14.0937 14.0937 14.2431 14.2431 14.8489 14.8489 14.9352 14.9352 15.6234 15.6234 k = 0.5000-0.0000 0.6124 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9055 -1.9055 -1.9022 -1.9022 -1.0771 -1.0771 -1.0504 -1.0504 -1.0501 -1.0501 6.5451 6.5451 8.1983 8.1983 8.2185 8.2185 9.2843 9.2843 9.4860 9.4860 9.5155 9.5155 9.7069 9.7069 9.7584 9.7584 9.8023 9.8023 9.9785 9.9785 10.1064 10.1064 10.1891 10.1891 10.6809 10.6809 10.7191 10.7191 14.1568 14.1568 14.1844 14.1844 14.8491 14.8491 14.9353 14.9353 15.6243 15.6243 k = 0.5000-0.0000 0.6124 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9055 -1.9055 -1.9022 -1.9022 -1.0771 -1.0771 -1.0504 -1.0504 -1.0501 -1.0501 6.5451 6.5451 8.1983 8.1983 8.2185 8.2185 9.2843 9.2843 9.4860 9.4860 9.5155 9.5155 9.7069 9.7069 9.7584 9.7584 9.8023 9.8023 9.9785 9.9785 10.1064 10.1064 10.1891 10.1891 10.6809 10.6809 10.7191 10.7191 14.1568 14.1568 14.1844 14.1844 14.8491 14.8491 14.9353 14.9353 15.6243 15.6243 k = 0.4931 0.0120 0.6124 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9056 -1.9056 -1.9022 -1.9022 -1.0771 -1.0771 -1.0510 -1.0510 -1.0495 -1.0495 6.5439 6.5439 8.1730 8.1730 8.2443 8.2443 9.2844 9.2844 9.4833 9.4833 9.5182 9.5182 9.7069 9.7069 9.7577 9.7577 9.8016 9.8016 9.9782 9.9782 10.0978 10.0978 10.1971 10.1971 10.6832 10.6832 10.7237 10.7237 14.1158 14.1158 14.2224 14.2224 14.8506 14.8506 14.9357 14.9357 15.6241 15.6241 k = 0.4861 0.0241 0.6124 ( 2674 PWs) bands (ev): -36.6552 -36.6552 -15.6577 -15.6577 -15.1558 -15.1558 -15.1526 -15.1526 -1.9059 -1.9059 -1.9022 -1.9022 -1.0773 -1.0773 -1.0518 -1.0518 -1.0491 -1.0491 6.5405 6.5405 8.1412 8.1412 8.2769 8.2769 9.2847 9.2847 9.4771 9.4771 9.5244 9.5244 9.7066 9.7066 9.7551 9.7551 9.7999 9.7999 9.9770 9.9770 10.0815 10.0815 10.2105 10.2105 10.6863 10.6863 10.7423 10.7423 14.0595 14.0595 14.2696 14.2696 14.8550 14.8550 14.9367 14.9367 15.6233 15.6233 k = 0.4792 0.0361 0.6124 ( 2678 PWs) bands (ev): -36.6552 -36.6552 -15.6577 -15.6577 -15.1559 -15.1559 -15.1526 -15.1526 -1.9060 -1.9060 -1.9022 -1.9022 -1.0773 -1.0773 -1.0526 -1.0526 -1.0485 -1.0485 6.5356 6.5356 8.1107 8.1107 8.3086 8.3086 9.2852 9.2852 9.4696 9.4696 9.5317 9.5317 9.7062 9.7062 9.7505 9.7505 9.7980 9.7980 9.9751 9.9751 10.0657 10.0657 10.2202 10.2202 10.6869 10.6869 10.7790 10.7790 13.9986 13.9986 14.3154 14.3154 14.8626 14.8626 14.9383 14.9383 15.6215 15.6215 k = 0.4722 0.0481 0.6124 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1559 -15.1559 -15.1525 -15.1525 -1.9061 -1.9061 -1.9020 -1.9020 -1.0772 -1.0772 -1.0532 -1.0532 -1.0477 -1.0477 6.5294 6.5294 8.0818 8.0818 8.3387 8.3387 9.2859 9.2859 9.4616 9.4616 9.5391 9.5391 9.7052 9.7052 9.7439 9.7439 9.7968 9.7968 9.9724 9.9724 10.0531 10.0531 10.2236 10.2236 10.6861 10.6861 10.8322 10.8322 13.9335 13.9335 14.3592 14.3592 14.8735 14.8735 14.9402 14.9402 15.6184 15.6184 k = 0.4653 0.0601 0.6124 ( 2668 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1560 -15.1560 -15.1524 -15.1524 -1.9063 -1.9063 -1.9018 -1.9018 -1.0773 -1.0773 -1.0539 -1.0539 -1.0470 -1.0470 6.5224 6.5224 8.0547 8.0547 8.3669 8.3669 9.2867 9.2867 9.4537 9.4537 9.5456 9.5456 9.7023 9.7023 9.7367 9.7367 9.7972 9.7972 9.9692 9.9692 10.0439 10.0439 10.2209 10.2209 10.6847 10.6847 10.8989 10.8989 13.8645 13.8645 14.4008 14.4008 14.8875 14.8875 14.9425 14.9425 15.6136 15.6136 k = 0.4583 0.0722 0.6124 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1560 -15.1560 -15.1523 -15.1523 -1.9065 -1.9065 -1.9016 -1.9016 -1.0772 -1.0772 -1.0545 -1.0545 -1.0464 -1.0464 6.5149 6.5149 8.0293 8.0293 8.3930 8.3930 9.2876 9.2876 9.4458 9.4458 9.5505 9.5505 9.6960 9.6960 9.7312 9.7312 9.7994 9.7994 9.9659 9.9659 10.0376 10.0376 10.2133 10.2133 10.6831 10.6831 10.9766 10.9766 13.7918 13.7918 14.4401 14.4401 14.9046 14.9046 14.9448 14.9448 15.6069 15.6069 k = 0.4514 0.0842 0.6124 ( 2664 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1561 -15.1561 -15.1521 -15.1521 -1.9067 -1.9067 -1.9014 -1.9014 -1.0773 -1.0773 -1.0551 -1.0551 -1.0458 -1.0458 6.5071 6.5071 8.0059 8.0059 8.4169 8.4169 9.2886 9.2886 9.4382 9.4382 9.5533 9.5533 9.6866 9.6866 9.7288 9.7288 9.8034 9.8034 9.9629 9.9629 10.0334 10.0334 10.2022 10.2022 10.6816 10.6816 11.0626 11.0626 13.7156 13.7156 14.4771 14.4771 14.9245 14.9245 14.9474 14.9474 15.5980 15.5980 k = 0.4444 0.0962 0.6124 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1562 -15.1562 -15.1520 -15.1520 -1.9070 -1.9070 -1.9013 -1.9013 -1.0773 -1.0773 -1.0558 -1.0558 -1.0452 -1.0452 6.4994 6.4994 7.9843 7.9843 8.4387 8.4387 9.2897 9.2897 9.4309 9.4309 9.5532 9.5532 9.6763 9.6763 9.7286 9.7286 9.8092 9.8092 9.9602 9.9602 10.0307 10.0307 10.1886 10.1886 10.6801 10.6801 11.1550 11.1550 13.6363 13.6363 14.5115 14.5115 14.9442 14.9442 14.9530 14.9530 15.5865 15.5865 k = 0.4375 0.1083 0.6124 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1563 -15.1563 -15.1519 -15.1519 -1.9072 -1.9072 -1.9012 -1.9012 -1.0773 -1.0773 -1.0563 -1.0563 -1.0447 -1.0447 6.4918 6.4918 7.9647 7.9647 8.4584 8.4584 9.2908 9.2908 9.4238 9.4238 9.5500 9.5500 9.6672 9.6672 9.7295 9.7295 9.8168 9.8168 9.9580 9.9580 10.0287 10.0287 10.1735 10.1735 10.6788 10.6788 11.2519 11.2519 13.5544 13.5544 14.5434 14.5434 14.9495 14.9495 14.9755 14.9755 15.5721 15.5721 k = 0.4306 0.1203 0.6124 ( 2663 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1563 -15.1563 -15.1518 -15.1518 -1.9074 -1.9074 -1.9010 -1.9010 -1.0773 -1.0773 -1.0568 -1.0568 -1.0442 -1.0442 6.4847 6.4847 7.9471 7.9471 8.4759 8.4759 9.2921 9.2921 9.4170 9.4170 9.5438 9.5438 9.6603 9.6603 9.7308 9.7308 9.8261 9.8261 9.9563 9.9563 10.0270 10.0270 10.1574 10.1574 10.6777 10.6777 11.3516 11.3516 13.4705 13.4705 14.5726 14.5726 14.9514 14.9514 15.0038 15.0038 15.5547 15.5547 k = 0.4236 0.1323 0.6124 ( 2662 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1564 -15.1564 -15.1517 -15.1517 -1.9075 -1.9075 -1.9008 -1.9008 -1.0773 -1.0773 -1.0573 -1.0573 -1.0437 -1.0437 6.4780 6.4780 7.9315 7.9315 8.4912 8.4912 9.2934 9.2934 9.4106 9.4106 9.5355 9.5355 9.6559 9.6559 9.7321 9.7321 9.8369 9.8369 9.9551 9.9551 10.0252 10.0252 10.1410 10.1410 10.6767 10.6767 11.4524 11.4524 13.3854 13.3854 14.5989 14.5989 14.9527 14.9527 15.0349 15.0349 15.5340 15.5340 k = 0.4167 0.1443 0.6124 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1564 -15.1564 -15.1516 -15.1516 -1.9077 -1.9077 -1.9007 -1.9007 -1.0772 -1.0772 -1.0577 -1.0577 -1.0433 -1.0433 6.4721 6.4721 7.9179 7.9179 8.5045 8.5045 9.2949 9.2949 9.4045 9.4045 9.5262 9.5262 9.6532 9.6532 9.7334 9.7334 9.8488 9.8488 9.9544 9.9544 10.0230 10.0230 10.1249 10.1249 10.6758 10.6758 11.5522 11.5522 13.3005 13.3005 14.6222 14.6222 14.9535 14.9535 15.0682 15.0682 15.5101 15.5101 k = 0.4097 0.1564 0.6124 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1565 -15.1565 -15.1516 -15.1516 -1.9078 -1.9078 -1.9006 -1.9006 -1.0773 -1.0773 -1.0581 -1.0581 -1.0430 -1.0430 6.4669 6.4669 7.9064 7.9064 8.5157 8.5157 9.2963 9.2963 9.3988 9.3988 9.5169 9.5169 9.6517 9.6517 9.7345 9.7345 9.8615 9.8615 9.9543 9.9543 10.0199 10.0199 10.1099 10.1099 10.6750 10.6750 11.6488 11.6488 13.2174 13.2174 14.6424 14.6424 14.9540 14.9540 15.1035 15.1035 15.4830 15.4830 k = 0.4028 0.1684 0.6124 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1565 -15.1565 -15.1515 -15.1515 -1.9080 -1.9080 -1.9005 -1.9005 -1.0772 -1.0772 -1.0584 -1.0584 -1.0427 -1.0427 6.4625 6.4625 7.8969 7.8969 8.5248 8.5248 9.2978 9.2978 9.3937 9.3937 9.5086 9.5086 9.6509 9.6509 9.7354 9.7354 9.8743 9.8743 9.9550 9.9550 10.0152 10.0152 10.0966 10.0966 10.6744 10.6744 11.7391 11.7391 13.1387 13.1387 14.6592 14.6592 14.9542 14.9542 15.1402 15.1402 15.4530 15.4530 k = 0.3958 0.1804 0.6124 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1565 -15.1565 -15.1515 -15.1515 -1.9081 -1.9081 -1.9004 -1.9004 -1.0773 -1.0773 -1.0586 -1.0586 -1.0425 -1.0425 6.4590 6.4590 7.8896 7.8896 8.5319 8.5319 9.2991 9.2991 9.3893 9.3893 9.5017 9.5017 9.6505 9.6505 9.7361 9.7361 9.8863 9.8863 9.9568 9.9568 10.0087 10.0087 10.0860 10.0860 10.6740 10.6740 11.8192 11.8192 13.0680 13.0680 14.6725 14.6725 14.9543 14.9543 15.1779 15.1779 15.4206 15.4206 k = 0.3889 0.1925 0.6124 ( 2664 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1566 -15.1566 -15.1514 -15.1514 -1.9082 -1.9082 -1.9005 -1.9005 -1.0773 -1.0773 -1.0588 -1.0588 -1.0424 -1.0424 6.4565 6.4565 7.8843 7.8843 8.5371 8.5371 9.3002 9.3002 9.3859 9.3859 9.4966 9.4966 9.6503 9.6503 9.7366 9.7366 9.8964 9.8964 9.9602 9.9602 10.0003 10.0003 10.0785 10.0785 10.6736 10.6736 11.8836 11.8836 13.0105 13.0105 14.6822 14.6822 14.9542 14.9542 15.2154 15.2154 15.3868 15.3868 k = 0.3819 0.2045 0.6124 ( 2658 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1566 -15.1566 -15.1514 -15.1514 -1.9082 -1.9082 -1.9004 -1.9004 -1.0772 -1.0772 -1.0589 -1.0589 -1.0423 -1.0423 6.4550 6.4550 7.8811 7.8811 8.5401 8.5401 9.3009 9.3009 9.3837 9.3837 9.4936 9.4936 9.6503 9.6503 9.7369 9.7369 9.9032 9.9032 9.9652 9.9652 9.9915 9.9915 10.0742 10.0742 10.6734 10.6734 11.9262 11.9262 12.9721 12.9721 14.6881 14.6881 14.9541 14.9541 15.2499 15.2499 15.3545 15.3545 k = 0.3750 0.2165 0.6124 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1566 -15.1566 -15.1514 -15.1514 -1.9081 -1.9081 -1.9003 -1.9003 -1.0772 -1.0772 -1.0589 -1.0589 -1.0422 -1.0422 6.4545 6.4545 7.8801 7.8801 8.5411 8.5411 9.3012 9.3012 9.3830 9.3830 9.4926 9.4926 9.6503 9.6503 9.7370 9.7370 9.9055 9.9055 9.9687 9.9687 9.9867 9.9867 10.0729 10.0729 10.6734 10.6734 11.9412 11.9412 12.9585 12.9585 14.6901 14.6901 14.9541 14.9541 15.2685 15.2685 15.3367 15.3367 k = 0.3750 0.2165 0.6124 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1566 -15.1566 -15.1514 -15.1514 -1.9081 -1.9081 -1.9003 -1.9003 -1.0772 -1.0772 -1.0589 -1.0589 -1.0422 -1.0422 6.4545 6.4545 7.8801 7.8801 8.5411 8.5411 9.3012 9.3012 9.3830 9.3830 9.4926 9.4926 9.6503 9.6503 9.7370 9.7370 9.9055 9.9055 9.9687 9.9687 9.9867 9.9867 10.0729 10.0729 10.6734 10.6734 11.9412 11.9412 12.9585 12.9585 14.6901 14.6901 14.9541 14.9541 15.2685 15.2685 15.3367 15.3367 k = 0.3679 0.2124 0.6008 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1565 -15.1565 -15.1514 -15.1514 -1.9076 -1.9076 -1.9005 -1.9005 -1.0763 -1.0763 -1.0588 -1.0588 -1.0427 -1.0427 6.4429 6.4429 7.9238 7.9238 8.4913 8.4913 9.2988 9.2988 9.3819 9.3819 9.4816 9.4816 9.6490 9.6490 9.7364 9.7364 9.8895 9.8895 9.9545 9.9545 9.9713 9.9713 10.0834 10.0834 10.6763 10.6763 11.9843 11.9843 13.0274 13.0274 14.6636 14.6636 14.9647 14.9647 15.3274 15.3274 15.3319 15.3319 k = 0.3608 0.2083 0.5893 ( 2662 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1565 -15.1565 -15.1514 -15.1514 -1.9071 -1.9071 -1.9008 -1.9008 -1.0756 -1.0756 -1.0588 -1.0588 -1.0433 -1.0433 6.4263 6.4263 7.9696 7.9696 8.4435 8.4435 9.2967 9.2967 9.3779 9.3779 9.4729 9.4729 9.6464 9.6464 9.7354 9.7354 9.8710 9.8710 9.9383 9.9383 9.9608 9.9608 10.1022 10.1022 10.6793 10.6793 12.0281 12.0281 13.0980 13.0980 14.6357 14.6357 14.9769 14.9769 15.3240 15.3240 15.3893 15.3893 k = 0.3538 0.2043 0.5777 ( 2658 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1564 -15.1564 -15.1514 -15.1514 -1.9066 -1.9066 -1.9009 -1.9009 -1.0748 -1.0748 -1.0588 -1.0588 -1.0436 -1.0436 6.4042 6.4042 8.0173 8.0173 8.3991 8.3991 9.2950 9.2950 9.3704 9.3704 9.4676 9.4676 9.6426 9.6426 9.7344 9.7344 9.8539 9.8539 9.9209 9.9209 9.9541 9.9541 10.1252 10.1252 10.6825 10.6825 12.0724 12.0724 13.1706 13.1706 14.6061 14.6061 14.9909 14.9909 15.3136 15.3136 15.4537 15.4537 k = 0.3467 0.2002 0.5662 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6573 -15.6573 -15.1563 -15.1563 -15.1514 -15.1514 -1.9062 -1.9062 -1.9011 -1.9011 -1.0741 -1.0741 -1.0588 -1.0588 -1.0440 -1.0440 6.3761 6.3761 8.0669 8.0669 8.3593 8.3593 9.2934 9.2934 9.3594 9.3594 9.4658 9.4658 9.6375 9.6375 9.7334 9.7334 9.8398 9.8398 9.9042 9.9042 9.9488 9.9488 10.1505 10.1505 10.6860 10.6860 12.1173 12.1173 13.2453 13.2453 14.5751 14.5751 15.0068 15.0068 15.3009 15.3009 15.5205 15.5205 k = 0.3396 0.1961 0.5546 ( 2662 PWs) bands (ev): -36.6552 -36.6552 -15.6573 -15.6573 -15.1563 -15.1563 -15.1513 -15.1513 -1.9058 -1.9058 -1.9013 -1.9013 -1.0735 -1.0735 -1.0589 -1.0589 -1.0444 -1.0444 6.3414 6.3414 8.1178 8.1178 8.3255 8.3255 9.2919 9.2919 9.3455 9.3455 9.4670 9.4670 9.6315 9.6315 9.7323 9.7323 9.8287 9.8287 9.8886 9.8886 9.9444 9.9444 10.1774 10.1774 10.6896 10.6896 12.1628 12.1628 13.3224 13.3224 14.5426 14.5426 15.0247 15.0247 15.2861 15.2861 15.5896 15.5896 k = 0.3325 0.1920 0.5430 ( 2662 PWs) bands (ev): -36.6553 -36.6553 -15.6573 -15.6573 -15.1563 -15.1563 -15.1512 -15.1512 -1.9055 -1.9055 -1.9015 -1.9015 -1.0730 -1.0730 -1.0591 -1.0591 -1.0447 -1.0447 6.3001 6.3001 8.1691 8.1691 8.2992 8.2992 9.2901 9.2901 9.3303 9.3303 9.4705 9.4705 9.6250 9.6250 9.7311 9.7311 9.8201 9.8201 9.8742 9.8742 9.9407 9.9407 10.2054 10.2054 10.6934 10.6934 12.2088 12.2088 13.4019 13.4019 14.5087 14.5087 15.0445 15.0445 15.2695 15.2695 15.6611 15.6611 k = 0.3255 0.1879 0.5315 ( 2658 PWs) bands (ev): -36.6553 -36.6553 -15.6572 -15.6572 -15.1562 -15.1562 -15.1511 -15.1511 -1.9052 -1.9052 -1.9016 -1.9016 -1.0724 -1.0724 -1.0592 -1.0592 -1.0449 -1.0449 6.2521 6.2521 8.2156 8.2156 8.2861 8.2861 9.2863 9.2863 9.3160 9.3160 9.4755 9.4755 9.6185 9.6185 9.7297 9.7297 9.8135 9.8135 9.8614 9.8614 9.9379 9.9379 10.2345 10.2345 10.6975 10.6975 12.2553 12.2553 13.4840 13.4840 14.4732 14.4732 15.0664 15.0664 15.2513 15.2513 15.7348 15.7348 k = 0.3184 0.1838 0.5199 ( 2658 PWs) bands (ev): -36.6553 -36.6553 -15.6571 -15.6571 -15.1562 -15.1562 -15.1510 -15.1510 -1.9051 -1.9051 -1.9017 -1.9017 -1.0719 -1.0719 -1.0595 -1.0595 -1.0451 -1.0451 6.1976 6.1976 8.2365 8.2365 8.3070 8.3070 9.2774 9.2774 9.3064 9.3064 9.4816 9.4816 9.6121 9.6121 9.7278 9.7278 9.8078 9.8078 9.8504 9.8504 9.9358 9.9358 10.2645 10.2645 10.7019 10.7019 12.3023 12.3023 13.5687 13.5687 14.4364 14.4364 15.0903 15.0903 15.2318 15.2318 15.8105 15.8105 k = 0.3113 0.1797 0.5084 ( 2664 PWs) bands (ev): -36.6553 -36.6553 -15.6570 -15.6570 -15.1562 -15.1562 -15.1509 -15.1509 -1.9051 -1.9051 -1.9018 -1.9018 -1.0716 -1.0716 -1.0599 -1.0599 -1.0454 -1.0454 6.1370 6.1370 8.2361 8.2361 8.3574 8.3574 9.2624 9.2624 9.3026 9.3026 9.4884 9.4884 9.6061 9.6061 9.7256 9.7256 9.8023 9.8023 9.8419 9.8419 9.9346 9.9346 10.2954 10.2954 10.7065 10.7065 12.3497 12.3497 13.6561 13.6561 14.3982 14.3982 15.1160 15.1160 15.2113 15.2113 15.8883 15.8883 k = 0.3042 0.1757 0.4968 ( 2672 PWs) bands (ev): -36.6553 -36.6553 -15.6570 -15.6570 -15.1561 -15.1561 -15.1507 -15.1507 -1.9052 -1.9052 -1.9019 -1.9019 -1.0714 -1.0714 -1.0603 -1.0603 -1.0456 -1.0456 6.0708 6.0708 8.2360 8.2360 8.4153 8.4153 9.2447 9.2447 9.3017 9.3017 9.4957 9.4957 9.6006 9.6006 9.7229 9.7229 9.7958 9.7958 9.8366 9.8366 9.9342 9.9342 10.3272 10.3272 10.7116 10.7116 12.3977 12.3977 13.7463 13.7463 14.3586 14.3586 15.1420 15.1420 15.1915 15.1915 15.9678 15.9678 k = 0.2972 0.1716 0.4853 ( 2672 PWs) bands (ev): -36.6553 -36.6553 -15.6569 -15.6569 -15.1561 -15.1561 -15.1505 -15.1505 -1.9054 -1.9054 -1.9019 -1.9019 -1.0712 -1.0712 -1.0607 -1.0607 -1.0456 -1.0456 5.9997 5.9997 8.2402 8.2402 8.4759 8.4759 9.2262 9.2262 9.3018 9.3018 9.5032 9.5032 9.5958 9.5958 9.7202 9.7202 9.7882 9.7882 9.8347 9.8347 9.9346 9.9346 10.3602 10.3602 10.7171 10.7171 12.4463 12.4463 13.8392 13.8392 14.3178 14.3178 15.1531 15.1531 15.1878 15.1878 16.0491 16.0491 k = 0.2901 0.1675 0.4737 ( 2672 PWs) bands (ev): -36.6553 -36.6553 -15.6567 -15.6567 -15.1560 -15.1560 -15.1504 -15.1504 -1.9056 -1.9056 -1.9018 -1.9018 -1.0711 -1.0711 -1.0611 -1.0611 -1.0457 -1.0457 5.9244 5.9244 8.2492 8.2492 8.5380 8.5380 9.2076 9.2076 9.3024 9.3024 9.5107 9.5107 9.5916 9.5916 9.7177 9.7177 9.7798 9.7798 9.8355 9.8355 9.9358 9.9358 10.3944 10.3944 10.7231 10.7231 12.4955 12.4955 13.9348 13.9348 14.2757 14.2757 15.1347 15.1347 15.2149 15.2149 16.1320 16.1320 k = 0.2830 0.1634 0.4622 ( 2672 PWs) bands (ev): -36.6554 -36.6554 -15.6566 -15.6566 -15.1559 -15.1559 -15.1502 -15.1502 -1.9059 -1.9059 -1.9018 -1.9018 -1.0711 -1.0711 -1.0615 -1.0615 -1.0458 -1.0458 5.8456 5.8456 8.2626 8.2626 8.6011 8.6011 9.1892 9.1892 9.3032 9.3032 9.5179 9.5179 9.5881 9.5881 9.7156 9.7156 9.7713 9.7713 9.8382 9.8382 9.9376 9.9376 10.4300 10.4300 10.7298 10.7298 12.5453 12.5453 14.0330 14.0330 14.2325 14.2325 15.1104 15.1104 15.2493 15.2493 16.2163 16.2163 k = 0.2759 0.1593 0.4506 ( 2664 PWs) bands (ev): -36.6554 -36.6554 -15.6565 -15.6565 -15.1557 -15.1557 -15.1499 -15.1499 -1.9061 -1.9061 -1.9017 -1.9017 -1.0712 -1.0712 -1.0618 -1.0618 -1.0457 -1.0457 5.7640 5.7640 8.2800 8.2800 8.6647 8.6647 9.1713 9.1713 9.3038 9.3038 9.5245 9.5245 9.5853 9.5853 9.7144 9.7144 9.7635 9.7635 9.8423 9.8423 9.9401 9.9401 10.4669 10.4669 10.7374 10.7374 12.5956 12.5956 14.1332 14.1332 14.1887 14.1887 15.0846 15.0846 15.2867 15.2867 16.3020 16.3020 k = 0.2689 0.1552 0.4391 ( 2666 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1556 -15.1556 -15.1497 -15.1497 -1.9065 -1.9065 -1.9018 -1.9018 -1.0713 -1.0713 -1.0623 -1.0623 -1.0459 -1.0459 5.6802 5.6802 8.3007 8.3007 8.7282 8.7282 9.1540 9.1540 9.3043 9.3043 9.5298 9.5298 9.5835 9.5835 9.7144 9.7144 9.7565 9.7565 9.8473 9.8473 9.9431 9.9431 10.5055 10.5055 10.7458 10.7458 12.6466 12.6466 14.1420 14.1420 14.2378 14.2378 15.0579 15.0579 15.3265 15.3265 16.3888 16.3888 k = 0.2618 0.1511 0.4275 ( 2662 PWs) bands (ev): -36.6554 -36.6554 -15.6561 -15.6561 -15.1554 -15.1554 -15.1495 -15.1495 -1.9068 -1.9068 -1.9018 -1.9018 -1.0716 -1.0716 -1.0626 -1.0626 -1.0460 -1.0460 5.5948 5.5948 8.3243 8.3243 8.7912 8.7912 9.1375 9.1375 9.3045 9.3045 9.5332 9.5332 9.5833 9.5833 9.7158 9.7158 9.7510 9.7510 9.8532 9.8532 9.9466 9.9466 10.5457 10.5457 10.7555 10.7555 12.6982 12.6982 14.0959 14.0959 14.3430 14.3430 15.0306 15.0306 15.3686 15.3686 16.4764 16.4764 k = 0.2547 0.1471 0.4160 ( 2672 PWs) bands (ev): -36.6554 -36.6554 -15.6560 -15.6560 -15.1553 -15.1553 -15.1493 -15.1493 -1.9074 -1.9074 -1.9019 -1.9019 -1.0720 -1.0720 -1.0631 -1.0631 -1.0463 -1.0463 5.5084 5.5084 8.3500 8.3500 8.8526 8.8526 9.1220 9.1220 9.3042 9.3042 9.5341 9.5341 9.5852 9.5852 9.7186 9.7186 9.7472 9.7472 9.8596 9.8596 9.9505 9.9505 10.5877 10.5877 10.7669 10.7669 12.7505 12.7505 14.0486 14.0486 14.4502 14.4502 15.0029 15.0029 15.4129 15.4129 16.4907 16.4907 k = 0.2476 0.1430 0.4044 ( 2676 PWs) bands (ev): -36.6555 -36.6555 -15.6558 -15.6558 -15.1551 -15.1551 -15.1491 -15.1491 -1.9078 -1.9078 -1.9022 -1.9022 -1.0725 -1.0725 -1.0635 -1.0635 -1.0466 -1.0466 5.4216 5.4216 8.3775 8.3775 8.9116 8.9116 9.1077 9.1077 9.3035 9.3035 9.5323 9.5323 9.5897 9.5897 9.7231 9.7231 9.7454 9.7454 9.8666 9.8666 9.9549 9.9549 10.6310 10.6310 10.7804 10.7804 12.8035 12.8035 14.0005 14.0005 14.5588 14.5588 14.9752 14.9752 15.4592 15.4592 16.4460 16.4460 k = 0.2406 0.1389 0.3928 ( 2664 PWs) bands (ev): -36.6555 -36.6555 -15.6556 -15.6556 -15.1548 -15.1548 -15.1488 -15.1488 -1.9081 -1.9081 -1.9023 -1.9023 -1.0729 -1.0729 -1.0636 -1.0636 -1.0468 -1.0468 5.3346 5.3346 8.4063 8.4063 8.9662 8.9662 9.0956 9.0956 9.3025 9.3025 9.5280 9.5280 9.5973 9.5973 9.7293 9.7293 9.7459 9.7459 9.8740 9.8740 9.9597 9.9597 10.6754 10.6754 10.7973 10.7973 12.8573 12.8573 13.9517 13.9517 14.6675 14.6675 14.9483 14.9483 15.5073 15.5073 16.4039 16.4039 k = 0.2335 0.1348 0.3813 ( 2668 PWs) bands (ev): -36.6555 -36.6555 -15.6554 -15.6554 -15.1546 -15.1546 -15.1486 -15.1486 -1.9085 -1.9085 -1.9026 -1.9026 -1.0734 -1.0734 -1.0639 -1.0639 -1.0473 -1.0473 5.2479 5.2479 8.4359 8.4359 9.0125 9.0125 9.0885 9.0885 9.3009 9.3009 9.5218 9.5218 9.6080 9.6080 9.7369 9.7369 9.7484 9.7484 9.8818 9.8818 9.9648 9.9648 10.7193 10.7193 10.8192 10.8192 12.9117 12.9117 13.9023 13.9023 14.7724 14.7724 14.9258 14.9258 15.5571 15.5571 16.3651 16.3651 k = 0.2264 0.1307 0.3697 ( 2668 PWs) bands (ev): -36.6555 -36.6555 -15.6551 -15.6551 -15.1543 -15.1543 -15.1484 -15.1484 -1.9090 -1.9090 -1.9029 -1.9029 -1.0740 -1.0740 -1.0643 -1.0643 -1.0477 -1.0477 5.1619 5.1619 8.4661 8.4661 9.0382 9.0382 9.0973 9.0973 9.2988 9.2988 9.5139 9.5139 9.6225 9.6225 9.7461 9.7461 9.7531 9.7531 9.8898 9.8898 9.9702 9.9702 10.7600 10.7600 10.8493 10.8493 12.9669 12.9669 13.8524 13.8524 14.8445 14.8445 14.9361 14.9361 15.6085 15.6085 16.3305 16.3305 k = 0.2193 0.1266 0.3582 ( 2670 PWs) bands (ev): -36.6556 -36.6556 -15.6549 -15.6549 -15.1540 -15.1540 -15.1482 -15.1482 -1.9095 -1.9095 -1.9032 -1.9032 -1.0747 -1.0747 -1.0646 -1.0646 -1.0482 -1.0482 5.0767 5.0767 8.4965 8.4965 9.0391 9.0391 9.1251 9.1251 9.2963 9.2963 9.5048 9.5048 9.6409 9.6409 9.7570 9.7570 9.7596 9.7596 9.8982 9.8982 9.9759 9.9759 10.7953 10.7953 10.8904 10.8904 13.0228 13.0228 13.8020 13.8020 14.8398 14.8398 15.0223 15.0223 15.6612 15.6612 16.3014 16.3014 k = 0.2123 0.1226 0.3466 ( 2670 PWs) bands (ev): -36.6556 -36.6556 -15.6547 -15.6547 -15.1537 -15.1537 -15.1479 -15.1479 -1.9099 -1.9099 -1.9037 -1.9037 -1.0753 -1.0753 -1.0649 -1.0649 -1.0488 -1.0488 4.9928 4.9928 8.5268 8.5268 9.0321 9.0321 9.1541 9.1541 9.2933 9.2933 9.4949 9.4949 9.6632 9.6632 9.7671 9.7671 9.7704 9.7704 9.9069 9.9069 9.9821 9.9821 10.8264 10.8264 10.9418 10.9418 13.0796 13.0796 13.7514 13.7514 14.8153 14.8153 15.1260 15.1260 15.7149 15.7149 16.2793 16.2793 k = 0.2052 0.1185 0.3351 ( 2666 PWs) bands (ev): -36.6556 -36.6556 -15.6544 -15.6544 -15.1534 -15.1534 -15.1477 -15.1477 -1.9104 -1.9104 -1.9040 -1.9040 -1.0759 -1.0759 -1.0652 -1.0652 -1.0494 -1.0494 4.9104 4.9104 8.5569 8.5569 9.0238 9.0238 9.1776 9.1776 9.2899 9.2899 9.4841 9.4841 9.6880 9.6880 9.7760 9.7760 9.7869 9.7869 9.9160 9.9160 9.9886 9.9886 10.8566 10.8566 11.0006 11.0006 13.1372 13.1372 13.7005 13.7005 14.7879 14.7879 15.2284 15.2284 15.7693 15.7693 16.2664 16.2664 k = 0.1981 0.1144 0.3235 ( 2666 PWs) bands (ev): -36.6557 -36.6557 -15.6542 -15.6542 -15.1530 -15.1530 -15.1475 -15.1475 -1.9108 -1.9108 -1.9045 -1.9045 -1.0766 -1.0766 -1.0655 -1.0655 -1.0501 -1.0501 4.8295 4.8295 8.5865 8.5865 9.0156 9.0156 9.1943 9.1943 9.2862 9.2862 9.4727 9.4727 9.7128 9.7128 9.7854 9.7854 9.8083 9.8083 9.9253 9.9253 9.9956 9.9956 10.8883 10.8883 11.0650 11.0650 13.1956 13.1956 13.6495 13.6495 14.7600 14.7600 15.3246 15.3246 15.8242 15.8242 16.2653 16.2653 k = 0.1910 0.1103 0.3120 ( 2666 PWs) bands (ev): -36.6557 -36.6557 -15.6539 -15.6539 -15.1527 -15.1527 -15.1473 -15.1473 -1.9113 -1.9113 -1.9050 -1.9050 -1.0772 -1.0772 -1.0659 -1.0659 -1.0509 -1.0509 4.7505 4.7505 8.6155 8.6155 9.0080 9.0080 9.2049 9.2049 9.2822 9.2822 9.4608 9.4608 9.7351 9.7351 9.7951 9.7951 9.8354 9.8354 9.9352 9.9352 10.0032 10.0032 10.9230 10.9230 11.1337 11.1337 13.2548 13.2548 13.5986 13.5986 14.7325 14.7325 15.4106 15.4106 15.8790 15.8790 16.2796 16.2796 k = 0.1840 0.1062 0.3004 ( 2670 PWs) bands (ev): -36.6557 -36.6557 -15.6537 -15.6537 -15.1523 -15.1523 -15.1471 -15.1471 -1.9118 -1.9118 -1.9056 -1.9056 -1.0779 -1.0779 -1.0663 -1.0663 -1.0518 -1.0518 4.6734 4.6734 8.6437 8.6437 9.0012 9.0012 9.2102 9.2102 9.2778 9.2778 9.4485 9.4485 9.7535 9.7535 9.8047 9.8047 9.8674 9.8674 9.9459 9.9459 10.0114 10.0114 10.9618 10.9618 11.2061 11.2061 13.3147 13.3147 13.5479 13.5479 14.7056 14.7056 15.4827 15.4827 15.9333 15.9333 16.3125 16.3125 k = 0.1769 0.1021 0.2889 ( 2662 PWs) bands (ev): -36.6558 -36.6558 -15.6534 -15.6534 -15.1518 -15.1518 -15.1469 -15.1469 -1.9122 -1.9122 -1.9061 -1.9061 -1.0785 -1.0785 -1.0665 -1.0665 -1.0526 -1.0526 4.5984 4.5984 8.6712 8.6712 8.9953 8.9953 9.2113 9.2113 9.2733 9.2733 9.4360 9.4360 9.7689 9.7689 9.8141 9.8141 9.9008 9.9008 9.9584 9.9584 10.0206 10.0206 11.0054 11.0054 11.2817 11.2817 13.3754 13.3754 13.4976 13.4976 14.6799 14.6799 15.5387 15.5387 15.9865 15.9865 16.3665 16.3665 k = 0.1698 0.0980 0.2773 ( 2662 PWs) bands (ev): -36.6558 -36.6558 -15.6531 -15.6531 -15.1514 -15.1514 -15.1467 -15.1467 -1.9127 -1.9127 -1.9068 -1.9068 -1.0792 -1.0792 -1.0669 -1.0669 -1.0535 -1.0535 4.5257 4.5257 8.6978 8.6978 8.9902 8.9902 9.2093 9.2093 9.2685 9.2685 9.4232 9.4232 9.7819 9.7819 9.8231 9.8231 9.9301 9.9301 9.9756 9.9756 10.0310 10.0310 11.0542 11.0542 11.3601 11.3601 13.4322 13.4322 13.4523 13.4523 14.6556 14.6556 15.5784 15.5784 16.0380 16.0380 16.4414 16.4414 k = 0.1627 0.0940 0.2657 ( 2663 PWs) bands (ev): -36.6558 -36.6558 -15.6528 -15.6528 -15.1510 -15.1510 -15.1465 -15.1465 -1.9131 -1.9131 -1.9074 -1.9074 -1.0798 -1.0798 -1.0672 -1.0672 -1.0546 -1.0546 4.4554 4.4554 8.7235 8.7235 8.9860 8.9860 9.2049 9.2049 9.2635 9.2635 9.4103 9.4103 9.7934 9.7934 9.8315 9.8315 9.9503 9.9503 9.9999 9.9999 10.0432 10.0432 11.1085 11.1085 11.4409 11.4409 13.3961 13.3961 13.5012 13.5012 14.6330 14.6330 15.6041 15.6041 16.0869 16.0869 16.5348 16.5348 k = 0.1557 0.0899 0.2542 ( 2671 PWs) bands (ev): -36.6559 -36.6559 -15.6526 -15.6526 -15.1506 -15.1506 -15.1463 -15.1463 -1.9137 -1.9137 -1.9082 -1.9082 -1.0805 -1.0805 -1.0677 -1.0677 -1.0557 -1.0557 4.3875 4.3875 8.7482 8.7482 8.9826 8.9826 9.1987 9.1987 9.2582 9.2582 9.3971 9.3971 9.8036 9.8036 9.8393 9.8393 9.9633 9.9633 10.0268 10.0268 10.0586 10.0586 11.1685 11.1685 11.5237 11.5237 13.3473 13.3473 13.5642 13.5642 14.6126 14.6126 15.6192 15.6192 16.1324 16.1324 16.6432 16.6432 k = 0.1486 0.0858 0.2426 ( 2667 PWs) bands (ev): -36.6559 -36.6559 -15.6523 -15.6523 -15.1502 -15.1502 -15.1461 -15.1461 -1.9141 -1.9141 -1.9088 -1.9088 -1.0812 -1.0812 -1.0680 -1.0680 -1.0567 -1.0567 4.3221 4.3221 8.7719 8.7719 8.9802 8.9802 9.1913 9.1913 9.2529 9.2529 9.3840 9.3840 9.8131 9.8131 9.8465 9.8465 9.9730 9.9730 10.0493 10.0493 10.0796 10.0796 11.2341 11.2341 11.6078 11.6078 13.2990 13.2990 13.6284 13.6284 14.5946 14.5946 15.6271 15.6271 16.1737 16.1737 16.7629 16.7629 k = 0.1415 0.0817 0.2311 ( 2663 PWs) bands (ev): -36.6559 -36.6559 -15.6520 -15.6520 -15.1497 -15.1497 -15.1459 -15.1459 -1.9145 -1.9145 -1.9095 -1.9095 -1.0817 -1.0817 -1.0683 -1.0683 -1.0577 -1.0577 4.2594 4.2594 8.7946 8.7946 8.9786 8.9786 9.1831 9.1831 9.2474 9.2474 9.3708 9.3708 9.8217 9.8217 9.8531 9.8531 9.9811 9.9811 10.0670 10.0670 10.1044 10.1044 11.3050 11.3050 11.6928 11.6928 13.2515 13.2515 13.6934 13.6934 14.5795 14.5795 15.6306 15.6306 16.2099 16.2099 16.8908 16.8908 k = 0.1344 0.0776 0.2195 ( 2681 PWs) bands (ev): -36.6560 -36.6560 -15.6518 -15.6518 -15.1493 -15.1493 -15.1458 -15.1458 -1.9150 -1.9150 -1.9104 -1.9104 -1.0825 -1.0825 -1.0688 -1.0688 -1.0590 -1.0590 4.1993 4.1993 8.8162 8.8162 8.9778 8.9778 9.1743 9.1743 9.2418 9.2418 9.3575 9.3575 9.8297 9.8297 9.8589 9.8589 9.9880 9.9880 10.0827 10.0827 10.1292 10.1292 11.3805 11.3805 11.7781 11.7781 13.2049 13.2049 13.7591 13.7591 14.5676 14.5676 15.6319 15.6319 16.2400 16.2400 17.0238 17.0238 k = 0.1274 0.0735 0.2080 ( 2673 PWs) bands (ev): -36.6560 -36.6560 -15.6515 -15.6515 -15.1489 -15.1489 -15.1456 -15.1456 -1.9154 -1.9154 -1.9110 -1.9110 -1.0830 -1.0830 -1.0691 -1.0691 -1.0600 -1.0600 4.1420 4.1420 8.8369 8.8369 8.9779 8.9779 9.1653 9.1653 9.2362 9.2362 9.3443 9.3443 9.8370 9.8370 9.8642 9.8642 9.9943 9.9943 10.0982 10.0982 10.1522 10.1522 11.4606 11.4606 11.8629 11.8629 13.1596 13.1596 13.8255 13.8255 14.5593 14.5593 15.6325 15.6325 16.2636 16.2636 17.1084 17.1084 k = 0.1203 0.0694 0.1964 ( 2673 PWs) bands (ev): -36.6560 -36.6560 -15.6512 -15.6512 -15.1484 -15.1484 -15.1455 -15.1455 -1.9158 -1.9158 -1.9117 -1.9117 -1.0836 -1.0836 -1.0694 -1.0694 -1.0611 -1.0611 4.0876 4.0876 8.8565 8.8565 8.9788 8.9788 9.1562 9.1562 9.2305 9.2305 9.3310 9.3310 9.8438 9.8438 9.8688 9.8688 9.9998 9.9998 10.1138 10.1138 10.1730 10.1730 11.5444 11.5444 11.9467 11.9467 13.1154 13.1154 13.8926 13.8926 14.5550 14.5550 15.6335 15.6335 16.2803 16.2803 17.0693 17.0693 k = 0.1132 0.0654 0.1849 ( 2677 PWs) bands (ev): -36.6561 -36.6561 -15.6510 -15.6510 -15.1480 -15.1480 -15.1453 -15.1453 -1.9162 -1.9162 -1.9124 -1.9124 -1.0842 -1.0842 -1.0698 -1.0698 -1.0622 -1.0622 4.0360 4.0360 8.8750 8.8750 8.9804 8.9804 9.1472 9.1472 9.2247 9.2247 9.3178 9.3178 9.8500 9.8500 9.8728 9.8728 10.0048 10.0048 10.1294 10.1294 10.1914 10.1914 11.6310 11.6310 12.0285 12.0285 13.0727 13.0727 13.9601 13.9601 14.5548 14.5548 15.6359 15.6359 16.2901 16.2901 17.0265 17.0265 k = 0.1061 0.0613 0.1733 ( 2681 PWs) bands (ev): -36.6561 -36.6561 -15.6507 -15.6507 -15.1476 -15.1476 -15.1452 -15.1452 -1.9166 -1.9166 -1.9132 -1.9132 -1.0848 -1.0848 -1.0701 -1.0701 -1.0633 -1.0633 3.9873 3.9873 8.8925 8.8925 8.9828 8.9828 9.1386 9.1386 9.2190 9.2190 9.3047 9.3047 9.8556 9.8556 9.8763 9.8763 10.0092 10.0092 10.1451 10.1451 10.2075 10.2075 11.7200 11.7200 12.1078 12.1078 13.0315 13.0315 14.0281 14.0281 14.5590 14.5590 15.6402 15.6402 16.2935 16.2935 16.9817 16.9817 k = 0.0991 0.0572 0.1618 ( 2685 PWs) bands (ev): -36.6561 -36.6561 -15.6505 -15.6505 -15.1473 -15.1473 -15.1451 -15.1451 -1.9169 -1.9169 -1.9139 -1.9139 -1.0854 -1.0854 -1.0704 -1.0704 -1.0644 -1.0644 3.9416 3.9416 8.9088 8.9088 8.9859 8.9859 9.1302 9.1302 9.2133 9.2133 9.2917 9.2917 9.8608 9.8608 9.8793 9.8793 10.0133 10.0133 10.1608 10.1608 10.2216 10.2216 11.8105 11.8105 12.1838 12.1838 12.9920 12.9920 14.0964 14.0964 14.5677 14.5677 15.6473 15.6473 16.2913 16.2913 16.9332 16.9332 k = 0.0920 0.0531 0.1502 ( 2691 PWs) bands (ev): -36.6561 -36.6561 -15.6503 -15.6503 -15.1469 -15.1469 -15.1450 -15.1450 -1.9173 -1.9173 -1.9147 -1.9147 -1.0859 -1.0859 -1.0707 -1.0707 -1.0655 -1.0655 3.8989 3.8989 8.9240 8.9240 8.9896 8.9896 9.1225 9.1225 9.2075 9.2075 9.2788 9.2788 9.8655 9.8655 9.8819 9.8819 10.0169 10.0169 10.1762 10.1762 10.2340 10.2340 11.9017 11.9017 12.2556 12.2556 12.9544 12.9544 14.1648 14.1648 14.5808 14.5808 15.6576 15.6576 16.2845 16.2845 16.8793 16.8793 k = 0.0849 0.0490 0.1387 ( 2691 PWs) bands (ev): -36.6562 -36.6562 -15.6501 -15.6501 -15.1465 -15.1465 -15.1449 -15.1449 -1.9176 -1.9176 -1.9153 -1.9153 -1.0864 -1.0864 -1.0710 -1.0710 -1.0665 -1.0665 3.8593 3.8593 8.9381 8.9381 8.9939 8.9939 9.1155 9.1155 9.2019 9.2019 9.2661 9.2661 9.8698 9.8698 9.8841 9.8841 10.0202 10.0202 10.1913 10.1913 10.2447 10.2447 11.9928 11.9928 12.3230 12.3230 12.9188 12.9188 14.2331 14.2331 14.5979 14.5979 15.6716 15.6716 16.2742 16.2742 16.8189 16.8189 k = 0.0778 0.0449 0.1271 ( 2693 PWs) bands (ev): -36.6562 -36.6562 -15.6499 -15.6499 -15.1462 -15.1462 -15.1448 -15.1448 -1.9179 -1.9179 -1.9159 -1.9159 -1.0869 -1.0869 -1.0713 -1.0713 -1.0674 -1.0674 3.8227 3.8227 8.9510 8.9510 8.9987 8.9987 9.1093 9.1093 9.1963 9.1963 9.2536 9.2536 9.8737 9.8737 9.8859 9.8859 10.0231 10.0231 10.2059 10.2059 10.2540 10.2540 12.0829 12.0829 12.3851 12.3851 12.8854 12.8854 14.3010 14.3010 14.6187 14.6187 15.6897 15.6897 16.2615 16.2615 16.7520 16.7520 k = 0.0708 0.0409 0.1155 ( 2693 PWs) bands (ev): -36.6562 -36.6562 -15.6497 -15.6497 -15.1459 -15.1459 -15.1447 -15.1447 -1.9182 -1.9182 -1.9165 -1.9165 -1.0873 -1.0873 -1.0715 -1.0715 -1.0682 -1.0682 3.7892 3.7892 8.9627 8.9627 9.0036 9.0036 9.1042 9.1042 9.1908 9.1908 9.2413 9.2413 9.8772 9.8772 9.8874 9.8874 10.0257 10.0257 10.2198 10.2198 10.2620 10.2620 12.1710 12.1710 12.4417 12.4417 12.8542 12.8542 14.3683 14.3683 14.6423 14.6423 15.7121 15.7121 16.2474 16.2474 16.6801 16.6801 k = 0.0637 0.0368 0.1040 ( 2697 PWs) bands (ev): -36.6562 -36.6562 -15.6496 -15.6496 -15.1456 -15.1456 -15.1446 -15.1446 -1.9185 -1.9185 -1.9171 -1.9171 -1.0877 -1.0877 -1.0718 -1.0718 -1.0691 -1.0691 3.7588 3.7588 8.9734 8.9734 9.0086 9.0086 9.1002 9.1002 9.1855 9.1855 9.2293 9.2293 9.8802 9.8802 9.8887 9.8887 10.0280 10.0280 10.2329 10.2329 10.2689 10.2689 12.2561 12.2561 12.4924 12.4924 12.8255 12.8255 14.4344 14.4344 14.6678 14.6678 15.7385 15.7385 16.2331 16.2331 16.6064 16.6064 k = 0.0566 0.0327 0.0924 ( 2697 PWs) bands (ev): -36.6562 -36.6562 -15.6494 -15.6494 -15.1453 -15.1453 -15.1445 -15.1445 -1.9187 -1.9187 -1.9175 -1.9175 -1.0881 -1.0881 -1.0719 -1.0719 -1.0698 -1.0698 3.7316 3.7316 8.9831 8.9831 9.0132 9.0132 9.0976 9.0976 9.1803 9.1803 9.2177 9.2177 9.8829 9.8829 9.8897 9.8897 10.0300 10.0300 10.2450 10.2450 10.2748 10.2748 12.3371 12.3371 12.5371 12.5371 12.7994 12.7994 14.4989 14.4989 14.6941 14.6941 15.7681 15.7681 16.2198 16.2198 16.5345 16.5345 k = 0.0495 0.0286 0.0809 ( 2697 PWs) bands (ev): -36.6563 -36.6563 -15.6493 -15.6493 -15.1450 -15.1450 -15.1445 -15.1445 -1.9189 -1.9189 -1.9180 -1.9180 -1.0884 -1.0884 -1.0721 -1.0721 -1.0704 -1.0704 3.7075 3.7075 8.9918 8.9918 9.0172 9.0172 9.0966 9.0966 9.1752 9.1752 9.2064 9.2064 9.8853 9.8853 9.8906 9.8906 10.0318 10.0318 10.2561 10.2561 10.2798 10.2798 12.4129 12.4129 12.5759 12.5759 12.7760 12.7760 14.5610 14.5610 14.7201 14.7201 15.7991 15.7991 16.2092 16.2092 16.4675 16.4675 k = 0.0425 0.0245 0.0693 ( 2701 PWs) bands (ev): -36.6563 -36.6563 -15.6491 -15.6491 -15.1448 -15.1448 -15.1444 -15.1444 -1.9191 -1.9191 -1.9184 -1.9184 -1.0887 -1.0887 -1.0723 -1.0723 -1.0711 -1.0711 3.6866 3.6866 8.9997 8.9997 9.0204 9.0204 9.0971 9.0971 9.1705 9.1705 9.1956 9.1956 9.8873 9.8873 9.8912 9.8912 10.0333 10.0333 10.2660 10.2660 10.2840 10.2840 12.4822 12.4822 12.6088 12.6088 12.7556 12.7556 14.6198 14.6198 14.7445 14.7445 15.8281 15.8281 16.2038 16.2038 16.4076 16.4076 k = 0.0354 0.0204 0.0578 ( 2705 PWs) bands (ev): -36.6563 -36.6563 -15.6491 -15.6491 -15.1447 -15.1447 -15.1444 -15.1444 -1.9192 -1.9192 -1.9188 -1.9188 -1.0890 -1.0890 -1.0724 -1.0724 -1.0716 -1.0716 3.6689 3.6689 9.0068 9.0068 9.0225 9.0225 9.0991 9.0991 9.1660 9.1660 9.1854 9.1854 9.8889 9.8889 9.8917 9.8917 10.0345 10.0345 10.2746 10.2746 10.2874 10.2874 12.5436 12.5436 12.6360 12.6360 12.7382 12.7382 14.6741 14.6741 14.7665 14.7665 15.8507 15.8507 16.2070 16.2070 16.3565 16.3565 k = 0.0283 0.0163 0.0462 ( 2705 PWs) bands (ev): -36.6563 -36.6563 -15.6490 -15.6490 -15.1445 -15.1445 -15.1443 -15.1443 -1.9193 -1.9193 -1.9191 -1.9191 -1.0892 -1.0892 -1.0725 -1.0725 -1.0720 -1.0720 3.6544 3.6544 9.0129 9.0129 9.0239 9.0239 9.1022 9.1022 9.1620 9.1620 9.1760 9.1760 9.8903 9.8903 9.8921 9.8921 10.0355 10.0355 10.2817 10.2817 10.2902 10.2902 12.5957 12.5957 12.6580 12.6580 12.7242 12.7242 14.7225 14.7225 14.7853 14.7853 15.8632 15.8632 16.2211 16.2211 16.3150 16.3150 k = 0.0212 0.0123 0.0347 ( 2705 PWs) bands (ev): -36.6563 -36.6563 -15.6489 -15.6489 -15.1444 -15.1444 -15.1443 -15.1443 -1.9194 -1.9194 -1.9193 -1.9193 -1.0893 -1.0893 -1.0726 -1.0726 -1.0723 -1.0723 3.6432 3.6432 9.0180 9.0180 9.0246 9.0246 9.1060 9.1060 9.1586 9.1586 9.1676 9.1676 9.8914 9.8914 9.8924 9.8924 10.0363 10.0363 10.2874 10.2874 10.2922 10.2922 12.6367 12.6367 12.6752 12.6752 12.7138 12.7138 14.7631 14.7631 14.8004 14.8004 15.8654 15.8654 16.2442 16.2442 16.2830 16.2830 k = 0.0142 0.0082 0.0231 ( 2701 PWs) bands (ev): -36.6563 -36.6563 -15.6488 -15.6488 -15.1443 -15.1443 -15.1442 -15.1442 -1.9195 -1.9195 -1.9194 -1.9194 -1.0894 -1.0894 -1.0727 -1.0727 -1.0725 -1.0725 3.6351 3.6351 9.0219 9.0219 9.0250 9.0250 9.1100 9.1100 9.1560 9.1560 9.1605 9.1605 9.8921 9.8921 9.8926 9.8926 10.0368 10.0368 10.2915 10.2915 10.2937 10.2937 12.6640 12.6640 12.6890 12.6890 12.7075 12.7075 14.7940 14.7940 14.8113 14.8113 15.8614 15.8614 16.2556 16.2556 16.2747 16.2747 k = 0.0071 0.0041 0.0116 ( 2699 PWs) bands (ev): -36.6563 -36.6563 -15.6488 -15.6488 -15.1443 -15.1443 -15.1442 -15.1442 -1.9195 -1.9195 -1.9194 -1.9194 -1.0894 -1.0894 -1.0727 -1.0727 -1.0726 -1.0726 3.6303 3.6303 9.0243 9.0243 9.0251 9.0251 9.1131 9.1131 9.1543 9.1543 9.1556 9.1556 9.8926 9.8926 9.8927 9.8927 10.0372 10.0372 10.2940 10.2940 10.2946 10.2946 12.6761 12.6761 12.7003 12.7003 12.7052 12.7052 14.8135 14.8135 14.8180 14.8180 15.8563 15.8563 16.2426 16.2426 16.2941 16.2941 k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -36.6563 -36.6563 -15.6487 -15.6487 -15.1442 -15.1442 -15.1442 -15.1442 -1.9193 -1.9193 -1.9193 -1.9193 -1.0893 -1.0893 -1.0725 -1.0725 -1.0725 -1.0725 3.6286 3.6286 9.0252 9.0252 9.0252 9.0252 9.1144 9.1144 9.1538 9.1538 9.1538 9.1538 9.8927 9.8927 9.8927 9.8927 10.0373 10.0373 10.2950 10.2950 10.2950 10.2950 12.6787 12.6787 12.7051 12.7051 12.7051 12.7051 14.8202 14.8202 14.8202 14.8202 15.8542 15.8542 16.2378 16.2378 16.3020 16.3020 k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -36.6563 -36.6563 -15.6487 -15.6487 -15.1442 -15.1442 -15.1442 -15.1442 -1.9193 -1.9193 -1.9193 -1.9193 -1.0893 -1.0893 -1.0725 -1.0725 -1.0725 -1.0725 3.6286 3.6286 9.0252 9.0252 9.0252 9.0252 9.1144 9.1144 9.1538 9.1538 9.1538 9.1538 9.8927 9.8927 9.8927 9.8927 10.0373 10.0373 10.2950 10.2950 10.2950 10.2950 12.6787 12.6787 12.7051 12.7051 12.7051 12.7051 14.8202 14.8202 14.8202 14.8202 15.8542 15.8542 16.2378 16.2378 16.3020 16.3020 k = 0.0116 0.0067 0.0047 ( 2700 PWs) bands (ev): -36.6563 -36.6563 -15.6488 -15.6488 -15.1443 -15.1443 -15.1442 -15.1442 -1.9195 -1.9195 -1.9194 -1.9194 -1.0894 -1.0894 -1.0727 -1.0727 -1.0726 -1.0726 3.6303 3.6303 9.0247 9.0247 9.0247 9.0247 9.1130 9.1130 9.1546 9.1546 9.1554 9.1554 9.8926 9.8926 9.8927 9.8927 10.0372 10.0372 10.2943 10.2943 10.2943 10.2943 12.6759 12.6759 12.7003 12.7003 12.7054 12.7054 14.8152 14.8152 14.8162 14.8162 15.8563 15.8563 16.2426 16.2426 16.2935 16.2935 k = 0.0233 0.0134 0.0095 ( 2703 PWs) bands (ev): -36.6563 -36.6563 -15.6488 -15.6488 -15.1443 -15.1443 -15.1442 -15.1442 -1.9195 -1.9195 -1.9194 -1.9194 -1.0894 -1.0894 -1.0727 -1.0727 -1.0725 -1.0725 3.6352 3.6352 9.0233 9.0233 9.0235 9.0235 9.1097 9.1097 9.1569 9.1569 9.1599 9.1599 9.8921 9.8921 9.8926 9.8926 10.0368 10.0368 10.2924 10.2924 10.2927 10.2927 12.6602 12.6602 12.6934 12.6934 12.7066 12.7066 14.8006 14.8006 14.8045 14.8045 15.8608 15.8608 16.2541 16.2541 16.2751 16.2751 k = 0.0349 0.0201 0.0142 ( 2709 PWs) bands (ev): -36.6563 -36.6563 -15.6489 -15.6489 -15.1444 -15.1444 -15.1443 -15.1443 -1.9194 -1.9194 -1.9194 -1.9194 -1.0894 -1.0894 -1.0727 -1.0727 -1.0723 -1.0723 3.6433 3.6433 9.0211 9.0211 9.0216 9.0216 9.1051 9.1051 9.1607 9.1607 9.1663 9.1663 9.8913 9.8913 9.8924 9.8924 10.0363 10.0363 10.2894 10.2894 10.2901 10.2901 12.6247 12.6247 12.6917 12.6917 12.7085 12.7085 14.7775 14.7775 14.7857 14.7857 15.8617 15.8617 16.2411 16.2411 16.2880 16.2880 k = 0.0465 0.0269 0.0190 ( 2709 PWs) bands (ev): -36.6563 -36.6563 -15.6490 -15.6490 -15.1445 -15.1445 -15.1443 -15.1443 -1.9193 -1.9193 -1.9192 -1.9192 -1.0892 -1.0892 -1.0726 -1.0726 -1.0720 -1.0720 3.6548 3.6548 9.0181 9.0181 9.0192 9.0192 9.0999 9.0999 9.1657 9.1657 9.1740 9.1740 9.8902 9.8902 9.8922 9.8922 10.0355 10.0355 10.2852 10.2852 10.2864 10.2864 12.5729 12.5729 12.6926 12.6926 12.7111 12.7111 14.7475 14.7475 14.7607 14.7607 15.8500 15.8500 16.2272 16.2272 16.3221 16.3221 k = 0.0581 0.0336 0.0237 ( 2709 PWs) bands (ev): -36.6563 -36.6563 -15.6491 -15.6491 -15.1447 -15.1447 -15.1444 -15.1444 -1.9192 -1.9192 -1.9189 -1.9189 -1.0890 -1.0890 -1.0725 -1.0725 -1.0716 -1.0716 3.6695 3.6695 9.0145 9.0145 9.0165 9.0165 9.0944 9.0944 9.1719 9.1719 9.1825 9.1825 9.8887 9.8887 9.8918 9.8918 10.0344 10.0344 10.2798 10.2798 10.2818 10.2818 12.5072 12.5072 12.6944 12.6944 12.7143 12.7143 14.7124 14.7124 14.7308 14.7308 15.8190 15.8190 16.2337 16.2337 16.3656 16.3656 k = 0.0698 0.0403 0.0285 ( 2703 PWs) bands (ev): -36.6563 -36.6563 -15.6492 -15.6492 -15.1449 -15.1449 -15.1444 -15.1444 -1.9190 -1.9190 -1.9185 -1.9185 -1.0887 -1.0887 -1.0723 -1.0723 -1.0710 -1.0710 3.6874 3.6874 9.0102 9.0102 9.0135 9.0135 9.0888 9.0888 9.1791 9.1791 9.1918 9.1918 9.8870 9.8870 9.8914 9.8914 10.0333 10.0333 10.2733 10.2733 10.2761 10.2761 12.4292 12.4292 12.6968 12.6968 12.7181 12.7181 14.6738 14.6738 14.6970 14.6970 15.7699 15.7699 16.2625 16.2625 16.4170 16.4170 k = 0.0814 0.0470 0.0332 ( 2703 PWs) bands (ev): -36.6563 -36.6563 -15.6493 -15.6493 -15.1451 -15.1451 -15.1445 -15.1445 -1.9187 -1.9187 -1.9182 -1.9182 -1.0884 -1.0884 -1.0722 -1.0722 -1.0704 -1.0704 3.7085 3.7085 9.0052 9.0052 9.0105 9.0105 9.0831 9.0831 9.1870 9.1870 9.2016 9.2016 9.8849 9.8849 9.8908 9.8908 10.0318 10.0318 10.2657 10.2657 10.2696 10.2696 12.3402 12.3402 12.6995 12.6995 12.7222 12.7222 14.6330 14.6330 14.6605 14.6605 15.7090 15.7090 16.3083 16.3083 16.4749 16.4749 k = 0.0930 0.0537 0.0380 ( 2697 PWs) bands (ev): -36.6562 -36.6562 -15.6494 -15.6494 -15.1453 -15.1453 -15.1445 -15.1445 -1.9184 -1.9184 -1.9177 -1.9177 -1.0880 -1.0880 -1.0720 -1.0720 -1.0697 -1.0697 3.7329 3.7329 8.9997 8.9997 9.0075 9.0075 9.0774 9.0774 9.1956 9.1956 9.2118 9.2118 9.8826 9.8826 9.8900 9.8900 10.0301 10.0301 10.2570 10.2570 10.2620 10.2620 12.2415 12.2415 12.7023 12.7023 12.7266 12.7266 14.5915 14.5915 14.6225 14.6225 15.6425 15.6425 16.3657 16.3657 16.5378 16.5378 k = 0.1047 0.0604 0.0427 ( 2697 PWs) bands (ev): -36.6562 -36.6562 -15.6496 -15.6496 -15.1456 -15.1456 -15.1446 -15.1446 -1.9181 -1.9181 -1.9173 -1.9173 -1.0876 -1.0876 -1.0719 -1.0719 -1.0689 -1.0689 3.7605 3.7605 8.9934 8.9934 9.0047 9.0047 9.0719 9.0719 9.2048 9.2048 9.2223 9.2223 9.8799 9.8799 9.8889 9.8889 10.0281 10.0281 10.2472 10.2472 10.2537 10.2537 12.1346 12.1346 12.7051 12.7051 12.7312 12.7312 14.5501 14.5501 14.5838 14.5838 15.5741 15.5741 16.4307 16.4307 16.6039 16.6039 k = 0.1163 0.0671 0.0475 ( 2698 PWs) bands (ev): -36.6562 -36.6562 -15.6497 -15.6497 -15.1459 -15.1459 -15.1446 -15.1446 -1.9178 -1.9178 -1.9168 -1.9168 -1.0872 -1.0872 -1.0717 -1.0717 -1.0681 -1.0681 3.7913 3.7913 8.9862 8.9862 9.0022 9.0022 9.0667 9.0667 9.2144 9.2144 9.2332 9.2332 9.8768 9.8768 9.8875 9.8875 10.0258 10.0258 10.2365 10.2365 10.2444 10.2444 12.0206 12.0206 12.7076 12.7076 12.7357 12.7357 14.5098 14.5098 14.5454 14.5454 15.5063 15.5063 16.5008 16.5008 16.6709 16.6709 k = 0.1279 0.0738 0.0522 ( 2698 PWs) bands (ev): -36.6562 -36.6562 -15.6499 -15.6499 -15.1463 -15.1463 -15.1447 -15.1447 -1.9175 -1.9175 -1.9163 -1.9163 -1.0868 -1.0868 -1.0715 -1.0715 -1.0672 -1.0672 3.8252 3.8252 8.9781 8.9781 8.9999 8.9999 9.0620 9.0620 9.2244 9.2244 9.2442 9.2442 9.8734 9.8734 9.8860 9.8860 10.0232 10.0232 10.2248 10.2248 10.2345 10.2345 11.9009 11.9009 12.7097 12.7097 12.7399 12.7399 14.4713 14.4713 14.5080 14.5080 15.4404 15.4404 16.5742 16.5742 16.7356 16.7356 k = 0.1395 0.0806 0.0570 ( 2698 PWs) bands (ev): -36.6562 -36.6562 -15.6501 -15.6501 -15.1467 -15.1467 -15.1448 -15.1448 -1.9171 -1.9171 -1.9158 -1.9158 -1.0863 -1.0863 -1.0713 -1.0713 -1.0662 -1.0662 3.8623 3.8623 8.9687 8.9687 8.9980 8.9980 9.0579 9.0579 9.2347 9.2347 9.2554 9.2554 9.8697 9.8697 9.8841 9.8841 10.0203 10.0203 10.2123 10.2123 10.2237 10.2237 11.7766 11.7766 12.7112 12.7112 12.7437 12.7437 14.4352 14.4352 14.4724 14.4724 15.3770 15.3770 16.6497 16.6497 16.7936 16.7936 k = 0.1512 0.0873 0.0617 ( 2698 PWs) bands (ev): -36.6561 -36.6561 -15.6504 -15.6504 -15.1470 -15.1470 -15.1449 -15.1449 -1.9168 -1.9168 -1.9152 -1.9152 -1.0858 -1.0858 -1.0711 -1.0711 -1.0652 -1.0652 3.9025 3.9025 8.9579 8.9579 8.9966 8.9966 9.0544 9.0544 9.2453 9.2453 9.2667 9.2667 9.8657 9.8657 9.8818 9.8818 10.0170 10.0170 10.1988 10.1988 10.2123 10.2123 11.6490 11.6490 12.7120 12.7120 12.7469 12.7469 14.4021 14.4021 14.4391 14.4391 15.3166 15.3166 16.7264 16.7264 16.8392 16.8392 k = 0.1628 0.0940 0.0665 ( 2692 PWs) bands (ev): -36.6561 -36.6561 -15.6506 -15.6506 -15.1474 -15.1474 -15.1450 -15.1450 -1.9164 -1.9164 -1.9145 -1.9145 -1.0852 -1.0852 -1.0708 -1.0708 -1.0641 -1.0641 3.9457 3.9457 8.9456 8.9456 8.9955 8.9955 9.0519 9.0519 9.2561 9.2561 9.2781 9.2781 9.8614 9.8614 9.8793 9.8793 10.0134 10.0134 10.1846 10.1846 10.2003 10.2003 11.5192 11.5192 12.7117 12.7117 12.7492 12.7492 14.3724 14.3724 14.4087 14.4087 15.2593 15.2593 16.8034 16.8034 16.8653 16.8653 k = 0.1744 0.1007 0.0712 ( 2683 PWs) bands (ev): -36.6561 -36.6561 -15.6508 -15.6508 -15.1478 -15.1478 -15.1451 -15.1451 -1.9158 -1.9158 -1.9137 -1.9137 -1.0846 -1.0846 -1.0704 -1.0704 -1.0629 -1.0629 3.9920 3.9920 8.9313 8.9313 8.9949 8.9949 9.0502 9.0502 9.2671 9.2671 9.2896 9.2896 9.8568 9.8568 9.8763 9.8763 10.0094 10.0094 10.1697 10.1697 10.1877 10.1877 11.3881 11.3881 12.7104 12.7104 12.7504 12.7504 14.3466 14.3466 14.3817 14.3817 15.2053 15.2053 16.8653 16.8653 16.8805 16.8805 k = 0.1860 0.1074 0.0760 ( 2677 PWs) bands (ev): -36.6561 -36.6561 -15.6510 -15.6510 -15.1483 -15.1483 -15.1452 -15.1452 -1.9154 -1.9154 -1.9130 -1.9130 -1.0839 -1.0839 -1.0700 -1.0700 -1.0616 -1.0616 4.0414 4.0414 8.9150 8.9150 8.9947 8.9947 9.0494 9.0494 9.2782 9.2782 9.3010 9.3010 9.8518 9.8518 9.8730 9.8730 10.0048 10.0048 10.1541 10.1541 10.1746 10.1746 11.2568 11.2568 12.7078 12.7078 12.7505 12.7505 14.3249 14.3249 14.3585 14.3585 15.1543 15.1543 16.8378 16.8378 16.9559 16.9559 k = 0.1977 0.1141 0.0807 ( 2677 PWs) bands (ev): -36.6560 -36.6560 -15.6513 -15.6513 -15.1487 -15.1487 -15.1453 -15.1453 -1.9149 -1.9149 -1.9123 -1.9123 -1.0834 -1.0834 -1.0698 -1.0698 -1.0604 -1.0604 4.0937 4.0937 8.8961 8.8961 8.9951 8.9951 9.0495 9.0495 9.2893 9.2893 9.3123 9.3123 9.8465 9.8465 9.8692 9.8692 9.9997 9.9997 10.1379 10.1379 10.1611 10.1611 11.1264 11.1264 12.7038 12.7038 12.7491 12.7491 14.3076 14.3076 14.3393 14.3393 15.1065 15.1065 16.7847 16.7847 17.0297 17.0297 k = 0.2093 0.1208 0.0854 ( 2677 PWs) bands (ev): -36.6560 -36.6560 -15.6515 -15.6515 -15.1492 -15.1492 -15.1454 -15.1454 -1.9144 -1.9144 -1.9116 -1.9116 -1.0828 -1.0828 -1.0695 -1.0695 -1.0592 -1.0592 4.1489 4.1489 8.8745 8.8745 8.9958 8.9958 9.0505 9.0505 9.3005 9.3005 9.3235 9.3235 9.8408 9.8408 9.8649 9.8649 9.9939 9.9939 10.1210 10.1210 10.1472 10.1472 10.9979 10.9979 12.6983 12.6983 12.7462 12.7462 14.2948 14.2948 14.3245 14.3245 15.0616 15.0616 16.7121 16.7121 17.1011 17.1011 k = 0.2209 0.1276 0.0902 ( 2683 PWs) bands (ev): -36.6560 -36.6560 -15.6518 -15.6518 -15.1497 -15.1497 -15.1455 -15.1455 -1.9140 -1.9140 -1.9110 -1.9110 -1.0822 -1.0822 -1.0693 -1.0693 -1.0580 -1.0580 4.2070 4.2070 8.8497 8.8497 8.9971 8.9971 9.0524 9.0524 9.3117 9.3117 9.3346 9.3346 9.8349 9.8349 9.8601 9.8601 9.9874 9.9874 10.1036 10.1036 10.1331 10.1331 10.8726 10.8726 12.6914 12.6914 12.7417 12.7417 14.2866 14.2866 14.3143 14.3143 15.0195 15.0195 16.6263 16.6263 17.1688 17.1688 k = 0.2326 0.1343 0.0949 ( 2683 PWs) bands (ev): -36.6559 -36.6559 -15.6521 -15.6521 -15.1502 -15.1502 -15.1456 -15.1456 -1.9135 -1.9135 -1.9103 -1.9103 -1.0816 -1.0816 -1.0690 -1.0690 -1.0567 -1.0567 4.2679 4.2679 8.8212 8.8212 8.9987 8.9987 9.0550 9.0550 9.3230 9.3230 9.3454 9.3454 9.8286 9.8286 9.8548 9.8548 9.9801 9.9801 10.0856 10.0856 10.1187 10.1187 10.7519 10.7519 12.6830 12.6830 12.7356 12.7356 14.2832 14.2832 14.3087 14.3087 14.9802 14.9802 16.5322 16.5322 17.2316 17.2316 k = 0.2442 0.1410 0.0997 ( 2677 PWs) bands (ev): -36.6559 -36.6559 -15.6523 -15.6523 -15.1507 -15.1507 -15.1457 -15.1457 -1.9130 -1.9130 -1.9095 -1.9095 -1.0809 -1.0809 -1.0686 -1.0686 -1.0553 -1.0553 4.3315 4.3315 8.7883 8.7883 9.0009 9.0009 9.0585 9.0585 9.3342 9.3342 9.3560 9.3560 9.8220 9.8220 9.8489 9.8489 9.9718 9.9718 10.0670 10.0670 10.1042 10.1042 10.6370 10.6370 12.6733 12.6733 12.7279 12.7279 14.2843 14.2843 14.3078 14.3078 14.9434 14.9434 16.4336 16.4336 17.2875 17.2875 k = 0.2558 0.1477 0.1044 ( 2671 PWs) bands (ev): -36.6559 -36.6559 -15.6526 -15.6526 -15.1511 -15.1511 -15.1458 -15.1458 -1.9125 -1.9125 -1.9087 -1.9087 -1.0802 -1.0802 -1.0683 -1.0683 -1.0540 -1.0540 4.3979 4.3979 8.7505 8.7505 9.0035 9.0035 9.0627 9.0627 9.3455 9.3455 9.3664 9.3664 9.8151 9.8151 9.8423 9.8423 9.9625 9.9625 10.0475 10.0475 10.0896 10.0896 10.5297 10.5297 12.6622 12.6622 12.7187 12.7187 14.2901 14.2901 14.3116 14.3116 14.9091 14.9091 16.3330 16.3330 17.3335 17.3335 k = 0.2674 0.1544 0.1092 ( 2668 PWs) bands (ev): -36.6558 -36.6558 -15.6529 -15.6529 -15.1516 -15.1516 -15.1460 -15.1460 -1.9120 -1.9120 -1.9079 -1.9079 -1.0796 -1.0796 -1.0679 -1.0679 -1.0526 -1.0526 4.4668 4.4668 8.7071 8.7071 9.0065 9.0065 9.0677 9.0677 9.3567 9.3567 9.3763 9.3763 9.8079 9.8079 9.8347 9.8347 9.9520 9.9520 10.0268 10.0268 10.0750 10.0750 10.4316 10.4316 12.6500 12.6500 12.7080 12.7080 14.3002 14.3002 14.3199 14.3199 14.8772 14.8772 16.2322 16.2322 17.3649 17.3649 k = 0.2791 0.1611 0.1139 ( 2668 PWs) bands (ev): -36.6558 -36.6558 -15.6531 -15.6531 -15.1521 -15.1521 -15.1461 -15.1461 -1.9115 -1.9115 -1.9072 -1.9072 -1.0790 -1.0790 -1.0676 -1.0676 -1.0513 -1.0513 4.5383 4.5383 8.6574 8.6574 9.0098 9.0098 9.0733 9.0733 9.3678 9.3678 9.3858 9.3858 9.8003 9.8003 9.8259 9.8259 9.9404 9.9404 10.0043 10.0043 10.0605 10.0605 10.3445 10.3445 12.6368 12.6368 12.6962 12.6962 14.3144 14.3144 14.3325 14.3325 14.8475 14.8475 16.1325 16.1325 17.3761 17.3761 k = 0.2907 0.1678 0.1187 ( 2674 PWs) bands (ev): -36.6558 -36.6558 -15.6534 -15.6534 -15.1526 -15.1526 -15.1462 -15.1462 -1.9110 -1.9110 -1.9066 -1.9066 -1.0784 -1.0784 -1.0674 -1.0674 -1.0501 -1.0501 4.6122 4.6122 8.6010 8.6010 9.0135 9.0135 9.0796 9.0796 9.3788 9.3788 9.3947 9.3947 9.7925 9.7925 9.8154 9.8154 9.9276 9.9276 9.9799 9.9799 10.0461 10.0461 10.2702 10.2702 12.6229 12.6229 12.6832 12.6832 14.3324 14.3324 14.3491 14.3491 14.8199 14.8199 16.0347 16.0347 17.3628 17.3628 k = 0.3023 0.1745 0.1234 ( 2674 PWs) bands (ev): -36.6557 -36.6557 -15.6537 -15.6537 -15.1531 -15.1531 -15.1463 -15.1463 -1.9106 -1.9106 -1.9059 -1.9059 -1.0779 -1.0779 -1.0671 -1.0671 -1.0489 -1.0489 4.6883 4.6883 8.5373 8.5373 9.0175 9.0175 9.0864 9.0864 9.3898 9.3898 9.4030 9.4030 9.7843 9.7843 9.8029 9.8029 9.9138 9.9138 9.9536 9.9536 10.0320 10.0320 10.2100 10.2100 12.6084 12.6084 12.6695 12.6695 14.3541 14.3541 14.3696 14.3696 14.7944 14.7944 15.9397 15.9397 17.3264 17.3264 k = 0.3140 0.1813 0.1282 ( 2668 PWs) bands (ev): -36.6557 -36.6557 -15.6539 -15.6539 -15.1535 -15.1535 -15.1464 -15.1464 -1.9100 -1.9100 -1.9052 -1.9052 -1.0772 -1.0772 -1.0667 -1.0667 -1.0476 -1.0476 4.7667 4.7667 8.4665 8.4665 9.0217 9.0217 9.0938 9.0938 9.4007 9.4007 9.4107 9.4107 9.7759 9.7759 9.7875 9.7875 9.8992 9.8992 9.9267 9.9267 10.0182 10.0182 10.1634 10.1634 12.5936 12.5936 12.6552 12.6552 14.3790 14.3790 14.3935 14.3935 14.7708 14.7708 15.8481 15.8481 17.2729 17.2729 k = 0.3256 0.1880 0.1329 ( 2668 PWs) bands (ev): -36.6557 -36.6557 -15.6542 -15.6542 -15.1539 -15.1539 -15.1465 -15.1465 -1.9096 -1.9096 -1.9046 -1.9046 -1.0767 -1.0767 -1.0663 -1.0663 -1.0464 -1.0464 4.8470 4.8470 8.3887 8.3887 9.0262 9.0262 9.1016 9.1016 9.4114 9.4114 9.4175 9.4175 9.7672 9.7672 9.7691 9.7691 9.8838 9.8838 9.9018 9.9018 10.0048 10.0048 10.1285 10.1285 12.5786 12.5786 12.6405 12.6405 14.4068 14.4068 14.4205 14.4205 14.7490 14.7490 15.7602 15.7602 17.2088 17.2088 k = 0.3372 0.1947 0.1377 ( 2665 PWs) bands (ev): -36.6557 -36.6557 -15.6544 -15.6544 -15.1544 -15.1544 -15.1466 -15.1466 -1.9092 -1.9092 -1.9039 -1.9039 -1.0762 -1.0762 -1.0659 -1.0659 -1.0453 -1.0453 4.9291 4.9291 8.3046 8.3046 9.0308 9.0308 9.1098 9.1098 9.4221 9.4221 9.4235 9.4235 9.7485 9.7485 9.7582 9.7582 9.8672 9.8672 9.8811 9.8811 9.9919 9.9919 10.1023 10.1023 12.5636 12.5636 12.6256 12.6256 14.4371 14.4371 14.4502 14.4502 14.7291 14.7291 15.6765 15.6765 17.1390 17.1390 k = 0.3488 0.2014 0.1424 ( 2677 PWs) bands (ev): -36.6556 -36.6556 -15.6547 -15.6547 -15.1548 -15.1548 -15.1467 -15.1467 -1.9089 -1.9089 -1.9034 -1.9034 -1.0759 -1.0759 -1.0657 -1.0657 -1.0444 -1.0444 5.0128 5.0128 8.2148 8.2148 9.0354 9.0354 9.1183 9.1183 9.4283 9.4283 9.4326 9.4326 9.7272 9.7272 9.7489 9.7489 9.8492 9.8492 9.8653 9.8653 9.9795 9.9795 10.0825 10.0825 12.5489 12.5489 12.6108 12.6108 14.4694 14.4694 14.4821 14.4821 14.7109 14.7109 15.5973 15.5973 17.0666 17.0666 k = 0.3605 0.2081 0.1472 ( 2680 PWs) bands (ev): -36.6556 -36.6556 -15.6549 -15.6549 -15.1552 -15.1552 -15.1468 -15.1468 -1.9086 -1.9086 -1.9029 -1.9029 -1.0755 -1.0755 -1.0654 -1.0654 -1.0434 -1.0434 5.0978 5.0978 8.1204 8.1204 9.0402 9.0402 9.1271 9.1271 9.4321 9.4321 9.4430 9.4430 9.7072 9.7072 9.7394 9.7394 9.8311 9.8311 9.8529 9.8529 9.9678 9.9678 10.0670 10.0670 12.5346 12.5346 12.5963 12.5963 14.5033 14.5033 14.5158 14.5158 14.6943 14.6943 15.5228 15.5228 16.9937 16.9937 k = 0.3721 0.2148 0.1519 ( 2674 PWs) bands (ev): -36.6556 -36.6556 -15.6551 -15.6551 -15.1555 -15.1555 -15.1469 -15.1469 -1.9082 -1.9082 -1.9022 -1.9022 -1.0750 -1.0750 -1.0650 -1.0650 -1.0424 -1.0424 5.1837 5.1837 8.0227 8.0227 9.0449 9.0449 9.1360 9.1360 9.4349 9.4349 9.4532 9.4532 9.6897 9.6897 9.7298 9.7298 9.8134 9.8134 9.8427 9.8427 9.9568 9.9568 10.0546 10.0546 12.5210 12.5210 12.5824 12.5824 14.5383 14.5383 14.5508 14.5508 14.6796 14.6796 15.4535 15.4535 16.9216 16.9216 k = 0.3837 0.2215 0.1567 ( 2674 PWs) bands (ev): -36.6556 -36.6556 -15.6553 -15.6553 -15.1559 -15.1559 -15.1470 -15.1470 -1.9079 -1.9079 -1.9017 -1.9017 -1.0746 -1.0746 -1.0648 -1.0648 -1.0415 -1.0415 5.2702 5.2702 7.9228 7.9228 9.0495 9.0495 9.1449 9.1449 9.4365 9.4365 9.4633 9.4633 9.6756 9.6756 9.7201 9.7201 9.7961 9.7961 9.8340 9.8340 9.9465 9.9465 10.0444 10.0444 12.5081 12.5081 12.5690 12.5690 14.5736 14.5736 14.5866 14.5866 14.6665 14.6665 15.3894 15.3894 16.8514 16.8514 k = 0.3953 0.2283 0.1614 ( 2674 PWs) bands (ev): -36.6555 -36.6555 -15.6554 -15.6554 -15.1562 -15.1562 -15.1471 -15.1471 -1.9076 -1.9076 -1.9012 -1.9012 -1.0743 -1.0743 -1.0645 -1.0645 -1.0406 -1.0406 5.3566 5.3566 7.8221 7.8221 9.0540 9.0540 9.1537 9.1537 9.4373 9.4373 9.4732 9.4732 9.6649 9.6649 9.7104 9.7104 9.7794 9.7794 9.8265 9.8265 9.9370 9.9370 10.0359 10.0359 12.4960 12.4960 12.5565 12.5565 14.6079 14.6079 14.6225 14.6225 14.6560 14.6560 15.3307 15.3307 16.7841 16.7841 k = 0.4070 0.2350 0.1661 ( 2671 PWs) bands (ev): -36.6555 -36.6555 -15.6556 -15.6556 -15.1565 -15.1565 -15.1471 -15.1471 -1.9072 -1.9072 -1.9009 -1.9009 -1.0738 -1.0738 -1.0643 -1.0643 -1.0399 -1.0399 5.4422 5.4422 7.7220 7.7220 9.0582 9.0582 9.1622 9.1622 9.4373 9.4373 9.4830 9.4830 9.6575 9.6575 9.7007 9.7007 9.7634 9.7634 9.8199 9.8199 9.9285 9.9285 10.0288 10.0288 12.4850 12.4850 12.5451 12.5451 14.6323 14.6323 14.6563 14.6563 14.6578 14.6578 15.2777 15.2777 16.7205 16.7205 k = 0.4186 0.2417 0.1709 ( 2671 PWs) bands (ev): -36.6555 -36.6555 -15.6557 -15.6557 -15.1567 -15.1567 -15.1472 -15.1472 -1.9070 -1.9070 -1.9005 -1.9005 -1.0736 -1.0736 -1.0641 -1.0641 -1.0392 -1.0392 5.5261 5.5261 7.6241 7.6241 9.0622 9.0622 9.1703 9.1703 9.4367 9.4367 9.4923 9.4923 9.6529 9.6529 9.6911 9.6911 9.7481 9.7481 9.8142 9.8142 9.9208 9.9208 10.0227 10.0227 12.4750 12.4750 12.5346 12.5346 14.6302 14.6302 14.6832 14.6832 14.6919 14.6919 15.2306 15.2306 16.6613 16.6613 k = 0.4302 0.2484 0.1756 ( 2665 PWs) bands (ev): -36.6555 -36.6555 -15.6559 -15.6559 -15.1569 -15.1569 -15.1472 -15.1472 -1.9067 -1.9067 -1.9001 -1.9001 -1.0733 -1.0733 -1.0639 -1.0639 -1.0385 -1.0385 5.6071 5.6071 7.5301 7.5301 9.0657 9.0657 9.1779 9.1779 9.4358 9.4358 9.5013 9.5013 9.6507 9.6507 9.6819 9.6819 9.7337 9.7337 9.8092 9.8092 9.9141 9.9141 10.0177 10.0177 12.4662 12.4662 12.5254 12.5254 14.6234 14.6234 14.7140 14.7140 14.7241 14.7241 15.1894 15.1894 16.6074 16.6074 k = 0.4419 0.2551 0.1804 ( 2671 PWs) bands (ev): -36.6555 -36.6555 -15.6560 -15.6560 -15.1571 -15.1571 -15.1473 -15.1473 -1.9066 -1.9066 -1.8999 -1.8999 -1.0731 -1.0731 -1.0638 -1.0638 -1.0381 -1.0381 5.6833 5.6833 7.4422 7.4422 9.0689 9.0689 9.1846 9.1846 9.4347 9.4347 9.5096 9.5096 9.6505 9.6505 9.6732 9.6732 9.7203 9.7203 9.8048 9.8048 9.9084 9.9084 10.0135 10.0135 12.4586 12.4586 12.5174 12.5174 14.6172 14.6172 14.7426 14.7426 14.7533 14.7533 15.1543 15.1543 16.5598 16.5598 k = 0.4535 0.2618 0.1851 ( 2665 PWs) bands (ev): -36.6555 -36.6555 -15.6561 -15.6561 -15.1573 -15.1573 -15.1473 -15.1473 -1.9064 -1.9064 -1.8995 -1.8995 -1.0729 -1.0729 -1.0635 -1.0635 -1.0376 -1.0376 5.7526 5.7526 7.3630 7.3630 9.0715 9.0715 9.1904 9.1904 9.4337 9.4337 9.5172 9.5172 9.6519 9.6519 9.6652 9.6652 9.7081 9.7081 9.8013 9.8013 9.9037 9.9037 10.0102 10.0102 12.4523 12.4523 12.5107 12.5107 14.6121 14.6121 14.7678 14.7678 14.7788 14.7788 15.1254 15.1254 16.5192 16.5192 k = 0.4651 0.2685 0.1899 ( 2665 PWs) bands (ev): -36.6555 -36.6555 -15.6561 -15.6561 -15.1574 -15.1574 -15.1473 -15.1473 -1.9063 -1.9063 -1.8994 -1.8994 -1.0727 -1.0727 -1.0634 -1.0634 -1.0373 -1.0373 5.8122 5.8122 7.2954 7.2954 9.0737 9.0737 9.1952 9.1952 9.4329 9.4329 9.5238 9.5238 9.6547 9.6547 9.6583 9.6583 9.6970 9.6970 9.7984 9.7984 9.9000 9.9000 10.0076 10.0076 12.4474 12.4474 12.5055 12.5055 14.6081 14.6081 14.7886 14.7886 14.7998 14.7998 15.1028 15.1028 16.4865 16.4865 k = 0.4767 0.2752 0.1946 ( 2665 PWs) bands (ev): -36.6555 -36.6555 -15.6562 -15.6562 -15.1575 -15.1575 -15.1474 -15.1474 -1.9062 -1.9062 -1.8992 -1.8992 -1.0726 -1.0726 -1.0633 -1.0633 -1.0370 -1.0370 5.8585 5.8585 7.2432 7.2432 9.0752 9.0752 9.1987 9.1987 9.4322 9.4322 9.5289 9.5289 9.6529 9.6529 9.6586 9.6586 9.6873 9.6873 9.7963 9.7963 9.8973 9.8973 10.0057 10.0057 12.4439 12.4439 12.5017 12.5017 14.6052 14.6052 14.8040 14.8040 14.8154 14.8154 15.0866 15.0866 16.4625 16.4625 k = 0.4884 0.2820 0.1994 ( 2665 PWs) bands (ev): -36.6555 -36.6555 -15.6562 -15.6562 -15.1575 -15.1575 -15.1474 -15.1474 -1.9061 -1.9061 -1.8991 -1.8991 -1.0726 -1.0726 -1.0633 -1.0633 -1.0369 -1.0369 5.8882 5.8882 7.2099 7.2099 9.0761 9.0761 9.2008 9.2008 9.4318 9.4318 9.5322 9.5322 9.6494 9.6494 9.6633 9.6633 9.6790 9.6790 9.7951 9.7951 9.8957 9.8957 10.0046 10.0046 12.4417 12.4417 12.4995 12.4995 14.6035 14.6035 14.8136 14.8136 14.8250 14.8250 15.0768 15.0768 16.4478 16.4478 k = 0.5000 0.2887 0.2041 ( 2638 PWs) bands (ev): -36.6555 -36.6555 -15.6561 -15.6561 -15.1575 -15.1575 -15.1473 -15.1473 -1.9058 -1.9058 -1.8988 -1.8988 -1.0722 -1.0722 -1.0630 -1.0630 -1.0366 -1.0366 5.8985 5.8985 7.1985 7.1985 9.0766 9.0766 9.2017 9.2017 9.4318 9.4318 9.5335 9.5335 9.6482 9.6482 9.6670 9.6670 9.6745 9.6745 9.7948 9.7948 9.8953 9.8953 10.0043 10.0043 12.4410 12.4410 12.4987 12.4987 14.6030 14.6030 14.8169 14.8169 14.8284 14.8284 15.0736 15.0736 16.4430 16.4430 k = 0.5000 0.2887 0.2041 ( 2638 PWs) bands (ev): -36.6555 -36.6555 -15.6561 -15.6561 -15.1575 -15.1575 -15.1473 -15.1473 -1.9058 -1.9058 -1.8988 -1.8988 -1.0722 -1.0722 -1.0630 -1.0630 -1.0366 -1.0366 5.8985 5.8985 7.1985 7.1985 9.0766 9.0766 9.2017 9.2017 9.4318 9.4318 9.5335 9.5335 9.6482 9.6482 9.6670 9.6670 9.6745 9.6745 9.7948 9.7948 9.8953 9.8953 10.0043 10.0043 12.4410 12.4410 12.4987 12.4987 14.6030 14.6030 14.8169 14.8169 14.8284 14.8284 15.0736 15.0736 16.4430 16.4430 k = 0.5040 0.2770 0.2107 ( 2665 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1474 -15.1474 -1.9061 -1.9061 -1.8991 -1.8991 -1.0725 -1.0725 -1.0633 -1.0633 -1.0369 -1.0369 5.8993 5.8993 7.2000 7.2000 9.0762 9.0762 9.2011 9.2011 9.4313 9.4313 9.5333 9.5333 9.6447 9.6447 9.6676 9.6676 9.6777 9.6777 9.7948 9.7948 9.8953 9.8953 10.0045 10.0045 12.4374 12.4374 12.4952 12.4952 14.6003 14.6003 14.8143 14.8143 14.8261 14.8261 15.0841 15.0841 16.4376 16.4376 k = 0.5081 0.2654 0.2173 ( 2665 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1474 -15.1474 -1.9061 -1.9061 -1.8992 -1.8992 -1.0725 -1.0725 -1.0633 -1.0633 -1.0369 -1.0369 5.9019 5.9019 7.2046 7.2046 9.0754 9.0754 9.1997 9.1997 9.4303 9.4303 9.5329 9.5329 9.6374 9.6374 9.6690 9.6690 9.6853 9.6853 9.7953 9.7953 9.8955 9.8955 10.0051 10.0051 12.4251 12.4251 12.4864 12.4864 14.5923 14.5923 14.8062 14.8062 14.8214 14.8214 15.1142 15.1142 16.4212 16.4212 k = 0.5121 0.2538 0.2239 ( 2665 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1475 -15.1475 -1.9061 -1.9061 -1.8992 -1.8992 -1.0725 -1.0725 -1.0632 -1.0632 -1.0371 -1.0371 5.9061 5.9061 7.2121 7.2121 9.0739 9.0739 9.1976 9.1976 9.4286 9.4286 9.5323 9.5323 9.6291 9.6291 9.6710 9.6710 9.6944 9.6944 9.7962 9.7962 9.8958 9.8958 10.0061 10.0061 12.4008 12.4008 12.4763 12.4763 14.5785 14.5785 14.7943 14.7943 14.8158 14.8158 15.1603 15.1603 16.3931 16.3931 k = 0.5161 0.2421 0.2305 ( 2666 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1575 -15.1575 -15.1475 -15.1475 -1.9061 -1.9061 -1.8992 -1.8992 -1.0724 -1.0724 -1.0632 -1.0632 -1.0373 -1.0373 5.9120 5.9120 7.2227 7.2227 9.0713 9.0713 9.1951 9.1951 9.4263 9.4263 9.5314 9.5314 9.6210 9.6210 9.6736 9.6736 9.7037 9.7037 9.7975 9.7975 9.8963 9.8963 10.0075 10.0075 12.3632 12.3632 12.4672 12.4672 14.5580 14.5580 14.7817 14.7817 14.8090 14.8090 15.2194 15.2194 16.3545 16.3545 k = 0.5202 0.2305 0.2370 ( 2668 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1575 -15.1575 -15.1476 -15.1476 -1.9061 -1.9061 -1.8993 -1.8993 -1.0724 -1.0724 -1.0632 -1.0632 -1.0376 -1.0376 5.9195 5.9195 7.2363 7.2363 9.0671 9.0671 9.1927 9.1927 9.4235 9.4235 9.5302 9.5302 9.6132 9.6132 9.6768 9.6768 9.7129 9.7129 9.7992 9.7992 9.8971 9.8971 10.0092 10.0092 12.3138 12.3138 12.4588 12.4588 14.5302 14.5302 14.7706 14.7706 14.8010 14.8010 15.2890 15.2890 16.3083 16.3083 k = 0.5242 0.2188 0.2436 ( 2672 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1574 -15.1574 -15.1478 -15.1478 -1.9061 -1.9061 -1.8994 -1.8994 -1.0723 -1.0723 -1.0631 -1.0631 -1.0379 -1.0379 5.9287 5.9287 7.2528 7.2528 9.0609 9.0609 9.1908 9.1908 9.4201 9.4201 9.5287 9.5287 9.6062 9.6062 9.6806 9.6806 9.7215 9.7215 9.8015 9.8015 9.8981 9.8981 10.0114 10.0114 12.2550 12.2550 12.4501 12.4501 14.4947 14.4947 14.7622 14.7622 14.7917 14.7917 15.3670 15.3670 16.2577 16.2577 k = 0.5282 0.2072 0.2502 ( 2674 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1574 -15.1574 -15.1479 -15.1479 -1.9061 -1.9061 -1.8995 -1.8995 -1.0722 -1.0722 -1.0631 -1.0631 -1.0383 -1.0383 5.9396 5.9396 7.2721 7.2721 9.0521 9.0521 9.1900 9.1900 9.4162 9.4162 9.5269 9.5269 9.5999 9.5999 9.6848 9.6848 9.7295 9.7295 9.8044 9.8044 9.8994 9.8994 10.0139 10.0139 12.1885 12.1885 12.4409 12.4409 14.4514 14.4514 14.7566 14.7566 14.7815 14.7815 15.4516 15.4516 16.2052 16.2052 k = 0.5323 0.1956 0.2568 ( 2674 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1574 -15.1574 -15.1480 -15.1480 -1.9060 -1.9060 -1.8996 -1.8996 -1.0721 -1.0721 -1.0629 -1.0629 -1.0387 -1.0387 5.9520 5.9520 7.2943 7.2943 9.0404 9.0404 9.1906 9.1906 9.4119 9.4119 9.5247 9.5247 9.5945 9.5945 9.6895 9.6895 9.7366 9.7366 9.8079 9.8079 9.9012 9.9012 10.0168 10.0168 12.1160 12.1160 12.4306 12.4306 14.4008 14.4008 14.7532 14.7532 14.7711 14.7711 15.5407 15.5407 16.1534 16.1534 k = 0.5363 0.1839 0.2634 ( 2671 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1573 -15.1573 -15.1482 -15.1482 -1.9060 -1.9060 -1.8997 -1.8997 -1.0720 -1.0720 -1.0628 -1.0628 -1.0390 -1.0390 5.9660 5.9660 7.3192 7.3192 9.0255 9.0255 9.1928 9.1928 9.4072 9.4072 9.5222 9.5222 9.5903 9.5903 9.6944 9.6944 9.7427 9.7427 9.8121 9.8121 9.9035 9.9035 10.0200 10.0200 12.0386 12.0386 12.4194 12.4194 14.3439 14.3439 14.7488 14.7488 14.7637 14.7637 15.6316 15.6316 16.1049 16.1049 k = 0.5403 0.1723 0.2700 ( 2671 PWs) bands (ev): -36.6554 -36.6554 -15.6565 -15.6565 -15.1573 -15.1573 -15.1483 -15.1483 -1.9059 -1.9059 -1.8998 -1.8998 -1.0720 -1.0720 -1.0626 -1.0626 -1.0395 -1.0395 5.9816 5.9816 7.3467 7.3467 9.0074 9.0074 9.1967 9.1967 9.4022 9.4022 9.5192 9.5192 9.5871 9.5871 9.6995 9.6995 9.7480 9.7480 9.8168 9.8168 9.9063 9.9063 10.0235 10.0235 11.9577 11.9577 12.4069 12.4069 14.2815 14.2815 14.7393 14.7393 14.7632 14.7632 15.7194 15.7194 16.0643 16.0643 k = 0.5444 0.1606 0.2766 ( 2675 PWs) bands (ev): -36.6554 -36.6554 -15.6565 -15.6565 -15.1572 -15.1572 -15.1485 -15.1485 -1.9059 -1.9059 -1.9000 -1.9000 -1.0720 -1.0720 -1.0624 -1.0624 -1.0400 -1.0400 5.9987 5.9987 7.3766 7.3766 8.9863 8.9863 9.2020 9.2020 9.3969 9.3969 9.5157 9.5157 9.5850 9.5850 9.7046 9.7046 9.7526 9.7526 9.8218 9.8218 9.9096 9.9096 10.0274 10.0274 11.8740 11.8740 12.3932 12.3932 14.2147 14.2147 14.7270 14.7270 14.7671 14.7671 15.7923 15.7923 16.0425 16.0425 k = 0.5484 0.1490 0.2831 ( 2668 PWs) bands (ev): -36.6554 -36.6554 -15.6566 -15.6566 -15.1571 -15.1571 -15.1487 -15.1487 -1.9058 -1.9058 -1.9000 -1.9000 -1.0719 -1.0719 -1.0621 -1.0621 -1.0404 -1.0404 6.0173 6.0173 7.4090 7.4090 8.9623 8.9623 9.2087 9.2087 9.3914 9.3914 9.5119 9.5119 9.5841 9.5841 9.7096 9.7096 9.7566 9.7566 9.8270 9.8270 9.9136 9.9136 10.0316 10.0316 11.7888 11.7888 12.3784 12.3784 14.1443 14.1443 14.7141 14.7141 14.7734 14.7734 15.8270 15.8270 16.0606 16.0606 k = 0.5524 0.1374 0.2897 ( 2672 PWs) bands (ev): -36.6554 -36.6554 -15.6566 -15.6566 -15.1571 -15.1571 -15.1489 -15.1489 -1.9058 -1.9058 -1.9002 -1.9002 -1.0720 -1.0720 -1.0619 -1.0619 -1.0409 -1.0409 6.0373 6.0373 7.4436 7.4436 8.9356 8.9356 9.2165 9.2165 9.3856 9.3856 9.5078 9.5078 9.5842 9.5842 9.7143 9.7143 9.7605 9.7605 9.8322 9.8322 9.9181 9.9181 10.0362 10.0362 11.7024 11.7024 12.3623 12.3623 14.0714 14.0714 14.7011 14.7011 14.7814 14.7814 15.8181 15.8181 16.0206 16.0206 k = 0.5565 0.1257 0.2963 ( 2670 PWs) bands (ev): -36.6554 -36.6554 -15.6567 -15.6567 -15.1570 -15.1570 -15.1491 -15.1491 -1.9058 -1.9058 -1.9003 -1.9003 -1.0720 -1.0720 -1.0615 -1.0615 -1.0414 -1.0414 6.0586 6.0586 7.4803 7.4803 8.9064 8.9064 9.2252 9.2252 9.3798 9.3798 9.5034 9.5034 9.5852 9.5852 9.7186 9.7186 9.7644 9.7644 9.8374 9.8374 9.9231 9.9231 10.0410 10.0410 11.6159 11.6159 12.3450 12.3450 13.9968 13.9968 14.6885 14.6885 14.7907 14.7907 15.7886 15.7886 15.9739 15.9739 k = 0.5605 0.1141 0.3029 ( 2672 PWs) bands (ev): -36.6554 -36.6554 -15.6568 -15.6568 -15.1570 -15.1570 -15.1493 -15.1493 -1.9058 -1.9058 -1.9004 -1.9004 -1.0721 -1.0721 -1.0613 -1.0613 -1.0418 -1.0418 6.0812 6.0812 7.5188 7.5188 8.8749 8.8749 9.2348 9.2348 9.3739 9.3739 9.4990 9.4990 9.5870 9.5870 9.7224 9.7224 9.7686 9.7686 9.8424 9.8424 9.9283 9.9283 10.0462 10.0462 11.5297 11.5297 12.3266 12.3266 13.9214 13.9214 14.6765 14.6765 14.8012 14.8012 15.7525 15.7525 15.9274 15.9274 k = 0.5645 0.1024 0.3095 ( 2672 PWs) bands (ev): -36.6553 -36.6553 -15.6568 -15.6568 -15.1569 -15.1569 -15.1495 -15.1495 -1.9058 -1.9058 -1.9005 -1.9005 -1.0722 -1.0722 -1.0609 -1.0609 -1.0423 -1.0423 6.1049 6.1049 7.5588 7.5588 8.8413 8.8413 9.2450 9.2450 9.3680 9.3680 9.4944 9.4944 9.5896 9.5896 9.7255 9.7255 9.7732 9.7732 9.8475 9.8475 9.9337 9.9337 10.0517 10.0517 11.4445 11.4445 12.3070 12.3070 13.8459 13.8459 14.6654 14.6654 14.8126 14.8126 15.7147 15.7147 15.8811 15.8811 k = 0.5685 0.0908 0.3161 ( 2670 PWs) bands (ev): -36.6553 -36.6553 -15.6569 -15.6569 -15.1568 -15.1568 -15.1497 -15.1497 -1.9058 -1.9058 -1.9006 -1.9006 -1.0724 -1.0724 -1.0606 -1.0606 -1.0427 -1.0427 6.1298 6.1298 7.6002 7.6002 8.8057 8.8057 9.2556 9.2556 9.3624 9.3624 9.4899 9.4899 9.5928 9.5928 9.7281 9.7281 9.7784 9.7784 9.8526 9.8526 9.9390 9.9390 10.0575 10.0575 11.3609 11.3609 12.2865 12.2865 13.7709 13.7709 14.6554 14.6554 14.8249 14.8249 15.6767 15.6767 15.8353 15.8353 k = 0.5726 0.0792 0.3226 ( 2670 PWs) bands (ev): -36.6553 -36.6553 -15.6569 -15.6569 -15.1568 -15.1568 -15.1499 -15.1499 -1.9058 -1.9058 -1.9007 -1.9007 -1.0726 -1.0726 -1.0602 -1.0602 -1.0431 -1.0431 6.1556 6.1556 7.6426 7.6426 8.7685 8.7685 9.2664 9.2664 9.3570 9.3570 9.4856 9.4856 9.5966 9.5966 9.7300 9.7300 9.7841 9.7841 9.8579 9.8579 9.9441 9.9441 10.0634 10.0634 11.2794 11.2794 12.2649 12.2649 13.6969 13.6969 14.6467 14.6467 14.8378 14.8378 15.6393 15.6393 15.7899 15.7899 k = 0.5766 0.0675 0.3292 ( 2673 PWs) bands (ev): -36.6553 -36.6553 -15.6570 -15.6570 -15.1567 -15.1567 -15.1502 -15.1502 -1.9059 -1.9059 -1.9009 -1.9009 -1.0728 -1.0728 -1.0600 -1.0600 -1.0434 -1.0434 6.1822 6.1822 7.6854 7.6854 8.7301 8.7301 9.2770 9.2770 9.3522 9.3522 9.4814 9.4814 9.6008 9.6008 9.7314 9.7314 9.7904 9.7904 9.8634 9.8634 9.9488 9.9488 10.0694 10.0694 11.2007 11.2007 12.2424 12.2424 13.6246 13.6246 14.6394 14.6394 14.8513 14.8513 15.6029 15.6029 15.7451 15.7451 k = 0.5806 0.0559 0.3358 ( 2671 PWs) bands (ev): -36.6553 -36.6553 -15.6571 -15.6571 -15.1566 -15.1566 -15.1504 -15.1504 -1.9060 -1.9060 -1.9009 -1.9009 -1.0731 -1.0731 -1.0596 -1.0596 -1.0437 -1.0437 6.2095 6.2095 7.7282 7.7282 8.6908 8.6908 9.2871 9.2871 9.3483 9.3483 9.4775 9.4775 9.6055 9.6055 9.7324 9.7324 9.7972 9.7972 9.8694 9.8694 9.9530 9.9530 10.0754 10.0754 11.1252 11.1252 12.2191 12.2191 13.5542 13.5542 14.6337 14.6337 14.8651 14.8651 15.5675 15.5675 15.7009 15.7009 k = 0.5847 0.0442 0.3424 ( 2671 PWs) bands (ev): -36.6553 -36.6553 -15.6571 -15.6571 -15.1566 -15.1566 -15.1505 -15.1505 -1.9061 -1.9061 -1.9009 -1.9009 -1.0734 -1.0734 -1.0594 -1.0594 -1.0438 -1.0438 6.2371 6.2371 7.7703 7.7703 8.6513 8.6513 9.2958 9.2958 9.3460 9.3460 9.4741 9.4741 9.6104 9.6104 9.7332 9.7332 9.8044 9.8044 9.8759 9.8759 9.9567 9.9567 10.0811 10.0811 11.0536 11.0536 12.1951 12.1951 13.4861 13.4861 14.6297 14.6297 14.8790 14.8790 15.5334 15.5334 15.6572 15.6572 k = 0.5887 0.0326 0.3490 ( 2669 PWs) bands (ev): -36.6553 -36.6553 -15.6572 -15.6572 -15.1566 -15.1566 -15.1507 -15.1507 -1.9061 -1.9061 -1.9010 -1.9010 -1.0736 -1.0736 -1.0592 -1.0592 -1.0439 -1.0439 6.2650 6.2650 7.8108 7.8108 8.6125 8.6125 9.3021 9.3021 9.3462 9.3462 9.4712 9.4712 9.6156 9.6156 9.7338 9.7338 9.8121 9.8121 9.8830 9.8830 9.9598 9.9598 10.0863 10.0863 10.9864 10.9864 12.1704 12.1704 13.4204 13.4204 14.6275 14.6275 14.8930 14.8930 15.5007 15.5007 15.6143 15.6143 k = 0.5927 0.0210 0.3556 ( 2668 PWs) bands (ev): -36.6553 -36.6553 -15.6572 -15.6572 -15.1565 -15.1565 -15.1509 -15.1509 -1.9063 -1.9063 -1.9010 -1.9010 -1.0739 -1.0739 -1.0590 -1.0590 -1.0440 -1.0440 6.2928 6.2928 7.8484 7.8484 8.5756 8.5756 9.3053 9.3053 9.3494 9.3494 9.4689 9.4689 9.6209 9.6209 9.7342 9.7342 9.8204 9.8204 9.8908 9.8908 9.9623 9.9623 10.0906 10.0906 10.9244 10.9244 12.1453 12.1453 13.3576 13.3576 14.6271 14.6271 14.9066 14.9066 15.4697 15.4697 15.5720 15.5720 k = 0.5968 0.0093 0.3622 ( 2664 PWs) bands (ev): -36.6553 -36.6553 -15.6573 -15.6573 -15.1565 -15.1565 -15.1510 -15.1510 -1.9064 -1.9064 -1.9010 -1.9010 -1.0742 -1.0742 -1.0589 -1.0589 -1.0439 -1.0439 6.3201 6.3201 7.8817 7.8817 8.5421 8.5421 9.3057 9.3057 9.3551 9.3551 9.4676 9.4676 9.6262 9.6262 9.7345 9.7345 9.8294 9.8294 9.8992 9.8992 9.9644 9.9644 10.0938 10.0938 10.8680 10.8680 12.1199 12.1199 13.2975 13.2975 14.6285 14.6285 14.9196 14.9196 15.4407 15.4407 15.5306 15.5306 k = 0.6008-0.0023 0.3687 ( 2658 PWs) bands (ev): -36.6553 -36.6553 -15.6573 -15.6573 -15.1565 -15.1565 -15.1511 -15.1511 -1.9065 -1.9065 -1.9009 -1.9009 -1.0746 -1.0746 -1.0588 -1.0588 -1.0437 -1.0437 6.3466 6.3466 7.9087 7.9087 8.5142 8.5142 9.3047 9.3047 9.3619 9.3619 9.4673 9.4673 9.6315 9.6315 9.7348 9.7348 9.8391 9.8391 9.9083 9.9083 9.9659 9.9659 10.0954 10.0954 10.8179 10.8179 12.0941 12.0941 13.2404 13.2404 14.6319 14.6319 14.9315 14.9315 15.4142 15.4142 15.4899 15.4899 k = 0.6048-0.0140 0.3753 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6573 -15.6573 -15.1565 -15.1565 -15.1512 -15.1512 -1.9068 -1.9068 -1.9008 -1.9008 -1.0750 -1.0750 -1.0587 -1.0587 -1.0436 -1.0436 6.3717 6.3717 7.9274 7.9274 8.4940 8.4940 9.3031 9.3031 9.3684 9.3684 9.4683 9.4683 9.6363 9.6363 9.7351 9.7351 9.8497 9.8497 9.9180 9.9180 9.9672 9.9672 10.0952 10.0952 10.7748 10.7748 12.0682 12.0682 13.1863 13.1863 14.6371 14.6371 14.9420 14.9420 15.3905 15.3905 15.4502 15.4502 k = 0.6089-0.0256 0.3819 ( 2658 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1565 -15.1565 -15.1513 -15.1513 -1.9070 -1.9070 -1.9007 -1.9007 -1.0754 -1.0754 -1.0587 -1.0587 -1.0433 -1.0433 6.3950 6.3950 7.9360 7.9360 8.4837 8.4837 9.3016 9.3016 9.3740 9.3740 9.4708 9.4708 9.6408 9.6408 9.7354 9.7354 9.8611 9.8611 9.9284 9.9284 9.9685 9.9685 10.0930 10.0930 10.7391 10.7391 12.0423 12.0423 13.1350 13.1350 14.6442 14.6442 14.9503 14.9503 15.3704 15.3704 15.4115 15.4115 k = 0.6129-0.0372 0.3885 ( 2657 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1565 -15.1565 -15.1513 -15.1513 -1.9073 -1.9073 -1.9006 -1.9006 -1.0758 -1.0758 -1.0587 -1.0587 -1.0431 -1.0431 6.4157 6.4157 7.9340 7.9340 8.4842 8.4842 9.3005 9.3005 9.3782 9.3782 9.4747 9.4747 9.6445 9.6445 9.7358 9.7358 9.8732 9.8732 9.9393 9.9393 9.9700 9.9700 10.0888 10.0888 10.7111 10.7111 12.0166 12.0166 13.0867 13.0867 14.6531 14.6531 14.9561 14.9561 15.3544 15.3544 15.3739 15.3739 k = 0.6169-0.0489 0.3951 ( 2657 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1565 -15.1565 -15.1514 -15.1514 -1.9076 -1.9076 -1.9006 -1.9006 -1.0763 -1.0763 -1.0588 -1.0588 -1.0428 -1.0428 6.4331 6.4331 7.9223 7.9223 8.4952 8.4952 9.2999 9.2999 9.3810 9.3810 9.4799 9.4799 9.6474 9.6474 9.7362 9.7362 9.8853 9.8853 9.9502 9.9502 9.9728 9.9728 10.0831 10.0831 10.6909 10.6909 11.9910 11.9910 13.0413 13.0413 14.6638 14.6638 14.9588 14.9588 15.3372 15.3372 15.3435 15.3435 k = 0.6210-0.0605 0.4017 ( 2661 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1566 -15.1566 -15.1514 -15.1514 -1.9079 -1.9079 -1.9005 -1.9005 -1.0768 -1.0768 -1.0589 -1.0589 -1.0426 -1.0426 6.4463 6.4463 7.9033 7.9033 8.5149 8.5149 9.3001 9.3001 9.3825 9.3825 9.4860 9.4860 9.6494 9.6494 9.7366 9.7366 9.8966 9.8966 9.9601 9.9601 9.9782 9.9782 10.0770 10.0770 10.6785 10.6785 11.9659 11.9659 12.9986 12.9986 14.6761 14.6761 14.9581 14.9581 15.3022 15.3022 15.3374 15.3374 k = 0.6250-0.0722 0.4082 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1566 -15.1566 -15.1514 -15.1514 -1.9081 -1.9081 -1.9003 -1.9003 -1.0772 -1.0772 -1.0589 -1.0589 -1.0422 -1.0422 6.4545 6.4545 7.8801 7.8801 8.5411 8.5411 9.3012 9.3012 9.3830 9.3830 9.4926 9.4926 9.6503 9.6503 9.7370 9.7370 9.9055 9.9055 9.9687 9.9687 9.9867 9.9867 10.0729 10.0729 10.6734 10.6734 11.9412 11.9412 12.9585 12.9585 14.6901 14.6901 14.9541 14.9541 15.2685 15.2685 15.3367 15.3367 k = 0.6250-0.0722 0.4082 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1566 -15.1566 -15.1514 -15.1514 -1.9081 -1.9081 -1.9003 -1.9003 -1.0772 -1.0772 -1.0589 -1.0589 -1.0422 -1.0422 6.4545 6.4545 7.8801 7.8801 8.5411 8.5411 9.3012 9.3012 9.3830 9.3830 9.4926 9.4926 9.6503 9.6503 9.7370 9.7370 9.9055 9.9055 9.9687 9.9687 9.9867 9.9867 10.0729 10.0729 10.6734 10.6734 11.9412 11.9412 12.9585 12.9585 14.6901 14.6901 14.9541 14.9541 15.2685 15.2685 15.3367 15.3367 k = 0.6181-0.0682 0.4196 ( 2658 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1566 -15.1566 -15.1514 -15.1514 -1.9082 -1.9082 -1.9004 -1.9004 -1.0772 -1.0772 -1.0589 -1.0589 -1.0423 -1.0423 6.4550 6.4550 7.8811 7.8811 8.5401 8.5401 9.3009 9.3009 9.3837 9.3837 9.4936 9.4936 9.6503 9.6503 9.7369 9.7369 9.9032 9.9032 9.9652 9.9652 9.9915 9.9915 10.0742 10.0742 10.6734 10.6734 11.9262 11.9262 12.9721 12.9721 14.6881 14.6881 14.9541 14.9541 15.2499 15.2499 15.3545 15.3545 k = 0.6111-0.0642 0.4309 ( 2664 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1566 -15.1566 -15.1514 -15.1514 -1.9082 -1.9082 -1.9005 -1.9005 -1.0773 -1.0773 -1.0588 -1.0588 -1.0424 -1.0424 6.4565 6.4565 7.8843 7.8843 8.5371 8.5371 9.3002 9.3002 9.3859 9.3859 9.4966 9.4966 9.6503 9.6503 9.7366 9.7366 9.8964 9.8964 9.9602 9.9602 10.0003 10.0003 10.0785 10.0785 10.6736 10.6736 11.8836 11.8836 13.0105 13.0105 14.6822 14.6822 14.9542 14.9542 15.2154 15.2154 15.3868 15.3868 k = 0.6042-0.0601 0.4423 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1565 -15.1565 -15.1515 -15.1515 -1.9081 -1.9081 -1.9004 -1.9004 -1.0773 -1.0773 -1.0586 -1.0586 -1.0425 -1.0425 6.4590 6.4590 7.8896 7.8896 8.5319 8.5319 9.2991 9.2991 9.3893 9.3893 9.5017 9.5017 9.6505 9.6505 9.7361 9.7361 9.8863 9.8863 9.9568 9.9568 10.0087 10.0087 10.0860 10.0860 10.6740 10.6740 11.8192 11.8192 13.0680 13.0680 14.6725 14.6725 14.9543 14.9543 15.1779 15.1779 15.4206 15.4206 k = 0.5972-0.0561 0.4536 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1565 -15.1565 -15.1515 -15.1515 -1.9080 -1.9080 -1.9005 -1.9005 -1.0772 -1.0772 -1.0584 -1.0584 -1.0427 -1.0427 6.4625 6.4625 7.8969 7.8969 8.5248 8.5248 9.2978 9.2978 9.3937 9.3937 9.5086 9.5086 9.6509 9.6509 9.7354 9.7354 9.8743 9.8743 9.9550 9.9550 10.0152 10.0152 10.0966 10.0966 10.6744 10.6744 11.7391 11.7391 13.1387 13.1387 14.6592 14.6592 14.9542 14.9542 15.1402 15.1402 15.4530 15.4530 k = 0.5903-0.0521 0.4649 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1565 -15.1565 -15.1516 -15.1516 -1.9078 -1.9078 -1.9006 -1.9006 -1.0773 -1.0773 -1.0581 -1.0581 -1.0430 -1.0430 6.4669 6.4669 7.9064 7.9064 8.5157 8.5157 9.2963 9.2963 9.3988 9.3988 9.5169 9.5169 9.6517 9.6517 9.7345 9.7345 9.8615 9.8615 9.9543 9.9543 10.0199 10.0199 10.1099 10.1099 10.6750 10.6750 11.6488 11.6488 13.2174 13.2174 14.6424 14.6424 14.9540 14.9540 15.1035 15.1035 15.4830 15.4830 k = 0.5833-0.0481 0.4763 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1564 -15.1564 -15.1516 -15.1516 -1.9077 -1.9077 -1.9007 -1.9007 -1.0772 -1.0772 -1.0577 -1.0577 -1.0433 -1.0433 6.4721 6.4721 7.9179 7.9179 8.5045 8.5045 9.2949 9.2949 9.4045 9.4045 9.5262 9.5262 9.6532 9.6532 9.7334 9.7334 9.8488 9.8488 9.9544 9.9544 10.0230 10.0230 10.1249 10.1249 10.6758 10.6758 11.5522 11.5522 13.3005 13.3005 14.6222 14.6222 14.9535 14.9535 15.0682 15.0682 15.5101 15.5101 k = 0.5764-0.0441 0.4876 ( 2662 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1564 -15.1564 -15.1517 -15.1517 -1.9075 -1.9075 -1.9008 -1.9008 -1.0773 -1.0773 -1.0573 -1.0573 -1.0437 -1.0437 6.4780 6.4780 7.9315 7.9315 8.4912 8.4912 9.2934 9.2934 9.4106 9.4106 9.5355 9.5355 9.6559 9.6559 9.7321 9.7321 9.8369 9.8369 9.9551 9.9551 10.0252 10.0252 10.1410 10.1410 10.6767 10.6767 11.4524 11.4524 13.3854 13.3854 14.5989 14.5989 14.9527 14.9527 15.0349 15.0349 15.5340 15.5340 k = 0.5694-0.0401 0.4990 ( 2663 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1563 -15.1563 -15.1518 -15.1518 -1.9074 -1.9074 -1.9010 -1.9010 -1.0773 -1.0773 -1.0568 -1.0568 -1.0442 -1.0442 6.4847 6.4847 7.9471 7.9471 8.4759 8.4759 9.2921 9.2921 9.4170 9.4170 9.5438 9.5438 9.6603 9.6603 9.7308 9.7308 9.8261 9.8261 9.9563 9.9563 10.0270 10.0270 10.1574 10.1574 10.6777 10.6777 11.3516 11.3516 13.4705 13.4705 14.5726 14.5726 14.9514 14.9514 15.0038 15.0038 15.5547 15.5547 k = 0.5625-0.0361 0.5103 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1563 -15.1563 -15.1519 -15.1519 -1.9072 -1.9072 -1.9012 -1.9012 -1.0773 -1.0773 -1.0563 -1.0563 -1.0447 -1.0447 6.4918 6.4918 7.9647 7.9647 8.4584 8.4584 9.2908 9.2908 9.4238 9.4238 9.5500 9.5500 9.6672 9.6672 9.7295 9.7295 9.8168 9.8168 9.9580 9.9580 10.0287 10.0287 10.1735 10.1735 10.6788 10.6788 11.2519 11.2519 13.5544 13.5544 14.5434 14.5434 14.9495 14.9495 14.9755 14.9755 15.5721 15.5721 k = 0.5556-0.0321 0.5217 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1562 -15.1562 -15.1520 -15.1520 -1.9070 -1.9070 -1.9013 -1.9013 -1.0773 -1.0773 -1.0558 -1.0558 -1.0452 -1.0452 6.4994 6.4994 7.9843 7.9843 8.4387 8.4387 9.2897 9.2897 9.4309 9.4309 9.5532 9.5532 9.6763 9.6763 9.7286 9.7286 9.8092 9.8092 9.9602 9.9602 10.0307 10.0307 10.1886 10.1886 10.6801 10.6801 11.1550 11.1550 13.6363 13.6363 14.5115 14.5115 14.9442 14.9442 14.9530 14.9530 15.5865 15.5865 k = 0.5486-0.0281 0.5330 ( 2664 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1561 -15.1561 -15.1521 -15.1521 -1.9067 -1.9067 -1.9014 -1.9014 -1.0773 -1.0773 -1.0551 -1.0551 -1.0458 -1.0458 6.5071 6.5071 8.0059 8.0059 8.4169 8.4169 9.2886 9.2886 9.4382 9.4382 9.5533 9.5533 9.6866 9.6866 9.7288 9.7288 9.8034 9.8034 9.9629 9.9629 10.0334 10.0334 10.2022 10.2022 10.6816 10.6816 11.0626 11.0626 13.7156 13.7156 14.4771 14.4771 14.9245 14.9245 14.9474 14.9474 15.5980 15.5980 k = 0.5417-0.0241 0.5443 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1560 -15.1560 -15.1523 -15.1523 -1.9065 -1.9065 -1.9016 -1.9016 -1.0772 -1.0772 -1.0545 -1.0545 -1.0464 -1.0464 6.5149 6.5149 8.0293 8.0293 8.3930 8.3930 9.2876 9.2876 9.4458 9.4458 9.5505 9.5505 9.6960 9.6960 9.7312 9.7312 9.7994 9.7994 9.9659 9.9659 10.0376 10.0376 10.2133 10.2133 10.6831 10.6831 10.9766 10.9766 13.7918 13.7918 14.4401 14.4401 14.9046 14.9046 14.9448 14.9448 15.6069 15.6069 k = 0.5347-0.0200 0.5557 ( 2668 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1560 -15.1560 -15.1524 -15.1524 -1.9063 -1.9063 -1.9018 -1.9018 -1.0773 -1.0773 -1.0539 -1.0539 -1.0470 -1.0470 6.5224 6.5224 8.0547 8.0547 8.3669 8.3669 9.2867 9.2867 9.4537 9.4537 9.5456 9.5456 9.7023 9.7023 9.7367 9.7367 9.7972 9.7972 9.9692 9.9692 10.0439 10.0439 10.2209 10.2209 10.6847 10.6847 10.8989 10.8989 13.8645 13.8645 14.4008 14.4008 14.8875 14.8875 14.9425 14.9425 15.6136 15.6136 k = 0.5278-0.0160 0.5670 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1559 -15.1559 -15.1525 -15.1525 -1.9061 -1.9061 -1.9020 -1.9020 -1.0772 -1.0772 -1.0532 -1.0532 -1.0477 -1.0477 6.5294 6.5294 8.0818 8.0818 8.3387 8.3387 9.2859 9.2859 9.4616 9.4616 9.5391 9.5391 9.7052 9.7052 9.7439 9.7439 9.7968 9.7968 9.9724 9.9724 10.0531 10.0531 10.2236 10.2236 10.6861 10.6861 10.8322 10.8322 13.9335 13.9335 14.3592 14.3592 14.8735 14.8735 14.9402 14.9402 15.6184 15.6184 k = 0.5208-0.0120 0.5784 ( 2678 PWs) bands (ev): -36.6552 -36.6552 -15.6577 -15.6577 -15.1559 -15.1559 -15.1526 -15.1526 -1.9060 -1.9060 -1.9022 -1.9022 -1.0773 -1.0773 -1.0526 -1.0526 -1.0485 -1.0485 6.5356 6.5356 8.1107 8.1107 8.3086 8.3086 9.2852 9.2852 9.4696 9.4696 9.5317 9.5317 9.7062 9.7062 9.7505 9.7505 9.7980 9.7980 9.9751 9.9751 10.0657 10.0657 10.2202 10.2202 10.6869 10.6869 10.7790 10.7790 13.9986 13.9986 14.3154 14.3154 14.8626 14.8626 14.9383 14.9383 15.6215 15.6215 k = 0.5139-0.0080 0.5897 ( 2674 PWs) bands (ev): -36.6552 -36.6552 -15.6577 -15.6577 -15.1558 -15.1558 -15.1526 -15.1526 -1.9059 -1.9059 -1.9022 -1.9022 -1.0773 -1.0773 -1.0518 -1.0518 -1.0491 -1.0491 6.5405 6.5405 8.1412 8.1412 8.2769 8.2769 9.2847 9.2847 9.4771 9.4771 9.5244 9.5244 9.7066 9.7066 9.7551 9.7551 9.7999 9.7999 9.9770 9.9770 10.0815 10.0815 10.2105 10.2105 10.6863 10.6863 10.7423 10.7423 14.0595 14.0595 14.2696 14.2696 14.8550 14.8550 14.9367 14.9367 15.6233 15.6233 k = 0.5069-0.0040 0.6010 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9056 -1.9056 -1.9022 -1.9022 -1.0771 -1.0771 -1.0510 -1.0510 -1.0495 -1.0495 6.5439 6.5439 8.1730 8.1730 8.2443 8.2443 9.2844 9.2844 9.4833 9.4833 9.5182 9.5182 9.7069 9.7069 9.7577 9.7577 9.8016 9.8016 9.9782 9.9782 10.0978 10.0978 10.1971 10.1971 10.6832 10.6832 10.7237 10.7237 14.1158 14.1158 14.2224 14.2224 14.8506 14.8506 14.9357 14.9357 15.6241 15.6241 k = 0.5000-0.0000 0.6124 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9055 -1.9055 -1.9022 -1.9022 -1.0771 -1.0771 -1.0504 -1.0504 -1.0501 -1.0501 6.5451 6.5451 8.1983 8.1983 8.2185 8.2185 9.2843 9.2843 9.4860 9.4860 9.5155 9.5155 9.7069 9.7069 9.7584 9.7584 9.8023 9.8023 9.9785 9.9785 10.1064 10.1064 10.1891 10.1891 10.6809 10.6809 10.7191 10.7191 14.1568 14.1568 14.1844 14.1844 14.8491 14.8491 14.9353 14.9353 15.6243 15.6243 k = 0.5000-0.0000 0.6124 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9055 -1.9055 -1.9022 -1.9022 -1.0771 -1.0771 -1.0504 -1.0504 -1.0501 -1.0501 6.5451 6.5451 8.1983 8.1983 8.2185 8.2185 9.2843 9.2843 9.4860 9.4860 9.5155 9.5155 9.7069 9.7069 9.7584 9.7584 9.8023 9.8023 9.9785 9.9785 10.1064 10.1064 10.1891 10.1891 10.6809 10.6809 10.7191 10.7191 14.1568 14.1568 14.1844 14.1844 14.8491 14.8491 14.9353 14.9353 15.6243 15.6243 k = 0.5000 0.0082 0.6007 ( 2660 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1558 -15.1558 -15.1526 -15.1526 -1.9055 -1.9055 -1.9022 -1.9022 -1.0771 -1.0771 -1.0507 -1.0507 -1.0500 -1.0500 6.5429 6.5429 8.1979 8.1979 8.2193 8.2193 9.2844 9.2844 9.4860 9.4860 9.5154 9.5154 9.7060 9.7060 9.7570 9.7570 9.8006 9.8006 9.9779 9.9779 10.1038 10.1038 10.1882 10.1882 10.6871 10.6871 10.7261 10.7261 14.1558 14.1558 14.1835 14.1835 14.8522 14.8522 14.9363 14.9363 15.6249 15.6249 k = 0.5000 0.0165 0.5890 ( 2672 PWs) bands (ev): -36.6552 -36.6552 -15.6577 -15.6577 -15.1558 -15.1558 -15.1526 -15.1526 -1.9056 -1.9056 -1.9024 -1.9024 -1.0772 -1.0772 -1.0512 -1.0512 -1.0497 -1.0497 6.5365 6.5365 8.1936 8.1936 8.2247 8.2247 9.2846 9.2846 9.4863 9.4863 9.5150 9.5150 9.7031 9.7031 9.7526 9.7526 9.7964 9.7964 9.9762 9.9762 10.0968 10.0968 10.1853 10.1853 10.7017 10.7017 10.7496 10.7496 14.1513 14.1513 14.1829 14.1829 14.8607 14.8607 14.9399 14.9399 15.6267 15.6267 k = 0.5000 0.0247 0.5774 ( 2672 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1559 -15.1559 -15.1525 -15.1525 -1.9056 -1.9056 -1.9023 -1.9023 -1.0771 -1.0771 -1.0516 -1.0516 -1.0494 -1.0494 6.5260 6.5260 8.1826 8.1826 8.2373 8.2373 9.2849 9.2849 9.4867 9.4867 9.5143 9.5143 9.6967 9.6967 9.7457 9.7457 9.7918 9.7918 9.9736 9.9736 10.0873 10.0873 10.1804 10.1804 10.7196 10.7196 10.7921 10.7921 14.1408 14.1408 14.1856 14.1856 14.8718 14.8718 14.9481 14.9481 15.6297 15.6297 k = 0.5000 0.0330 0.5657 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1559 -15.1559 -15.1525 -15.1525 -1.9056 -1.9056 -1.9023 -1.9023 -1.0769 -1.0769 -1.0520 -1.0520 -1.0491 -1.0491 6.5117 6.5117 8.1659 8.1659 8.2562 8.2562 9.2855 9.2855 9.4872 9.4872 9.5131 9.5131 9.6850 9.6850 9.7381 9.7381 9.7884 9.7884 9.9702 9.9702 10.0772 10.0772 10.1735 10.1735 10.7406 10.7406 10.8503 10.8503 14.1249 14.1249 14.1922 14.1922 14.8815 14.8815 14.9638 14.9638 15.6340 15.6340 k = 0.5000 0.0412 0.5541 ( 2668 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1559 -15.1559 -15.1524 -15.1524 -1.9056 -1.9056 -1.9022 -1.9022 -1.0767 -1.0767 -1.0524 -1.0524 -1.0487 -1.0487 6.4941 6.4941 8.1441 8.1441 8.2804 8.2804 9.2862 9.2862 9.4876 9.4876 9.5112 9.5112 9.6672 9.6672 9.7325 9.7325 9.7862 9.7862 9.9660 9.9660 10.0672 10.0672 10.1651 10.1651 10.7653 10.7653 10.9198 10.9198 14.1055 14.1055 14.2019 14.2019 14.8872 14.8872 14.9887 14.9887 15.6395 15.6395 k = 0.5000 0.0495 0.5424 ( 2668 PWs) bands (ev): -36.6552 -36.6552 -15.6576 -15.6576 -15.1559 -15.1559 -15.1523 -15.1523 -1.9056 -1.9056 -1.9021 -1.9021 -1.0765 -1.0765 -1.0528 -1.0528 -1.0484 -1.0484 6.4735 6.4735 8.1178 8.1178 8.3090 8.3090 9.2871 9.2871 9.4876 9.4876 9.5085 9.5085 9.6456 9.6456 9.7289 9.7289 9.7848 9.7848 9.9612 9.9612 10.0578 10.0578 10.1555 10.1555 10.7940 10.7940 10.9978 10.9978 14.0841 14.0841 14.2142 14.2142 14.8892 14.8892 15.0213 15.0213 15.6463 15.6463 k = 0.5000 0.0577 0.5307 ( 2672 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1560 -15.1560 -15.1521 -15.1521 -1.9057 -1.9057 -1.9021 -1.9021 -1.0763 -1.0763 -1.0534 -1.0534 -1.0481 -1.0481 6.4503 6.4503 8.0874 8.0874 8.3414 8.3414 9.2883 9.2883 9.4861 9.4861 9.5052 9.5052 9.6236 9.6236 9.7267 9.7267 9.7841 9.7841 9.9558 9.9558 10.0487 10.0487 10.1453 10.1453 10.8265 10.8265 11.0819 11.0819 14.0622 14.0622 14.2288 14.2288 14.8886 14.8886 15.0597 15.0597 15.6544 15.6544 k = 0.5000 0.0660 0.5191 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1561 -15.1561 -15.1520 -15.1520 -1.9056 -1.9056 -1.9020 -1.9020 -1.0760 -1.0760 -1.0538 -1.0538 -1.0478 -1.0478 6.4251 6.4251 8.0533 8.0533 8.3770 8.3770 9.2896 9.2896 9.4812 9.4812 9.5024 9.5024 9.6040 9.6040 9.7253 9.7253 9.7836 9.7836 9.9498 9.9498 10.0399 10.0399 10.1350 10.1350 10.8629 10.8629 11.1705 11.1705 14.0407 14.0407 14.2456 14.2456 14.8863 14.8863 15.1020 15.1020 15.6638 15.6638 k = 0.5000 0.0742 0.5074 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1561 -15.1561 -15.1518 -15.1518 -1.9056 -1.9056 -1.9019 -1.9019 -1.0756 -1.0756 -1.0544 -1.0544 -1.0474 -1.0474 6.3983 6.3983 8.0161 8.0161 8.4152 8.4152 9.2910 9.2910 9.4710 9.4710 9.5014 9.5014 9.5885 9.5885 9.7243 9.7243 9.7834 9.7834 9.9431 9.9431 10.0313 10.0313 10.1248 10.1248 10.9029 10.9029 11.2622 11.2622 14.0205 14.0205 14.2643 14.2643 14.8831 14.8831 15.1472 15.1472 15.6746 15.6746 k = 0.5000 0.0825 0.4957 ( 2674 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1562 -15.1562 -15.1516 -15.1516 -1.9056 -1.9056 -1.9019 -1.9019 -1.0753 -1.0753 -1.0550 -1.0550 -1.0471 -1.0471 6.3702 6.3702 7.9762 7.9762 8.4553 8.4553 9.2925 9.2925 9.4562 9.4562 9.5017 9.5017 9.5777 9.5777 9.7235 9.7235 9.7831 9.7831 9.9359 9.9359 10.0225 10.0225 10.1149 10.1149 10.9464 10.9464 11.3557 11.3557 14.0025 14.0025 14.2847 14.2847 14.8790 14.8790 15.1945 15.1945 15.6869 15.6869 k = 0.5000 0.0907 0.4841 ( 2668 PWs) bands (ev): -36.6553 -36.6553 -15.6573 -15.6573 -15.1562 -15.1562 -15.1514 -15.1514 -1.9055 -1.9055 -1.9017 -1.9017 -1.0750 -1.0750 -1.0555 -1.0555 -1.0466 -1.0466 6.3413 6.3413 7.9341 7.9341 8.4969 8.4969 9.2938 9.2938 9.4389 9.4389 9.5026 9.5026 9.5708 9.5708 9.7228 9.7228 9.7830 9.7830 9.9281 9.9281 10.0136 10.0136 10.1057 10.1057 10.9934 10.9934 11.4500 11.4500 13.9873 13.9873 14.3067 14.3067 14.8744 14.8744 15.2434 15.2434 15.7006 15.7006 k = 0.5000 0.0990 0.4724 ( 2666 PWs) bands (ev): -36.6553 -36.6553 -15.6573 -15.6573 -15.1563 -15.1563 -15.1512 -15.1512 -1.9055 -1.9055 -1.9015 -1.9015 -1.0746 -1.0746 -1.0561 -1.0561 -1.0462 -1.0462 6.3119 6.3119 7.8903 7.8903 8.5394 8.5394 9.2948 9.2948 9.4210 9.4210 9.5039 9.5039 9.5667 9.5667 9.7223 9.7223 9.7828 9.7828 9.9198 9.9198 10.0047 10.0047 10.0971 10.0971 11.0439 11.0439 11.5440 11.5440 13.9757 13.9757 14.3301 14.3301 14.8693 14.8693 15.2935 15.2935 15.7158 15.7158 k = 0.5000 0.1072 0.4607 ( 2670 PWs) bands (ev): -36.6553 -36.6553 -15.6572 -15.6572 -15.1564 -15.1564 -15.1510 -15.1510 -1.9056 -1.9056 -1.9015 -1.9015 -1.0743 -1.0743 -1.0567 -1.0567 -1.0458 -1.0458 6.2823 6.2823 7.8453 7.8453 8.5823 8.5823 9.2949 9.2949 9.4040 9.4040 9.5052 9.5052 9.5644 9.5644 9.7217 9.7217 9.7825 9.7825 9.9111 9.9111 9.9956 9.9956 10.0891 10.0891 11.0978 11.0978 11.6367 11.6367 13.9682 13.9682 14.3547 14.3547 14.8639 14.8639 15.3445 15.3445 15.7326 15.7326 k = 0.5000 0.1155 0.4491 ( 2668 PWs) bands (ev): -36.6553 -36.6553 -15.6571 -15.6571 -15.1565 -15.1565 -15.1508 -15.1508 -1.9055 -1.9055 -1.9013 -1.9013 -1.0739 -1.0739 -1.0573 -1.0573 -1.0453 -1.0453 6.2529 6.2529 7.7996 7.7996 8.6252 8.6252 9.2935 9.2935 9.3895 9.3895 9.5066 9.5066 9.5634 9.5634 9.7211 9.7211 9.7820 9.7820 9.9021 9.9021 9.9864 9.9864 10.0817 10.0817 11.1550 11.1550 11.7271 11.7271 13.9656 13.9656 14.3802 14.3802 14.8582 14.8582 15.3961 15.3961 15.7508 15.7508 k = 0.5000 0.1237 0.4374 ( 2664 PWs) bands (ev): -36.6553 -36.6553 -15.6571 -15.6571 -15.1565 -15.1565 -15.1505 -15.1505 -1.9055 -1.9055 -1.9011 -1.9011 -1.0735 -1.0735 -1.0579 -1.0579 -1.0448 -1.0448 6.2237 6.2237 7.7537 7.7537 8.6677 8.6677 9.2899 9.2899 9.3784 9.3784 9.5080 9.5080 9.5632 9.5632 9.7204 9.7204 9.7813 9.7813 9.8930 9.8930 9.9773 9.9773 10.0748 10.0748 11.2155 11.2155 11.8144 11.8144 13.9683 13.9683 14.4065 14.4065 14.8524 14.8524 15.4483 15.4483 15.7706 15.7706 k = 0.5000 0.1320 0.4257 ( 2664 PWs) bands (ev): -36.6553 -36.6553 -15.6570 -15.6570 -15.1566 -15.1566 -15.1503 -15.1503 -1.9055 -1.9055 -1.9010 -1.9010 -1.0732 -1.0732 -1.0585 -1.0585 -1.0443 -1.0443 6.1951 6.1951 7.7078 7.7078 8.7093 8.7093 9.2835 9.2835 9.3715 9.3715 9.5093 9.5093 9.5636 9.5636 9.7195 9.7195 9.7803 9.7803 9.8840 9.8840 9.9683 9.9683 10.0684 10.0684 11.2792 11.2792 11.8976 11.8976 13.9769 13.9769 14.4334 14.4334 14.8466 14.8466 15.5010 15.5010 15.7917 15.7917 k = 0.5000 0.1402 0.4141 ( 2664 PWs) bands (ev): -36.6553 -36.6553 -15.6569 -15.6569 -15.1567 -15.1567 -15.1501 -15.1501 -1.9056 -1.9056 -1.9009 -1.9009 -1.0729 -1.0729 -1.0591 -1.0591 -1.0437 -1.0437 6.1672 6.1672 7.6624 7.6624 8.7498 8.7498 9.2747 9.2747 9.3685 9.3685 9.5106 9.5106 9.5644 9.5644 9.7185 9.7185 9.7789 9.7789 9.8752 9.8752 9.9595 9.9595 10.0624 10.0624 11.3460 11.3460 11.9758 11.9758 13.9918 13.9918 14.4605 14.4605 14.8407 14.8407 15.5542 15.5542 15.8138 15.8138 k = 0.5000 0.1485 0.4024 ( 2660 PWs) bands (ev): -36.6553 -36.6553 -15.6569 -15.6569 -15.1567 -15.1567 -15.1498 -15.1498 -1.9055 -1.9055 -1.9007 -1.9007 -1.0726 -1.0726 -1.0596 -1.0596 -1.0432 -1.0432 6.1402 6.1402 7.6180 7.6180 8.7890 8.7890 9.2642 9.2642 9.3687 9.3687 9.5119 9.5119 9.5657 9.5657 9.7172 9.7172 9.7772 9.7772 9.8667 9.8667 9.9509 9.9509 10.0567 10.0567 11.4157 11.4157 12.0483 12.0483 14.0131 14.0131 14.4877 14.4877 14.8349 14.8349 15.6078 15.6078 15.8367 15.8367 k = 0.5000 0.1567 0.3908 ( 2666 PWs) bands (ev): -36.6553 -36.6553 -15.6568 -15.6568 -15.1568 -15.1568 -15.1496 -15.1496 -1.9056 -1.9056 -1.9006 -1.9006 -1.0725 -1.0725 -1.0602 -1.0602 -1.0427 -1.0427 6.1142 6.1142 7.5746 7.5746 8.8263 8.8263 9.2530 9.2530 9.3710 9.3710 9.5131 9.5131 9.5672 9.5672 9.7155 9.7155 9.7750 9.7750 9.8585 9.8585 9.9427 9.9427 10.0513 10.0513 11.4881 11.4881 12.1145 12.1145 14.0409 14.0409 14.5146 14.5146 14.8293 14.8293 15.6619 15.6619 15.8592 15.8592 k = 0.5000 0.1650 0.3791 ( 2664 PWs) bands (ev): -36.6554 -36.6554 -15.6568 -15.6568 -15.1569 -15.1569 -15.1494 -15.1494 -1.9056 -1.9056 -1.9005 -1.9005 -1.0722 -1.0722 -1.0607 -1.0607 -1.0422 -1.0422 6.0894 6.0894 7.5328 7.5328 8.8618 8.8618 9.2418 9.2418 9.3747 9.3747 9.5144 9.5144 9.5690 9.5690 9.7135 9.7135 9.7724 9.7724 9.8508 9.8508 9.9351 9.9351 10.0461 10.0461 11.5630 11.5630 12.1741 12.1741 14.0749 14.0749 14.5413 14.5413 14.8239 14.8239 15.7167 15.7167 15.8796 15.8796 k = 0.5000 0.1732 0.3674 ( 2664 PWs) bands (ev): -36.6554 -36.6554 -15.6567 -15.6567 -15.1570 -15.1570 -15.1492 -15.1492 -1.9057 -1.9057 -1.9003 -1.9003 -1.0721 -1.0721 -1.0611 -1.0611 -1.0416 -1.0416 6.0658 6.0658 7.4926 7.4926 8.8951 8.8951 9.2311 9.2311 9.3793 9.3793 9.5157 9.5157 9.5711 9.5711 9.7111 9.7111 9.7694 9.7694 9.8434 9.8434 9.9281 9.9281 10.0413 10.0413 11.6398 11.6398 12.2269 12.2269 14.1147 14.1147 14.5674 14.5674 14.8189 14.8189 15.7722 15.7722 15.8943 15.8943 k = 0.5000 0.1815 0.3558 ( 2670 PWs) bands (ev): -36.6554 -36.6554 -15.6567 -15.6567 -15.1571 -15.1571 -15.1489 -15.1489 -1.9058 -1.9058 -1.9002 -1.9002 -1.0720 -1.0720 -1.0616 -1.0616 -1.0411 -1.0411 6.0435 6.0435 7.4544 7.4544 8.9260 8.9260 9.2212 9.2212 9.3845 9.3845 9.5171 9.5171 9.5736 9.5736 9.7082 9.7082 9.7658 9.7658 9.8365 9.8365 9.9217 9.9217 10.0366 10.0366 11.7182 11.7182 12.2730 12.2730 14.1592 14.1592 14.5927 14.5927 14.8143 14.8143 15.8285 15.8285 15.8961 15.8961 k = 0.5000 0.1897 0.3441 ( 2670 PWs) bands (ev): -36.6554 -36.6554 -15.6566 -15.6566 -15.1571 -15.1571 -15.1487 -15.1487 -1.9058 -1.9058 -1.9001 -1.9001 -1.0720 -1.0720 -1.0619 -1.0619 -1.0406 -1.0406 6.0226 6.0226 7.4183 7.4183 8.9543 8.9543 9.2123 9.2123 9.3899 9.3899 9.5186 9.5186 9.5764 9.5764 9.7049 9.7049 9.7618 9.7618 9.8299 9.8299 9.9161 9.9161 10.0322 10.0322 11.7976 11.7976 12.3125 12.3125 14.2076 14.2076 14.6171 14.6171 14.8103 14.8103 15.8706 15.8706 15.8884 15.8884 k = 0.5000 0.1979 0.3324 ( 2668 PWs) bands (ev): -36.6554 -36.6554 -15.6565 -15.6565 -15.1572 -15.1572 -15.1485 -15.1485 -1.9058 -1.9058 -1.8999 -1.8999 -1.0719 -1.0719 -1.0622 -1.0622 -1.0401 -1.0401 6.0033 6.0033 7.3846 7.3846 8.9799 8.9799 9.2047 9.2047 9.3955 9.3955 9.5202 9.5202 9.5797 9.5797 9.7012 9.7012 9.7573 9.7573 9.8238 9.8238 9.9114 9.9114 10.0281 10.0281 11.8774 11.8774 12.3461 12.3461 14.2583 14.2583 14.6405 14.6405 14.8069 14.8069 15.8178 15.8178 15.9452 15.9452 k = 0.5000 0.2062 0.3208 ( 2668 PWs) bands (ev): -36.6554 -36.6554 -15.6565 -15.6565 -15.1572 -15.1572 -15.1484 -15.1484 -1.9059 -1.9059 -1.8998 -1.8998 -1.0720 -1.0720 -1.0625 -1.0625 -1.0396 -1.0396 5.9854 5.9854 7.3533 7.3533 9.0024 9.0024 9.1985 9.1985 9.4009 9.4009 9.5219 9.5219 9.5835 9.5835 9.6972 9.6972 9.7520 9.7520 9.8181 9.8181 9.9074 9.9074 10.0242 10.0242 11.9568 11.9568 12.3742 12.3742 14.3100 14.3100 14.6629 14.6629 14.8043 14.8043 15.7397 15.7397 16.0046 16.0046 k = 0.5000 0.2144 0.3091 ( 2664 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1573 -15.1573 -15.1482 -15.1482 -1.9059 -1.9059 -1.8996 -1.8996 -1.0720 -1.0720 -1.0627 -1.0627 -1.0390 -1.0390 5.9691 5.9691 7.3246 7.3246 9.0217 9.0217 9.1940 9.1940 9.4061 9.4061 9.5237 9.5237 9.5879 9.5879 9.6930 9.6930 9.7461 9.7461 9.8130 9.8130 9.9043 9.9043 10.0206 10.0206 12.0349 12.0349 12.3976 12.3976 14.3611 14.3611 14.6842 14.6842 14.8026 14.8026 15.6500 15.6500 16.0648 16.0648 k = 0.5000 0.2227 0.2974 ( 2666 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1573 -15.1573 -15.1480 -15.1480 -1.9060 -1.9060 -1.8995 -1.8995 -1.0721 -1.0721 -1.0628 -1.0628 -1.0386 -1.0386 5.9545 5.9545 7.2986 7.2986 9.0377 9.0377 9.1912 9.1912 9.4110 9.4110 9.5254 9.5254 9.5929 9.5929 9.6888 9.6888 9.7392 9.7392 9.8086 9.8086 9.9017 9.9017 10.0173 10.0173 12.1106 12.1106 12.4167 12.4167 14.4099 14.4099 14.7044 14.7044 14.8020 14.8020 15.5570 15.5570 16.1255 16.1255 k = 0.5000 0.2309 0.2858 ( 2668 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1574 -15.1574 -15.1479 -15.1479 -1.9061 -1.9061 -1.8994 -1.8994 -1.0722 -1.0722 -1.0630 -1.0630 -1.0382 -1.0382 5.9414 5.9414 7.2755 7.2755 9.0504 9.0504 9.1901 9.1901 9.4155 9.4155 9.5271 9.5271 9.5987 9.5987 9.6846 9.6846 9.7316 9.7316 9.8049 9.8049 9.8998 9.8998 10.0143 10.0143 12.1825 12.1825 12.4324 12.4324 14.4549 14.4549 14.7237 14.7237 14.8026 14.8026 15.4654 15.4654 16.1857 16.1857 k = 0.5000 0.2392 0.2741 ( 2670 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1574 -15.1574 -15.1478 -15.1478 -1.9061 -1.9061 -1.8994 -1.8994 -1.0723 -1.0723 -1.0631 -1.0631 -1.0379 -1.0379 5.9301 5.9301 7.2553 7.2553 9.0598 9.0598 9.1907 9.1907 9.4196 9.4196 9.5287 9.5287 9.6052 9.6052 9.6806 9.6806 9.7231 9.7231 9.8018 9.8018 9.8983 9.8983 10.0117 10.0117 12.2493 12.2493 12.4453 12.4453 14.4950 14.4950 14.7420 14.7420 14.8045 14.8045 15.3781 15.3781 16.2444 16.2444 k = 0.5000 0.2474 0.2624 ( 2666 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1574 -15.1574 -15.1476 -15.1476 -1.9061 -1.9061 -1.8993 -1.8993 -1.0723 -1.0723 -1.0631 -1.0631 -1.0376 -1.0376 5.9205 5.9205 7.2380 7.2380 9.0665 9.0665 9.1925 9.1925 9.4231 9.4231 9.5301 9.5301 9.6124 9.6124 9.6770 9.6770 9.7141 9.7141 9.7994 9.7994 9.8972 9.8972 10.0095 10.0095 12.3091 12.3091 12.4561 12.4561 14.5291 14.5291 14.7597 14.7597 14.8076 14.8076 15.2974 15.2974 16.2997 16.2997 k = 0.5000 0.2557 0.2508 ( 2664 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1575 -15.1575 -15.1475 -15.1475 -1.9061 -1.9061 -1.8992 -1.8992 -1.0724 -1.0724 -1.0632 -1.0632 -1.0373 -1.0373 5.9126 5.9126 7.2239 7.2239 9.0710 9.0710 9.1949 9.1949 9.4261 9.4261 9.5313 9.5313 9.6203 9.6203 9.6738 9.6738 9.7047 9.7047 9.7976 9.7976 9.8964 9.8964 10.0076 10.0076 12.3597 12.3597 12.4658 12.4658 14.5566 14.5566 14.7765 14.7765 14.8117 14.8117 15.2253 15.2253 16.3494 16.3494 k = 0.5000 0.2639 0.2391 ( 2662 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1475 -15.1475 -1.9061 -1.9061 -1.8991 -1.8991 -1.0724 -1.0724 -1.0632 -1.0632 -1.0371 -1.0371 5.9064 5.9064 7.2128 7.2128 9.0737 9.0737 9.1975 9.1975 9.4285 9.4285 9.5322 9.5322 9.6286 9.6286 9.6711 9.6711 9.6950 9.6950 9.7963 9.7963 9.8958 9.8958 10.0062 10.0062 12.3988 12.3988 12.4755 12.4755 14.5775 14.5775 14.7922 14.7922 14.8165 14.8165 15.1640 15.1640 16.3905 16.3905 k = 0.5000 0.2722 0.2275 ( 2662 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1474 -15.1474 -1.9061 -1.9061 -1.8991 -1.8991 -1.0725 -1.0725 -1.0632 -1.0632 -1.0369 -1.0369 5.9020 5.9020 7.2048 7.2048 9.0754 9.0754 9.1996 9.1996 9.4303 9.4303 9.5329 9.5329 9.6370 9.6370 9.6691 9.6691 9.6857 9.6857 9.7954 9.7954 9.8955 9.8955 10.0051 10.0051 12.4243 12.4243 12.4859 12.4859 14.5919 14.5919 14.8056 14.8056 14.8213 14.8213 15.1160 15.1160 16.4201 16.4201 k = 0.5000 0.2804 0.2158 ( 2662 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1474 -15.1474 -1.9061 -1.9061 -1.8991 -1.8991 -1.0725 -1.0725 -1.0632 -1.0632 -1.0368 -1.0368 5.8994 5.8994 7.2001 7.2001 9.0762 9.0762 9.2011 9.2011 9.4313 9.4313 9.5333 9.5333 9.6446 9.6446 9.6677 9.6677 9.6778 9.6778 9.7948 9.7948 9.8953 9.8953 10.0045 10.0045 12.4373 12.4373 12.4950 12.4950 14.6002 14.6002 14.8142 14.8142 14.8260 14.8260 15.0846 15.0846 16.4373 16.4373 k = 0.5000 0.2887 0.2041 ( 2638 PWs) bands (ev): -36.6555 -36.6555 -15.6561 -15.6561 -15.1575 -15.1575 -15.1473 -15.1473 -1.9058 -1.9058 -1.8988 -1.8988 -1.0722 -1.0722 -1.0630 -1.0630 -1.0366 -1.0366 5.8985 5.8985 7.1985 7.1985 9.0766 9.0766 9.2017 9.2017 9.4318 9.4318 9.5335 9.5335 9.6482 9.6482 9.6670 9.6670 9.6745 9.6745 9.7948 9.7948 9.8953 9.8953 10.0043 10.0043 12.4410 12.4410 12.4987 12.4987 14.6030 14.6030 14.8169 14.8169 14.8284 14.8284 15.0736 15.0736 16.4430 16.4430 k = 0.5000 0.2887 0.2041 ( 2638 PWs) bands (ev): -36.6555 -36.6555 -15.6561 -15.6561 -15.1575 -15.1575 -15.1473 -15.1473 -1.9058 -1.9058 -1.8988 -1.8988 -1.0722 -1.0722 -1.0630 -1.0630 -1.0366 -1.0366 5.8985 5.8985 7.1985 7.1985 9.0766 9.0766 9.2017 9.2017 9.4318 9.4318 9.5335 9.5335 9.6482 9.6482 9.6670 9.6670 9.6745 9.6745 9.7948 9.7948 9.8953 9.8953 10.0043 10.0043 12.4410 12.4410 12.4987 12.4987 14.6030 14.6030 14.8169 14.8169 14.8284 14.8284 15.0736 15.0736 16.4430 16.4430 k = 0.4960 0.2863 0.2173 ( 2665 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1474 -15.1474 -1.9061 -1.9061 -1.8991 -1.8991 -1.0725 -1.0725 -1.0633 -1.0633 -1.0369 -1.0369 5.8993 5.8993 7.2000 7.2000 9.0762 9.0762 9.2011 9.2011 9.4313 9.4313 9.5333 9.5333 9.6447 9.6447 9.6676 9.6676 9.6777 9.6777 9.7948 9.7948 9.8953 9.8953 10.0045 10.0045 12.4374 12.4374 12.4952 12.4952 14.6003 14.6003 14.8143 14.8143 14.8261 14.8261 15.0841 15.0841 16.4376 16.4376 k = 0.4919 0.2840 0.2305 ( 2665 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1474 -15.1474 -1.9061 -1.9061 -1.8992 -1.8992 -1.0725 -1.0725 -1.0633 -1.0633 -1.0369 -1.0369 5.9019 5.9019 7.2046 7.2046 9.0754 9.0754 9.1997 9.1997 9.4303 9.4303 9.5329 9.5329 9.6374 9.6374 9.6690 9.6690 9.6853 9.6853 9.7953 9.7953 9.8955 9.8955 10.0051 10.0051 12.4251 12.4251 12.4864 12.4864 14.5923 14.5923 14.8062 14.8062 14.8214 14.8214 15.1142 15.1142 16.4212 16.4212 k = 0.4879 0.2817 0.2436 ( 2665 PWs) bands (ev): -36.6554 -36.6554 -15.6562 -15.6562 -15.1575 -15.1575 -15.1475 -15.1475 -1.9061 -1.9061 -1.8992 -1.8992 -1.0725 -1.0725 -1.0632 -1.0632 -1.0371 -1.0371 5.9061 5.9061 7.2121 7.2121 9.0739 9.0739 9.1976 9.1976 9.4286 9.4286 9.5323 9.5323 9.6291 9.6291 9.6710 9.6710 9.6944 9.6944 9.7962 9.7962 9.8958 9.8958 10.0061 10.0061 12.4008 12.4008 12.4763 12.4763 14.5785 14.5785 14.7943 14.7943 14.8158 14.8158 15.1603 15.1603 16.3931 16.3931 k = 0.4839 0.2794 0.2568 ( 2666 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1575 -15.1575 -15.1475 -15.1475 -1.9061 -1.9061 -1.8992 -1.8992 -1.0724 -1.0724 -1.0632 -1.0632 -1.0373 -1.0373 5.9120 5.9120 7.2227 7.2227 9.0713 9.0713 9.1951 9.1951 9.4263 9.4263 9.5314 9.5314 9.6210 9.6210 9.6736 9.6736 9.7037 9.7037 9.7975 9.7975 9.8963 9.8963 10.0075 10.0075 12.3632 12.3632 12.4672 12.4672 14.5580 14.5580 14.7817 14.7817 14.8090 14.8090 15.2194 15.2194 16.3545 16.3545 k = 0.4798 0.2770 0.2700 ( 2668 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1575 -15.1575 -15.1476 -15.1476 -1.9061 -1.9061 -1.8993 -1.8993 -1.0724 -1.0724 -1.0632 -1.0632 -1.0376 -1.0376 5.9195 5.9195 7.2363 7.2363 9.0671 9.0671 9.1927 9.1927 9.4235 9.4235 9.5302 9.5302 9.6132 9.6132 9.6768 9.6768 9.7129 9.7129 9.7992 9.7992 9.8971 9.8971 10.0092 10.0092 12.3138 12.3138 12.4588 12.4588 14.5302 14.5302 14.7706 14.7706 14.8010 14.8010 15.2890 15.2890 16.3083 16.3083 k = 0.4758 0.2747 0.2831 ( 2672 PWs) bands (ev): -36.6554 -36.6554 -15.6563 -15.6563 -15.1574 -15.1574 -15.1478 -15.1478 -1.9061 -1.9061 -1.8994 -1.8994 -1.0723 -1.0723 -1.0631 -1.0631 -1.0379 -1.0379 5.9287 5.9287 7.2528 7.2528 9.0609 9.0609 9.1908 9.1908 9.4201 9.4201 9.5287 9.5287 9.6062 9.6062 9.6806 9.6806 9.7215 9.7215 9.8015 9.8015 9.8981 9.8981 10.0114 10.0114 12.2550 12.2550 12.4501 12.4501 14.4947 14.4947 14.7622 14.7622 14.7917 14.7917 15.3670 15.3670 16.2577 16.2577 k = 0.4718 0.2724 0.2963 ( 2674 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1574 -15.1574 -15.1479 -15.1479 -1.9061 -1.9061 -1.8995 -1.8995 -1.0722 -1.0722 -1.0631 -1.0631 -1.0383 -1.0383 5.9396 5.9396 7.2721 7.2721 9.0521 9.0521 9.1900 9.1900 9.4162 9.4162 9.5269 9.5269 9.5999 9.5999 9.6848 9.6848 9.7295 9.7295 9.8044 9.8044 9.8994 9.8994 10.0139 10.0139 12.1885 12.1885 12.4409 12.4409 14.4514 14.4514 14.7566 14.7566 14.7815 14.7815 15.4516 15.4516 16.2052 16.2052 k = 0.4677 0.2701 0.3095 ( 2674 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1574 -15.1574 -15.1480 -15.1480 -1.9060 -1.9060 -1.8996 -1.8996 -1.0721 -1.0721 -1.0629 -1.0629 -1.0387 -1.0387 5.9520 5.9520 7.2943 7.2943 9.0404 9.0404 9.1906 9.1906 9.4119 9.4119 9.5247 9.5247 9.5945 9.5945 9.6895 9.6895 9.7366 9.7366 9.8079 9.8079 9.9012 9.9012 10.0168 10.0168 12.1160 12.1160 12.4306 12.4306 14.4008 14.4008 14.7532 14.7532 14.7711 14.7711 15.5407 15.5407 16.1534 16.1534 k = 0.4637 0.2677 0.3226 ( 2671 PWs) bands (ev): -36.6554 -36.6554 -15.6564 -15.6564 -15.1573 -15.1573 -15.1482 -15.1482 -1.9060 -1.9060 -1.8997 -1.8997 -1.0720 -1.0720 -1.0628 -1.0628 -1.0390 -1.0390 5.9660 5.9660 7.3192 7.3192 9.0255 9.0255 9.1928 9.1928 9.4072 9.4072 9.5222 9.5222 9.5903 9.5903 9.6944 9.6944 9.7427 9.7427 9.8121 9.8121 9.9035 9.9035 10.0200 10.0200 12.0386 12.0386 12.4194 12.4194 14.3439 14.3439 14.7488 14.7488 14.7637 14.7637 15.6316 15.6316 16.1049 16.1049 k = 0.4597 0.2654 0.3358 ( 2671 PWs) bands (ev): -36.6554 -36.6554 -15.6565 -15.6565 -15.1573 -15.1573 -15.1483 -15.1483 -1.9059 -1.9059 -1.8998 -1.8998 -1.0720 -1.0720 -1.0626 -1.0626 -1.0395 -1.0395 5.9816 5.9816 7.3467 7.3467 9.0074 9.0074 9.1967 9.1967 9.4022 9.4022 9.5192 9.5192 9.5871 9.5871 9.6995 9.6995 9.7480 9.7480 9.8168 9.8168 9.9063 9.9063 10.0235 10.0235 11.9577 11.9577 12.4069 12.4069 14.2815 14.2815 14.7393 14.7393 14.7632 14.7632 15.7194 15.7194 16.0643 16.0643 k = 0.4556 0.2631 0.3490 ( 2675 PWs) bands (ev): -36.6554 -36.6554 -15.6565 -15.6565 -15.1572 -15.1572 -15.1485 -15.1485 -1.9059 -1.9059 -1.9000 -1.9000 -1.0720 -1.0720 -1.0624 -1.0624 -1.0400 -1.0400 5.9987 5.9987 7.3766 7.3766 8.9863 8.9863 9.2020 9.2020 9.3969 9.3969 9.5157 9.5157 9.5850 9.5850 9.7046 9.7046 9.7526 9.7526 9.8218 9.8218 9.9096 9.9096 10.0274 10.0274 11.8740 11.8740 12.3932 12.3932 14.2147 14.2147 14.7270 14.7270 14.7671 14.7671 15.7923 15.7923 16.0425 16.0425 k = 0.4516 0.2607 0.3622 ( 2668 PWs) bands (ev): -36.6554 -36.6554 -15.6566 -15.6566 -15.1571 -15.1571 -15.1487 -15.1487 -1.9058 -1.9058 -1.9000 -1.9000 -1.0719 -1.0719 -1.0621 -1.0621 -1.0404 -1.0404 6.0173 6.0173 7.4090 7.4090 8.9623 8.9623 9.2087 9.2087 9.3914 9.3914 9.5119 9.5119 9.5841 9.5841 9.7096 9.7096 9.7566 9.7566 9.8270 9.8270 9.9136 9.9136 10.0316 10.0316 11.7888 11.7888 12.3784 12.3784 14.1443 14.1443 14.7141 14.7141 14.7734 14.7734 15.8270 15.8270 16.0606 16.0606 k = 0.4476 0.2584 0.3753 ( 2672 PWs) bands (ev): -36.6554 -36.6554 -15.6566 -15.6566 -15.1571 -15.1571 -15.1489 -15.1489 -1.9058 -1.9058 -1.9002 -1.9002 -1.0720 -1.0720 -1.0619 -1.0619 -1.0409 -1.0409 6.0373 6.0373 7.4436 7.4436 8.9356 8.9356 9.2165 9.2165 9.3856 9.3856 9.5078 9.5078 9.5842 9.5842 9.7143 9.7143 9.7605 9.7605 9.8322 9.8322 9.9181 9.9181 10.0362 10.0362 11.7024 11.7024 12.3623 12.3623 14.0714 14.0714 14.7011 14.7011 14.7814 14.7814 15.8181 15.8181 16.0206 16.0206 k = 0.4435 0.2561 0.3885 ( 2670 PWs) bands (ev): -36.6554 -36.6554 -15.6567 -15.6567 -15.1570 -15.1570 -15.1491 -15.1491 -1.9058 -1.9058 -1.9003 -1.9003 -1.0720 -1.0720 -1.0615 -1.0615 -1.0414 -1.0414 6.0586 6.0586 7.4803 7.4803 8.9064 8.9064 9.2252 9.2252 9.3798 9.3798 9.5034 9.5034 9.5852 9.5852 9.7186 9.7186 9.7644 9.7644 9.8374 9.8374 9.9231 9.9231 10.0410 10.0410 11.6159 11.6159 12.3450 12.3450 13.9968 13.9968 14.6885 14.6885 14.7907 14.7907 15.7886 15.7886 15.9739 15.9739 k = 0.4395 0.2538 0.4017 ( 2672 PWs) bands (ev): -36.6554 -36.6554 -15.6568 -15.6568 -15.1570 -15.1570 -15.1493 -15.1493 -1.9058 -1.9058 -1.9004 -1.9004 -1.0721 -1.0721 -1.0613 -1.0613 -1.0418 -1.0418 6.0812 6.0812 7.5188 7.5188 8.8749 8.8749 9.2348 9.2348 9.3739 9.3739 9.4990 9.4990 9.5870 9.5870 9.7224 9.7224 9.7686 9.7686 9.8424 9.8424 9.9283 9.9283 10.0462 10.0462 11.5297 11.5297 12.3266 12.3266 13.9214 13.9214 14.6765 14.6765 14.8012 14.8012 15.7525 15.7525 15.9274 15.9274 k = 0.4355 0.2514 0.4148 ( 2672 PWs) bands (ev): -36.6553 -36.6553 -15.6568 -15.6568 -15.1569 -15.1569 -15.1495 -15.1495 -1.9058 -1.9058 -1.9005 -1.9005 -1.0722 -1.0722 -1.0609 -1.0609 -1.0423 -1.0423 6.1049 6.1049 7.5588 7.5588 8.8413 8.8413 9.2450 9.2450 9.3680 9.3680 9.4944 9.4944 9.5896 9.5896 9.7255 9.7255 9.7732 9.7732 9.8475 9.8475 9.9337 9.9337 10.0517 10.0517 11.4445 11.4445 12.3070 12.3070 13.8459 13.8459 14.6654 14.6654 14.8126 14.8126 15.7147 15.7147 15.8811 15.8811 k = 0.4315 0.2491 0.4280 ( 2670 PWs) bands (ev): -36.6553 -36.6553 -15.6569 -15.6569 -15.1568 -15.1568 -15.1497 -15.1497 -1.9058 -1.9058 -1.9006 -1.9006 -1.0724 -1.0724 -1.0606 -1.0606 -1.0427 -1.0427 6.1298 6.1298 7.6002 7.6002 8.8057 8.8057 9.2556 9.2556 9.3624 9.3624 9.4899 9.4899 9.5928 9.5928 9.7281 9.7281 9.7784 9.7784 9.8526 9.8526 9.9390 9.9390 10.0575 10.0575 11.3609 11.3609 12.2865 12.2865 13.7709 13.7709 14.6554 14.6554 14.8249 14.8249 15.6767 15.6767 15.8353 15.8353 k = 0.4274 0.2468 0.4412 ( 2670 PWs) bands (ev): -36.6553 -36.6553 -15.6569 -15.6569 -15.1568 -15.1568 -15.1499 -15.1499 -1.9058 -1.9058 -1.9007 -1.9007 -1.0726 -1.0726 -1.0602 -1.0602 -1.0431 -1.0431 6.1556 6.1556 7.6426 7.6426 8.7685 8.7685 9.2664 9.2664 9.3570 9.3570 9.4856 9.4856 9.5966 9.5966 9.7300 9.7300 9.7841 9.7841 9.8579 9.8579 9.9441 9.9441 10.0634 10.0634 11.2794 11.2794 12.2649 12.2649 13.6969 13.6969 14.6467 14.6467 14.8378 14.8378 15.6393 15.6393 15.7899 15.7899 k = 0.4234 0.2444 0.4543 ( 2673 PWs) bands (ev): -36.6553 -36.6553 -15.6570 -15.6570 -15.1567 -15.1567 -15.1502 -15.1502 -1.9059 -1.9059 -1.9009 -1.9009 -1.0728 -1.0728 -1.0600 -1.0600 -1.0434 -1.0434 6.1822 6.1822 7.6854 7.6854 8.7301 8.7301 9.2770 9.2770 9.3522 9.3522 9.4814 9.4814 9.6008 9.6008 9.7314 9.7314 9.7904 9.7904 9.8634 9.8634 9.9488 9.9488 10.0694 10.0694 11.2007 11.2007 12.2424 12.2424 13.6246 13.6246 14.6394 14.6394 14.8513 14.8513 15.6029 15.6029 15.7451 15.7451 k = 0.4194 0.2421 0.4675 ( 2671 PWs) bands (ev): -36.6553 -36.6553 -15.6571 -15.6571 -15.1566 -15.1566 -15.1504 -15.1504 -1.9060 -1.9060 -1.9009 -1.9009 -1.0731 -1.0731 -1.0596 -1.0596 -1.0437 -1.0437 6.2095 6.2095 7.7282 7.7282 8.6908 8.6908 9.2871 9.2871 9.3483 9.3483 9.4775 9.4775 9.6055 9.6055 9.7324 9.7324 9.7972 9.7972 9.8694 9.8694 9.9530 9.9530 10.0754 10.0754 11.1252 11.1252 12.2191 12.2191 13.5542 13.5542 14.6337 14.6337 14.8651 14.8651 15.5675 15.5675 15.7009 15.7009 k = 0.4153 0.2398 0.4807 ( 2671 PWs) bands (ev): -36.6553 -36.6553 -15.6571 -15.6571 -15.1566 -15.1566 -15.1505 -15.1505 -1.9061 -1.9061 -1.9009 -1.9009 -1.0734 -1.0734 -1.0594 -1.0594 -1.0438 -1.0438 6.2371 6.2371 7.7703 7.7703 8.6513 8.6513 9.2958 9.2958 9.3460 9.3460 9.4741 9.4741 9.6104 9.6104 9.7332 9.7332 9.8044 9.8044 9.8759 9.8759 9.9567 9.9567 10.0811 10.0811 11.0536 11.0536 12.1951 12.1951 13.4861 13.4861 14.6297 14.6297 14.8790 14.8790 15.5334 15.5334 15.6572 15.6572 k = 0.4113 0.2375 0.4938 ( 2669 PWs) bands (ev): -36.6553 -36.6553 -15.6572 -15.6572 -15.1566 -15.1566 -15.1507 -15.1507 -1.9061 -1.9061 -1.9010 -1.9010 -1.0736 -1.0736 -1.0592 -1.0592 -1.0439 -1.0439 6.2650 6.2650 7.8108 7.8108 8.6125 8.6125 9.3021 9.3021 9.3462 9.3462 9.4712 9.4712 9.6156 9.6156 9.7338 9.7338 9.8121 9.8121 9.8830 9.8830 9.9598 9.9598 10.0863 10.0863 10.9864 10.9864 12.1704 12.1704 13.4204 13.4204 14.6275 14.6275 14.8930 14.8930 15.5007 15.5007 15.6143 15.6143 k = 0.4073 0.2351 0.5070 ( 2668 PWs) bands (ev): -36.6553 -36.6553 -15.6572 -15.6572 -15.1565 -15.1565 -15.1509 -15.1509 -1.9063 -1.9063 -1.9010 -1.9010 -1.0739 -1.0739 -1.0590 -1.0590 -1.0440 -1.0440 6.2928 6.2928 7.8484 7.8484 8.5756 8.5756 9.3053 9.3053 9.3494 9.3494 9.4689 9.4689 9.6209 9.6209 9.7342 9.7342 9.8204 9.8204 9.8908 9.8908 9.9623 9.9623 10.0906 10.0906 10.9244 10.9244 12.1453 12.1453 13.3576 13.3576 14.6271 14.6271 14.9066 14.9066 15.4697 15.4697 15.5720 15.5720 k = 0.4032 0.2328 0.5202 ( 2664 PWs) bands (ev): -36.6553 -36.6553 -15.6573 -15.6573 -15.1565 -15.1565 -15.1510 -15.1510 -1.9064 -1.9064 -1.9010 -1.9010 -1.0742 -1.0742 -1.0589 -1.0589 -1.0439 -1.0439 6.3201 6.3201 7.8817 7.8817 8.5421 8.5421 9.3057 9.3057 9.3551 9.3551 9.4676 9.4676 9.6262 9.6262 9.7345 9.7345 9.8294 9.8294 9.8992 9.8992 9.9644 9.9644 10.0938 10.0938 10.8680 10.8680 12.1199 12.1199 13.2975 13.2975 14.6285 14.6285 14.9196 14.9196 15.4407 15.4407 15.5306 15.5306 k = 0.3992 0.2305 0.5334 ( 2658 PWs) bands (ev): -36.6553 -36.6553 -15.6573 -15.6573 -15.1565 -15.1565 -15.1511 -15.1511 -1.9065 -1.9065 -1.9009 -1.9009 -1.0746 -1.0746 -1.0588 -1.0588 -1.0437 -1.0437 6.3466 6.3466 7.9087 7.9087 8.5142 8.5142 9.3047 9.3047 9.3619 9.3619 9.4673 9.4673 9.6315 9.6315 9.7348 9.7348 9.8391 9.8391 9.9083 9.9083 9.9659 9.9659 10.0954 10.0954 10.8179 10.8179 12.0941 12.0941 13.2404 13.2404 14.6319 14.6319 14.9315 14.9315 15.4142 15.4142 15.4899 15.4899 k = 0.3952 0.2281 0.5465 ( 2659 PWs) bands (ev): -36.6552 -36.6552 -15.6573 -15.6573 -15.1565 -15.1565 -15.1512 -15.1512 -1.9068 -1.9068 -1.9008 -1.9008 -1.0750 -1.0750 -1.0587 -1.0587 -1.0436 -1.0436 6.3717 6.3717 7.9274 7.9274 8.4940 8.4940 9.3031 9.3031 9.3684 9.3684 9.4683 9.4683 9.6363 9.6363 9.7351 9.7351 9.8497 9.8497 9.9180 9.9180 9.9672 9.9672 10.0952 10.0952 10.7748 10.7748 12.0682 12.0682 13.1863 13.1863 14.6371 14.6371 14.9420 14.9420 15.3905 15.3905 15.4502 15.4502 k = 0.3911 0.2258 0.5597 ( 2658 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1565 -15.1565 -15.1513 -15.1513 -1.9070 -1.9070 -1.9007 -1.9007 -1.0754 -1.0754 -1.0587 -1.0587 -1.0433 -1.0433 6.3950 6.3950 7.9360 7.9360 8.4837 8.4837 9.3016 9.3016 9.3740 9.3740 9.4708 9.4708 9.6408 9.6408 9.7354 9.7354 9.8611 9.8611 9.9284 9.9284 9.9685 9.9685 10.0930 10.0930 10.7391 10.7391 12.0423 12.0423 13.1350 13.1350 14.6442 14.6442 14.9503 14.9503 15.3704 15.3704 15.4115 15.4115 k = 0.3871 0.2235 0.5729 ( 2657 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1565 -15.1565 -15.1513 -15.1513 -1.9073 -1.9073 -1.9006 -1.9006 -1.0758 -1.0758 -1.0587 -1.0587 -1.0431 -1.0431 6.4157 6.4157 7.9340 7.9340 8.4842 8.4842 9.3005 9.3005 9.3782 9.3782 9.4747 9.4747 9.6445 9.6445 9.7358 9.7358 9.8732 9.8732 9.9393 9.9393 9.9700 9.9700 10.0888 10.0888 10.7111 10.7111 12.0166 12.0166 13.0867 13.0867 14.6531 14.6531 14.9561 14.9561 15.3544 15.3544 15.3739 15.3739 k = 0.3831 0.2212 0.5860 ( 2657 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1565 -15.1565 -15.1514 -15.1514 -1.9076 -1.9076 -1.9006 -1.9006 -1.0763 -1.0763 -1.0588 -1.0588 -1.0428 -1.0428 6.4331 6.4331 7.9223 7.9223 8.4952 8.4952 9.2999 9.2999 9.3810 9.3810 9.4799 9.4799 9.6474 9.6474 9.7362 9.7362 9.8853 9.8853 9.9502 9.9502 9.9728 9.9728 10.0831 10.0831 10.6909 10.6909 11.9910 11.9910 13.0413 13.0413 14.6638 14.6638 14.9588 14.9588 15.3372 15.3372 15.3435 15.3435 k = 0.3790 0.2188 0.5992 ( 2661 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1566 -15.1566 -15.1514 -15.1514 -1.9079 -1.9079 -1.9005 -1.9005 -1.0768 -1.0768 -1.0589 -1.0589 -1.0426 -1.0426 6.4463 6.4463 7.9033 7.9033 8.5149 8.5149 9.3001 9.3001 9.3825 9.3825 9.4860 9.4860 9.6494 9.6494 9.7366 9.7366 9.8966 9.8966 9.9601 9.9601 9.9782 9.9782 10.0770 10.0770 10.6785 10.6785 11.9659 11.9659 12.9986 12.9986 14.6761 14.6761 14.9581 14.9581 15.3022 15.3022 15.3374 15.3374 k = 0.3750 0.2165 0.6124 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1566 -15.1566 -15.1514 -15.1514 -1.9081 -1.9081 -1.9003 -1.9003 -1.0772 -1.0772 -1.0589 -1.0589 -1.0422 -1.0422 6.4545 6.4545 7.8801 7.8801 8.5411 8.5411 9.3012 9.3012 9.3830 9.3830 9.4926 9.4926 9.6503 9.6503 9.7370 9.7370 9.9055 9.9055 9.9687 9.9687 9.9867 9.9867 10.0729 10.0729 10.6734 10.6734 11.9412 11.9412 12.9585 12.9585 14.6901 14.6901 14.9541 14.9541 15.2685 15.2685 15.3367 15.3367 k = 0.6250-0.0722 0.4082 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1566 -15.1566 -15.1514 -15.1514 -1.9081 -1.9081 -1.9003 -1.9003 -1.0772 -1.0772 -1.0589 -1.0589 -1.0422 -1.0422 6.4545 6.4545 7.8801 7.8801 8.5411 8.5411 9.3012 9.3012 9.3830 9.3830 9.4926 9.4926 9.6503 9.6503 9.7370 9.7370 9.9055 9.9055 9.9687 9.9687 9.9867 9.9867 10.0729 10.0729 10.6734 10.6734 11.9412 11.9412 12.9585 12.9585 14.6901 14.6901 14.9541 14.9541 15.2685 15.2685 15.3367 15.3367 k = 0.6181-0.0842 0.4082 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1566 -15.1566 -15.1513 -15.1513 -1.9087 -1.9087 -1.9002 -1.9002 -1.0780 -1.0780 -1.0590 -1.0590 -1.0417 -1.0417 6.4617 6.4617 7.8393 7.8393 8.5907 8.5907 9.3037 9.3037 9.3823 9.3823 9.5045 9.5045 9.6506 9.6506 9.7373 9.7373 9.9133 9.9133 9.9846 9.9846 9.9999 9.9999 10.0794 10.0794 10.6707 10.6707 11.8996 11.8996 12.8923 12.8923 14.7145 14.7145 14.9452 14.9452 15.2132 15.2132 15.3385 15.3385 k = 0.6111-0.0962 0.4082 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1567 -15.1567 -15.1513 -15.1513 -1.9092 -1.9092 -1.9000 -1.9000 -1.0788 -1.0788 -1.0592 -1.0592 -1.0411 -1.0411 6.4655 6.4655 7.8006 7.8006 8.6399 8.6399 9.3064 9.3064 9.3807 9.3807 9.5167 9.5167 9.6503 9.6503 9.7372 9.7372 9.9107 9.9107 10.0002 10.0002 10.0096 10.0096 10.1091 10.1091 10.6682 10.6682 11.8587 11.8587 12.8273 12.8273 14.7375 14.7375 14.9377 14.9377 15.1606 15.1606 15.3371 15.3371 k = 0.6042-0.1083 0.4082 ( 2656 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1568 -15.1568 -15.1512 -15.1512 -1.9098 -1.9098 -1.8999 -1.8999 -1.0797 -1.0797 -1.0593 -1.0593 -1.0406 -1.0406 6.4665 6.4665 7.7642 7.7642 8.6877 8.6877 9.3093 9.3093 9.3785 9.3785 9.5285 9.5285 9.6494 9.6494 9.7368 9.7368 9.9002 9.9002 10.0043 10.0043 10.0295 10.0295 10.1570 10.1570 10.6658 10.6658 11.8186 11.8186 12.7632 12.7632 14.7590 14.7590 14.9314 14.9314 15.1109 15.1109 15.3321 15.3321 k = 0.5972-0.1203 0.4082 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1569 -15.1569 -15.1511 -15.1511 -1.9103 -1.9103 -1.8997 -1.8997 -1.0805 -1.0805 -1.0594 -1.0594 -1.0401 -1.0401 6.4651 6.4651 7.7299 7.7299 8.7333 8.7333 9.3121 9.3121 9.3762 9.3762 9.5396 9.5396 9.6483 9.6483 9.7360 9.7360 9.8849 9.8849 10.0065 10.0065 10.0524 10.0524 10.2176 10.2176 10.6637 10.6637 11.7796 11.7796 12.6995 12.6995 14.7790 14.7790 14.9263 14.9263 15.0640 15.0640 15.3235 15.3235 k = 0.5903-0.1323 0.4082 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1570 -15.1570 -15.1510 -15.1510 -1.9108 -1.9108 -1.8996 -1.8996 -1.0813 -1.0813 -1.0596 -1.0596 -1.0396 -1.0396 6.4620 6.4620 7.6979 7.6979 8.7760 8.7760 9.3149 9.3149 9.3739 9.3739 9.5495 9.5495 9.6473 9.6473 9.7350 9.7350 9.8671 9.8671 10.0091 10.0091 10.0757 10.0757 10.2880 10.2880 10.6617 10.6617 11.7415 11.7415 12.6360 12.6360 14.7975 14.7975 14.9221 14.9221 15.0202 15.0202 15.3110 15.3110 k = 0.5833-0.1443 0.4082 ( 2654 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1570 -15.1570 -15.1509 -15.1509 -1.9114 -1.9114 -1.8995 -1.8995 -1.0821 -1.0821 -1.0597 -1.0597 -1.0391 -1.0391 6.4576 6.4576 7.6682 7.6682 8.8156 8.8156 9.3176 9.3176 9.3718 9.3718 9.5581 9.5581 9.6464 9.6464 9.7337 9.7337 9.8485 9.8485 10.0120 10.0120 10.0993 10.0993 10.3665 10.3665 10.6600 10.6600 11.7047 11.7047 12.5722 12.5722 14.8145 14.8145 14.9188 14.9188 14.9795 14.9795 15.2947 15.2947 k = 0.5764-0.1564 0.4082 ( 2658 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1571 -15.1571 -15.1508 -15.1508 -1.9119 -1.9119 -1.8994 -1.8994 -1.0829 -1.0829 -1.0599 -1.0599 -1.0386 -1.0386 6.4523 6.4523 7.6408 7.6408 8.8517 8.8517 9.3201 9.3201 9.3700 9.3700 9.5652 9.5652 9.6458 9.6458 9.7321 9.7321 9.8299 9.8299 10.0150 10.0150 10.1227 10.1227 10.4517 10.4517 10.6586 10.6586 11.6693 11.6693 12.5078 12.5078 14.8300 14.8300 14.9156 14.9156 14.9426 14.9426 15.2747 15.2747 k = 0.5694-0.1684 0.4082 ( 2666 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1572 -15.1572 -15.1507 -15.1507 -1.9125 -1.9125 -1.8994 -1.8994 -1.0837 -1.0837 -1.0601 -1.0601 -1.0382 -1.0382 6.4465 6.4465 7.6157 7.6157 8.8843 8.8843 9.3223 9.3223 9.3686 9.3686 9.5706 9.5706 9.6455 9.6455 9.7304 9.7304 9.8121 9.8121 10.0180 10.0180 10.1458 10.1458 10.5422 10.5422 10.6581 10.6581 11.6356 11.6356 12.4424 12.4424 14.8439 14.8439 14.9032 14.9032 14.9188 14.9188 15.2514 15.2514 k = 0.5625-0.1804 0.4082 ( 2662 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1573 -15.1573 -15.1506 -15.1506 -1.9129 -1.9129 -1.8992 -1.8992 -1.0844 -1.0844 -1.0602 -1.0602 -1.0378 -1.0378 6.4404 6.4404 7.5929 7.5929 8.9136 8.9136 9.3242 9.3242 9.3677 9.3677 9.5743 9.5743 9.6457 9.6457 9.7286 9.7286 9.7955 9.7955 10.0209 10.0209 10.1683 10.1683 10.6296 10.6296 10.6654 10.6654 11.6037 11.6037 12.3755 12.3755 14.8552 14.8552 14.8753 14.8753 14.9156 14.9156 15.2253 15.2253 k = 0.5556-0.1925 0.4082 ( 2658 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1573 -15.1573 -15.1505 -15.1505 -1.9133 -1.9133 -1.8991 -1.8991 -1.0850 -1.0850 -1.0603 -1.0603 -1.0373 -1.0373 6.4343 6.4343 7.5725 7.5725 8.9396 8.9396 9.3256 9.3256 9.3672 9.3672 9.5765 9.5765 9.6460 9.6460 9.7266 9.7266 9.7806 9.7806 10.0235 10.0235 10.1899 10.1899 10.6498 10.6498 10.7437 10.7437 11.5740 11.5740 12.3068 12.3068 14.8436 14.8436 14.8701 14.8701 14.9147 14.9147 15.1972 15.1972 k = 0.5486-0.2045 0.4082 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1574 -15.1574 -15.1504 -15.1504 -1.9138 -1.9138 -1.8992 -1.8992 -1.0857 -1.0857 -1.0605 -1.0605 -1.0372 -1.0372 6.4285 6.4285 7.5545 7.5545 8.9624 8.9624 9.3266 9.3266 9.3672 9.3672 9.5772 9.5772 9.6463 9.6463 9.7244 9.7244 9.7677 9.7677 10.0258 10.0258 10.2102 10.2102 10.6503 10.6503 10.8443 10.8443 11.5469 11.5469 12.2359 12.2359 14.8194 14.8194 14.8789 14.8789 14.9146 14.9146 15.1683 15.1683 k = 0.5417-0.2165 0.4082 ( 2674 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1575 -15.1575 -15.1504 -15.1504 -1.9142 -1.9142 -1.8991 -1.8991 -1.0862 -1.0862 -1.0607 -1.0607 -1.0369 -1.0369 6.4232 6.4232 7.5388 7.5388 8.9820 8.9820 9.3274 9.3274 9.3675 9.3675 9.5768 9.5768 9.6465 9.6465 9.7222 9.7222 9.7571 9.7571 10.0279 10.0279 10.2289 10.2289 10.6498 10.6498 10.9470 10.9470 11.5227 11.5227 12.1628 12.1628 14.7978 14.7978 14.8869 14.8869 14.9149 14.9149 15.1395 15.1395 k = 0.5347-0.2285 0.4082 ( 2678 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1575 -15.1575 -15.1503 -15.1503 -1.9145 -1.9145 -1.8991 -1.8991 -1.0867 -1.0867 -1.0608 -1.0608 -1.0367 -1.0367 6.4184 6.4184 7.5256 7.5256 8.9986 8.9986 9.3278 9.3278 9.3682 9.3682 9.5756 9.5756 9.6463 9.6463 9.7199 9.7199 9.7489 9.7489 10.0297 10.0297 10.2456 10.2456 10.6492 10.6492 11.0495 11.0495 11.5020 11.5020 12.0874 12.0874 14.7793 14.7793 14.8934 14.8934 14.9156 14.9156 15.1123 15.1123 k = 0.5278-0.2406 0.4082 ( 2670 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1576 -15.1576 -15.1502 -15.1502 -1.9147 -1.9147 -1.8991 -1.8991 -1.0869 -1.0869 -1.0608 -1.0608 -1.0364 -1.0364 6.4143 6.4143 7.5147 7.5147 9.0122 9.0122 9.3280 9.3280 9.3691 9.3691 9.5739 9.5739 9.6458 9.6458 9.7180 9.7180 9.7429 9.7429 10.0313 10.0313 10.2599 10.2599 10.6486 10.6486 11.1496 11.1496 11.4855 11.4855 12.0102 12.0102 14.7641 14.7641 14.8983 14.8983 14.9167 14.9167 15.0879 15.0879 k = 0.5208-0.2526 0.4082 ( 2678 PWs) bands (ev): -36.6552 -36.6552 -15.6574 -15.6574 -15.1576 -15.1576 -15.1502 -15.1502 -1.9149 -1.9149 -1.8991 -1.8991 -1.0873 -1.0873 -1.0609 -1.0609 -1.0363 -1.0363 6.4111 6.4111 7.5063 7.5063 9.0228 9.0228 9.3280 9.3280 9.3700 9.3700 9.5720 9.5720 9.6451 9.6451 9.7163 9.7163 9.7387 9.7387 10.0324 10.0324 10.2715 10.2715 10.6482 10.6482 11.2436 11.2436 11.4748 11.4748 11.9325 11.9325 14.7523 14.7523 14.9017 14.9017 14.9181 14.9181 15.0676 15.0676 k = 0.5139-0.2646 0.4082 ( 2690 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9152 -1.9152 -1.8992 -1.8992 -1.0876 -1.0876 -1.0611 -1.0611 -1.0364 -1.0364 6.4087 6.4087 7.5002 7.5002 9.0303 9.0303 9.3280 9.3280 9.3707 9.3707 9.5704 9.5704 9.6442 9.6442 9.7152 9.7152 9.7358 9.7358 10.0332 10.0332 10.2798 10.2798 10.6478 10.6478 11.3240 11.3240 11.4737 11.4737 11.8578 11.8578 14.7437 14.7437 14.9038 14.9038 14.9194 14.9194 15.0522 15.0522 k = 0.5069-0.2766 0.4082 ( 2698 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9154 -1.9154 -1.8992 -1.8992 -1.0878 -1.0878 -1.0612 -1.0612 -1.0364 -1.0364 6.4072 6.4072 7.4966 7.4966 9.0348 9.0348 9.3280 9.3280 9.3712 9.3712 9.5693 9.5693 9.6436 9.6436 9.7146 9.7146 9.7342 9.7342 10.0337 10.0337 10.2849 10.2849 10.6476 10.6476 11.3747 11.3747 11.4881 11.4881 11.7954 11.7954 14.7386 14.7386 14.9049 14.9049 14.9203 14.9203 15.0427 15.0427 k = 0.5000-0.2887 0.4082 ( 2698 PWs) bands (ev): -36.6552 -36.6552 -15.6575 -15.6575 -15.1577 -15.1577 -15.1502 -15.1502 -1.9154 -1.9154 -1.8992 -1.8992 -1.0879 -1.0879 -1.0612 -1.0612 -1.0364 -1.0364 6.4067 6.4067 7.4954 7.4954 9.0364 9.0364 9.3280 9.3280 9.3713 9.3713 9.5689 9.5689 9.6434 9.6434 9.7144 9.7144 9.7337 9.7337 10.0338 10.0338 10.2867 10.2867 10.6476 10.6476 11.3892 11.3892 11.5020 11.5020 11.7681 11.7681 14.7369 14.7369 14.9053 14.9053 14.9206 14.9206 15.0394 15.0394 Writing output data file ScInCu2.save init_run : 0.30s CPU 0.53s WALL ( 1 calls) electrons : 137.73s CPU 140.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 137.73s CPU 140.63s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 332 calls) cegterg : 123.81s CPU 125.60s WALL ( 335 calls) Called by sum_band: Called by *egterg: h_psi : 70.48s CPU 72.10s WALL ( 6205 calls) s_psi : 4.79s CPU 4.57s WALL ( 6205 calls) g_psi : 0.18s CPU 0.14s WALL ( 5538 calls) cdiaghg : 47.93s CPU 48.57s WALL ( 5870 calls) cegterg:over : 4.26s CPU 4.28s WALL ( 5538 calls) cegterg:upda : 3.12s CPU 3.06s WALL ( 5538 calls) cegterg:last : 1.98s CPU 2.01s WALL ( 999 calls) cdiaghg:chol : 2.64s CPU 2.66s WALL ( 5870 calls) cdiaghg:inve : 1.89s CPU 1.85s WALL ( 5870 calls) cdiaghg:para : 3.02s CPU 2.99s WALL ( 11740 calls) Called by h_psi: h_psi:vloc : 61.32s CPU 62.59s WALL ( 6205 calls) h_psi:vnl : 9.00s CPU 9.36s WALL ( 6205 calls) add_vuspsi : 4.82s CPU 5.11s WALL ( 6205 calls) General routines calbec : 4.15s CPU 4.23s WALL ( 6205 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 56.84s CPU 57.99s WALL ( 761180 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 664 calls) Parallel routines fft_scatter : 20.00s CPU 20.53s WALL ( 761203 calls) PWSCF : 2m32.86s CPU 2m55.93s WALL This run was terminated on: 17:34:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=